USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=15 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= -0.418 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 24 ASN :FLIP amide:sc= 0.319 F(o=-1.6,f=-0.91) USER MOD Set 2.2: A 28 ASN : amide:sc= -1.23 K(o=-0.91,f=-2.1!) USER MOD Single : A 16 THR OG1 : rot -120:sc= -0.899 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.438 F(o=-1.1,f=-0.44) USER MOD Single : A 34 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-3.2!) USER MOD Single : A 35 LYS NZ :NH3+ -106:sc= -0.314 (180deg=-1.35) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -2.73! F(o=-3.7,f=-2.7!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 90:sc= 0.789 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -3.51 K(o=-3.5,f=-4.7!) 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 -57:sc= 0.748 USER MOD Single : A 60 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 72 LYS NZ :NH3+ -151:sc= -0.616 (180deg=-2.17!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -2.213 -3.093 -8.443 1.00 0.00 N ATOM 184 CA GLY A 13 -1.098 -4.081 -8.533 1.00 0.00 C ATOM 185 C GLY A 13 0.250 -3.361 -8.682 1.00 0.00 C ATOM 186 O GLY A 13 1.295 -3.972 -8.561 1.00 0.00 O ATOM 0 HA2 GLY A 13 -1.086 -4.706 -7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.259 -4.743 -9.384 1.00 0.00 H new ATOM 190 N GLY A 14 0.243 -2.072 -8.940 1.00 0.00 N ATOM 191 CA GLY A 14 1.528 -1.329 -9.089 1.00 0.00 C ATOM 192 C GLY A 14 1.942 -0.782 -7.727 1.00 0.00 C ATOM 193 O GLY A 14 3.111 -0.731 -7.392 1.00 0.00 O ATOM 0 H GLY A 14 -0.599 -1.507 -9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.302 -1.989 -9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.412 -0.514 -9.803 1.00 0.00 H new ATOM 197 N ILE A 15 0.981 -0.377 -6.941 1.00 0.00 N ATOM 198 CA ILE A 15 1.290 0.170 -5.591 1.00 0.00 C ATOM 199 C ILE A 15 1.832 -0.952 -4.709 1.00 0.00 C ATOM 200 O ILE A 15 2.842 -0.802 -4.049 1.00 0.00 O ATOM 201 CB ILE A 15 0.016 0.735 -4.955 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.736 1.624 -5.967 1.00 0.00 C ATOM 203 CG2 ILE A 15 0.391 1.560 -3.723 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.105 1.009 -6.268 1.00 0.00 C ATOM 0 H ILE A 15 -0.011 -0.402 -7.179 1.00 0.00 H new ATOM 0 HA ILE A 15 2.031 0.964 -5.684 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.634 -0.089 -4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.858 2.629 -5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.157 1.717 -6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.513 1.964 -3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.908 0.925 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.046 2.380 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.637 1.637 -6.983 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.972 0.013 -6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.683 0.939 -5.347 1.00 0.00 H new ATOM 216 N THR A 16 1.162 -2.080 -4.694 1.00 0.00 N ATOM 217 CA THR A 16 1.625 -3.225 -3.854 1.00 0.00 C ATOM 218 C THR A 16 3.063 -3.600 -4.230 1.00 0.00 C ATOM 219 O THR A 16 3.816 -4.100 -3.416 1.00 0.00 O ATOM 220 CB THR A 16 0.707 -4.430 -4.076 1.00 0.00 C ATOM 221 OG1 THR A 16 1.209 -5.544 -3.352 1.00 0.00 O ATOM 222 CG2 THR A 16 0.649 -4.771 -5.567 1.00 0.00 C ATOM 0 H THR A 16 0.312 -2.255 -5.230 1.00 0.00 H new ATOM 0 HA THR A 16 1.594 -2.933 -2.804 1.00 0.00 H new ATOM 0 HB THR A 16 -0.297 -4.189 -3.726 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.409 -6.275 -3.973 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.006 -5.629 -5.719 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.261 -3.916 -6.121 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.650 -5.011 -5.925 1.00 0.00 H new ATOM 230 N ASP A 17 3.448 -3.353 -5.457 1.00 0.00 N ATOM 231 CA ASP A 17 4.836 -3.682 -5.893 1.00 0.00 C ATOM 232 C ASP A 17 5.826 -2.738 -5.204 1.00 0.00 C ATOM 233 O ASP A 17 6.975 -3.079 -4.997 1.00 0.00 O ATOM 234 CB ASP A 17 4.945 -3.518 -7.410 1.00 0.00 C ATOM 235 CG ASP A 17 4.444 -4.788 -8.100 1.00 0.00 C ATOM 236 OD1 ASP A 17 3.504 -5.379 -7.597 1.00 0.00 O ATOM 237 OD2 ASP A 17 5.010 -5.148 -9.119 1.00 0.00 O ATOM 0 H ASP A 17 2.857 -2.936 -6.177 1.00 0.00 H new ATOM 0 HA ASP A 17 5.068 -4.712 -5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.359 -2.659 -7.736 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.980 -3.323 -7.692 1.00 0.00 H new ATOM 242 N MET A 18 5.387 -1.555 -4.846 1.00 0.00 N ATOM 243 CA MET A 18 6.298 -0.587 -4.166 1.00 0.00 C ATOM 244 C MET A 18 6.228 -0.781 -2.646 1.00 0.00 C ATOM 245 O MET A 18 7.121 -0.376 -1.925 1.00 0.00 O ATOM 246 CB MET A 18 5.873 0.841 -4.517 1.00 0.00 C ATOM 247 CG MET A 18 6.555 1.273 -5.815 1.00 0.00 C ATOM 248 SD MET A 18 8.280 1.699 -5.478 1.00 0.00 S ATOM 249 CE MET A 18 8.677 2.355 -7.117 1.00 0.00 C ATOM 0 H MET A 18 4.436 -1.220 -4.997 1.00 0.00 H new ATOM 0 HA MET A 18 7.321 -0.760 -4.501 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.790 0.892 -4.629 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.143 1.521 -3.709 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.505 0.469 -6.550 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.035 2.130 -6.244 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.716 2.684 -7.135 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.529 1.577 -7.866 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.025 3.200 -7.338 1.00 0.00 H new ATOM 259 N LEU A 19 5.183 -1.407 -2.155 1.00 0.00 N ATOM 260 CA LEU A 19 5.065 -1.634 -0.688 1.00 0.00 C ATOM 261 C LEU A 19 5.793 -2.928 -0.338 1.00 0.00 C ATOM 262 O LEU A 19 6.375 -3.064 0.722 1.00 0.00 O ATOM 263 CB LEU A 19 3.587 -1.754 -0.303 1.00 0.00 C ATOM 264 CG LEU A 19 2.937 -0.360 -0.290 1.00 0.00 C ATOM 265 CD1 LEU A 19 2.014 -0.199 -1.505 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.121 -0.186 0.996 1.00 0.00 C ATOM 0 H LEU A 19 4.409 -1.769 -2.712 1.00 0.00 H new ATOM 0 HA LEU A 19 5.506 -0.799 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.069 -2.400 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.494 -2.218 0.679 1.00 0.00 H new ATOM 0 HG LEU A 19 3.720 0.397 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.558 0.791 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.594 -0.315 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.233 -0.959 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.661 0.802 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.343 -0.949 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.778 -0.288 1.860 1.00 0.00 H new ATOM 278 N VAL A 20 5.762 -3.877 -1.235 1.00 0.00 N ATOM 279 CA VAL A 20 6.446 -5.174 -0.993 1.00 0.00 C ATOM 280 C VAL A 20 7.955 -4.987 -1.184 1.00 0.00 C ATOM 281 O VAL A 20 8.756 -5.580 -0.487 1.00 0.00 O ATOM 282 CB VAL A 20 5.919 -6.205 -1.993 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.559 -7.561 -1.721 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.400 -6.325 -1.848 1.00 0.00 C ATOM 0 H VAL A 20 5.286 -3.805 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 20 6.252 -5.520 0.022 1.00 0.00 H new ATOM 0 HB VAL A 20 6.168 -5.884 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.181 -8.292 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.641 -7.480 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.314 -7.883 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.023 -7.059 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.155 -6.643 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.938 -5.358 -2.046 1.00 0.00 H new ATOM 294 N GLU A 21 8.342 -4.162 -2.125 1.00 0.00 N ATOM 295 CA GLU A 21 9.794 -3.926 -2.371 1.00 0.00 C ATOM 296 C GLU A 21 10.415 -3.260 -1.141 1.00 0.00 C ATOM 297 O GLU A 21 11.335 -3.786 -0.540 1.00 0.00 O ATOM 298 CB GLU A 21 9.964 -3.017 -3.593 1.00 0.00 C ATOM 299 CG GLU A 21 10.319 -3.861 -4.820 1.00 0.00 C ATOM 300 CD GLU A 21 9.136 -4.761 -5.182 1.00 0.00 C ATOM 301 OE1 GLU A 21 8.704 -5.513 -4.324 1.00 0.00 O ATOM 302 OE2 GLU A 21 8.681 -4.683 -6.311 1.00 0.00 O ATOM 0 H GLU A 21 7.711 -3.641 -2.734 1.00 0.00 H new ATOM 0 HA GLU A 21 10.293 -4.877 -2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.044 -2.462 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.748 -2.283 -3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.567 -3.213 -5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.201 -4.467 -4.614 1.00 0.00 H new ATOM 309 N LEU A 22 9.918 -2.107 -0.759 1.00 0.00 N ATOM 310 CA LEU A 22 10.483 -1.413 0.434 1.00 0.00 C ATOM 311 C LEU A 22 10.259 -2.282 1.676 1.00 0.00 C ATOM 312 O LEU A 22 11.040 -2.265 2.608 1.00 0.00 O ATOM 313 CB LEU A 22 9.810 -0.039 0.612 1.00 0.00 C ATOM 314 CG LEU A 22 8.324 -0.202 0.968 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.166 -0.329 2.489 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.549 1.023 0.481 1.00 0.00 C ATOM 0 H LEU A 22 9.149 -1.621 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 22 11.553 -1.257 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.318 0.521 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.907 0.540 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 22 7.935 -1.100 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.111 -0.444 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.719 -1.200 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.556 0.567 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.494 0.910 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.943 1.918 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.657 1.116 -0.600 1.00 0.00 H new ATOM 328 N ALA A 23 9.187 -3.045 1.692 1.00 0.00 N ATOM 329 CA ALA A 23 8.889 -3.925 2.869 1.00 0.00 C ATOM 330 C ALA A 23 10.119 -4.775 3.199 1.00 0.00 C ATOM 331 O ALA A 23 10.479 -4.946 4.349 1.00 0.00 O ATOM 332 CB ALA A 23 7.711 -4.841 2.533 1.00 0.00 C ATOM 0 H ALA A 23 8.504 -3.095 0.936 1.00 0.00 H new ATOM 0 HA ALA A 23 8.636 -3.306 3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.493 -5.482 3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.835 -4.236 2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.965 -5.459 1.672 1.00 0.00 H new ATOM 338 N ASN A 24 10.777 -5.284 2.189 1.00 0.00 N ATOM 339 CA ASN A 24 12.002 -6.096 2.426 1.00 0.00 C ATOM 340 C ASN A 24 13.089 -5.162 2.959 1.00 0.00 C ATOM 341 O ASN A 24 13.825 -5.500 3.863 1.00 0.00 O ATOM 342 CB ASN A 24 12.457 -6.733 1.105 1.00 0.00 C ATOM 343 CG ASN A 24 12.265 -8.251 1.168 1.00 0.00 C ATOM 344 OD1 ASN A 24 11.457 -8.831 0.322 1.00 0.00 O flip ATOM 345 ND2 ASN A 24 12.857 -8.916 1.995 1.00 0.00 N flip ATOM 0 H ASN A 24 10.516 -5.170 1.210 1.00 0.00 H new ATOM 0 HA ASN A 24 11.804 -6.891 3.145 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.885 -6.319 0.275 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.505 -6.497 0.919 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.488 -8.464 2.656 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.723 -9.927 2.028 1.00 0.00 H new ATOM 352 N PHE A 25 13.172 -3.977 2.409 1.00 0.00 N ATOM 353 CA PHE A 25 14.191 -2.991 2.876 1.00 0.00 C ATOM 354 C PHE A 25 13.913 -2.625 4.330 1.00 0.00 C ATOM 355 O PHE A 25 14.816 -2.322 5.085 1.00 0.00 O ATOM 356 CB PHE A 25 14.103 -1.730 2.010 1.00 0.00 C ATOM 357 CG PHE A 25 15.285 -0.837 2.294 1.00 0.00 C ATOM 358 CD1 PHE A 25 16.566 -1.216 1.877 1.00 0.00 C ATOM 359 CD2 PHE A 25 15.100 0.373 2.975 1.00 0.00 C ATOM 360 CE1 PHE A 25 17.663 -0.386 2.140 1.00 0.00 C ATOM 361 CE2 PHE A 25 16.195 1.203 3.238 1.00 0.00 C ATOM 362 CZ PHE A 25 17.478 0.823 2.820 1.00 0.00 C ATOM 0 H PHE A 25 12.573 -3.649 1.651 1.00 0.00 H new ATOM 0 HA PHE A 25 15.187 -3.426 2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.085 -2.002 0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.174 -1.198 2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.709 -2.149 1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.111 0.665 3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 25 18.651 -0.679 1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 25 16.052 2.136 3.763 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.324 1.463 3.023 1.00 0.00 H new ATOM 372 N GLU A 26 12.669 -2.648 4.726 1.00 0.00 N ATOM 373 CA GLU A 26 12.322 -2.301 6.130 1.00 0.00 C ATOM 374 C GLU A 26 12.679 -3.477 7.043 1.00 0.00 C ATOM 375 O GLU A 26 13.442 -3.336 7.980 1.00 0.00 O ATOM 376 CB GLU A 26 10.822 -2.003 6.214 1.00 0.00 C ATOM 377 CG GLU A 26 10.601 -0.488 6.219 1.00 0.00 C ATOM 378 CD GLU A 26 10.748 0.071 4.801 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.640 -0.370 4.099 1.00 0.00 O ATOM 380 OE2 GLU A 26 9.966 0.939 4.447 1.00 0.00 O ATOM 0 H GLU A 26 11.876 -2.894 4.133 1.00 0.00 H new ATOM 0 HA GLU A 26 12.881 -1.421 6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.303 -2.454 5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.403 -2.445 7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.609 -0.259 6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.321 -0.010 6.883 1.00 0.00 H new ATOM 387 N LYS A 27 12.139 -4.636 6.772 1.00 0.00 N ATOM 388 CA LYS A 27 12.445 -5.830 7.619 1.00 0.00 C ATOM 389 C LYS A 27 13.943 -6.144 7.549 1.00 0.00 C ATOM 390 O LYS A 27 14.583 -6.367 8.559 1.00 0.00 O ATOM 391 CB LYS A 27 11.652 -7.037 7.114 1.00 0.00 C ATOM 392 CG LYS A 27 11.811 -8.200 8.094 1.00 0.00 C ATOM 393 CD LYS A 27 11.219 -9.470 7.481 1.00 0.00 C ATOM 394 CE LYS A 27 12.315 -10.239 6.743 1.00 0.00 C ATOM 395 NZ LYS A 27 11.864 -11.639 6.504 1.00 0.00 N ATOM 0 H LYS A 27 11.497 -4.809 5.998 1.00 0.00 H new ATOM 0 HA LYS A 27 12.166 -5.616 8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.599 -6.776 7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.006 -7.330 6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.865 -8.353 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.309 -7.969 9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.784 -10.095 8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.414 -9.213 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.541 -9.751 5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.234 -10.237 7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.609 -12.163 6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.670 -12.101 7.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.998 -11.631 5.928 1.00 0.00 H new ATOM 409 N ASN A 28 14.508 -6.162 6.364 1.00 0.00 N ATOM 410 CA ASN A 28 15.970 -6.458 6.224 1.00 0.00 C ATOM 411 C ASN A 28 16.787 -5.464 7.059 1.00 0.00 C ATOM 412 O ASN A 28 17.912 -5.737 7.434 1.00 0.00 O ATOM 413 CB ASN A 28 16.383 -6.347 4.755 1.00 0.00 C ATOM 414 CG ASN A 28 15.818 -7.532 3.969 1.00 0.00 C ATOM 415 OD1 ASN A 28 15.197 -7.355 2.941 1.00 0.00 O ATOM 416 ND2 ASN A 28 16.012 -8.746 4.411 1.00 0.00 N ATOM 0 H ASN A 28 14.019 -5.984 5.487 1.00 0.00 H new ATOM 0 HA ASN A 28 16.161 -7.471 6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 28 16.016 -5.411 4.334 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.470 -6.329 4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.642 -9.543 3.893 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.533 -8.897 5.274 1.00 0.00 H new ATOM 423 N VAL A 29 16.224 -4.319 7.359 1.00 0.00 N ATOM 424 CA VAL A 29 16.953 -3.311 8.176 1.00 0.00 C ATOM 425 C VAL A 29 16.659 -3.596 9.659 1.00 0.00 C ATOM 426 O VAL A 29 15.767 -4.355 9.986 1.00 0.00 O ATOM 427 CB VAL A 29 16.484 -1.903 7.759 1.00 0.00 C ATOM 428 CG1 VAL A 29 16.936 -0.842 8.775 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.088 -1.565 6.395 1.00 0.00 C ATOM 0 H VAL A 29 15.286 -4.042 7.070 1.00 0.00 H new ATOM 0 HA VAL A 29 18.030 -3.367 8.018 1.00 0.00 H new ATOM 0 HB VAL A 29 15.395 -1.901 7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.590 0.140 8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 29 16.515 -1.073 9.754 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.024 -0.840 8.840 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.763 -0.570 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.176 -1.586 6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.756 -2.297 5.659 1.00 0.00 H new ATOM 439 N SER A 30 17.426 -3.019 10.546 1.00 0.00 N ATOM 440 CA SER A 30 17.226 -3.278 12.003 1.00 0.00 C ATOM 441 C SER A 30 16.022 -2.502 12.549 1.00 0.00 C ATOM 442 O SER A 30 15.011 -3.083 12.899 1.00 0.00 O ATOM 443 CB SER A 30 18.484 -2.852 12.758 1.00 0.00 C ATOM 444 OG SER A 30 18.313 -3.118 14.144 1.00 0.00 O ATOM 0 H SER A 30 18.186 -2.376 10.323 1.00 0.00 H new ATOM 0 HA SER A 30 17.035 -4.342 12.142 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.351 -3.391 12.377 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.675 -1.790 12.601 1.00 0.00 H new ATOM 0 HG SER A 30 19.119 -2.847 14.631 1.00 0.00 H new ATOM 450 N GLN A 31 16.133 -1.202 12.655 1.00 0.00 N ATOM 451 CA GLN A 31 15.008 -0.392 13.216 1.00 0.00 C ATOM 452 C GLN A 31 13.942 -0.128 12.145 1.00 0.00 C ATOM 453 O GLN A 31 13.669 1.005 11.792 1.00 0.00 O ATOM 454 CB GLN A 31 15.558 0.939 13.740 1.00 0.00 C ATOM 455 CG GLN A 31 16.162 0.730 15.130 1.00 0.00 C ATOM 456 CD GLN A 31 15.057 0.351 16.118 1.00 0.00 C ATOM 457 OE1 GLN A 31 14.820 -0.910 16.362 1.00 0.00 O flip ATOM 458 NE2 GLN A 31 14.402 1.211 16.675 1.00 0.00 N flip ATOM 0 H GLN A 31 16.955 -0.666 12.377 1.00 0.00 H new ATOM 0 HA GLN A 31 14.544 -0.948 14.031 1.00 0.00 H new ATOM 0 HB2 GLN A 31 16.315 1.326 13.057 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.761 1.681 13.786 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.917 -0.055 15.095 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.663 1.640 15.461 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.587 2.196 16.485 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.668 0.947 17.332 1.00 0.00 H new ATOM 467 N ALA A 32 13.325 -1.167 11.636 1.00 0.00 N ATOM 468 CA ALA A 32 12.264 -0.975 10.606 1.00 0.00 C ATOM 469 C ALA A 32 11.247 -2.117 10.691 1.00 0.00 C ATOM 470 O ALA A 32 10.609 -2.462 9.715 1.00 0.00 O ATOM 471 CB ALA A 32 12.899 -0.953 9.217 1.00 0.00 C ATOM 0 H ALA A 32 13.512 -2.137 11.891 1.00 0.00 H new ATOM 0 HA ALA A 32 11.754 -0.028 10.786 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.123 -0.813 8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.615 -0.133 9.157 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.413 -1.897 9.037 1.00 0.00 H new ATOM 477 N ILE A 33 11.088 -2.701 11.853 1.00 0.00 N ATOM 478 CA ILE A 33 10.109 -3.817 12.008 1.00 0.00 C ATOM 479 C ILE A 33 8.704 -3.224 12.205 1.00 0.00 C ATOM 480 O ILE A 33 7.718 -3.807 11.806 1.00 0.00 O ATOM 481 CB ILE A 33 10.570 -4.729 13.190 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.787 -6.161 12.678 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.557 -4.765 14.347 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.839 -6.166 11.565 1.00 0.00 C ATOM 0 H ILE A 33 11.596 -2.451 12.702 1.00 0.00 H new ATOM 0 HA ILE A 33 10.067 -4.444 11.117 1.00 0.00 H new ATOM 0 HB ILE A 33 11.497 -4.305 13.575 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.109 -6.804 13.497 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.848 -6.568 12.304 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.932 -5.414 15.138 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.417 -3.758 14.740 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.603 -5.149 13.984 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.986 -7.185 11.208 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.500 -5.538 10.741 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.781 -5.778 11.953 1.00 0.00 H new ATOM 496 N HIS A 34 8.618 -2.067 12.804 1.00 0.00 N ATOM 497 CA HIS A 34 7.280 -1.419 13.010 1.00 0.00 C ATOM 498 C HIS A 34 6.751 -0.973 11.647 1.00 0.00 C ATOM 499 O HIS A 34 5.598 -1.186 11.302 1.00 0.00 O ATOM 500 CB HIS A 34 7.400 -0.194 13.941 1.00 0.00 C ATOM 501 CG HIS A 34 8.632 0.613 13.608 1.00 0.00 C ATOM 502 ND1 HIS A 34 9.850 0.380 14.226 1.00 0.00 N ATOM 503 CD2 HIS A 34 8.858 1.632 12.713 1.00 0.00 C ATOM 504 CE1 HIS A 34 10.744 1.236 13.701 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.191 2.024 12.775 1.00 0.00 N ATOM 0 H HIS A 34 9.414 -1.538 13.161 1.00 0.00 H new ATOM 0 HA HIS A 34 6.600 -2.133 13.475 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.513 0.431 13.843 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.445 -0.523 14.979 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.035 -0.315 14.949 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.113 2.063 12.060 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.783 1.281 13.993 1.00 0.00 H new ATOM 513 N LYS A 35 7.603 -0.373 10.862 1.00 0.00 N ATOM 514 CA LYS A 35 7.190 0.083 9.506 1.00 0.00 C ATOM 515 C LYS A 35 7.103 -1.129 8.568 1.00 0.00 C ATOM 516 O LYS A 35 6.433 -1.087 7.555 1.00 0.00 O ATOM 517 CB LYS A 35 8.192 1.110 8.959 1.00 0.00 C ATOM 518 CG LYS A 35 9.633 0.599 9.091 1.00 0.00 C ATOM 519 CD LYS A 35 10.591 1.646 8.516 1.00 0.00 C ATOM 520 CE LYS A 35 10.547 2.914 9.374 1.00 0.00 C ATOM 521 NZ LYS A 35 9.643 3.913 8.739 1.00 0.00 N ATOM 0 H LYS A 35 8.574 -0.178 11.104 1.00 0.00 H new ATOM 0 HA LYS A 35 6.212 0.561 9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.971 1.317 7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.085 2.051 9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.870 0.408 10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.747 -0.346 8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.606 1.249 8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.314 1.881 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.194 2.675 10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.549 3.330 9.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.211 4.671 8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.073 3.448 8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.013 4.319 9.460 1.00 0.00 H new ATOM 535 N TYR A 36 7.757 -2.217 8.910 1.00 0.00 N ATOM 536 CA TYR A 36 7.698 -3.444 8.059 1.00 0.00 C ATOM 537 C TYR A 36 6.231 -3.883 7.924 1.00 0.00 C ATOM 538 O TYR A 36 5.697 -3.967 6.835 1.00 0.00 O ATOM 539 CB TYR A 36 8.539 -4.547 8.734 1.00 0.00 C ATOM 540 CG TYR A 36 8.346 -5.891 8.054 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.286 -5.983 6.657 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.231 -7.047 8.836 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.111 -7.230 6.046 1.00 0.00 C ATOM 544 CE2 TYR A 36 8.057 -8.292 8.225 1.00 0.00 C ATOM 545 CZ TYR A 36 7.996 -8.385 6.829 1.00 0.00 C ATOM 546 OH TYR A 36 7.823 -9.614 6.226 1.00 0.00 O ATOM 0 H TYR A 36 8.332 -2.304 9.748 1.00 0.00 H new ATOM 0 HA TYR A 36 8.098 -3.250 7.064 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.593 -4.271 8.704 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.260 -4.627 9.785 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.375 -5.093 6.052 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.277 -6.976 9.913 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.065 -7.301 4.969 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.970 -9.183 8.830 1.00 0.00 H new ATOM 0 HH TYR A 36 7.763 -10.310 6.913 1.00 0.00 H new ATOM 556 N ASN A 37 5.579 -4.147 9.030 1.00 0.00 N ATOM 557 CA ASN A 37 4.143 -4.563 8.988 1.00 0.00 C ATOM 558 C ASN A 37 3.322 -3.481 8.278 1.00 0.00 C ATOM 559 O ASN A 37 2.315 -3.760 7.655 1.00 0.00 O ATOM 560 CB ASN A 37 3.626 -4.742 10.416 1.00 0.00 C ATOM 561 CG ASN A 37 3.867 -3.462 11.219 1.00 0.00 C ATOM 562 OD1 ASN A 37 3.102 -2.424 11.017 1.00 0.00 O flip ATOM 563 ND2 ASN A 37 4.760 -3.407 12.041 1.00 0.00 N flip ATOM 0 H ASN A 37 5.983 -4.092 9.965 1.00 0.00 H new ATOM 0 HA ASN A 37 4.049 -5.504 8.447 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.562 -4.977 10.400 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.131 -5.582 10.893 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.358 -4.218 12.199 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.912 -2.550 12.573 1.00 0.00 H new ATOM 570 N ALA A 38 3.762 -2.247 8.358 1.00 0.00 N ATOM 571 CA ALA A 38 3.034 -1.123 7.678 1.00 0.00 C ATOM 572 C ALA A 38 2.762 -1.479 6.210 1.00 0.00 C ATOM 573 O ALA A 38 1.629 -1.526 5.767 1.00 0.00 O ATOM 574 CB ALA A 38 3.909 0.132 7.724 1.00 0.00 C ATOM 0 H ALA A 38 4.600 -1.967 8.868 1.00 0.00 H new ATOM 0 HA ALA A 38 2.087 -0.950 8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.390 0.955 7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.110 0.397 8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.850 -0.062 7.210 1.00 0.00 H new ATOM 580 N TYR A 39 3.801 -1.722 5.458 1.00 0.00 N ATOM 581 CA TYR A 39 3.630 -2.060 4.015 1.00 0.00 C ATOM 582 C TYR A 39 3.292 -3.543 3.858 1.00 0.00 C ATOM 583 O TYR A 39 2.660 -3.941 2.899 1.00 0.00 O ATOM 584 CB TYR A 39 4.927 -1.746 3.260 1.00 0.00 C ATOM 585 CG TYR A 39 5.354 -0.324 3.551 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.136 -0.045 4.679 1.00 0.00 C ATOM 587 CD2 TYR A 39 4.970 0.713 2.694 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.532 1.269 4.950 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.367 2.028 2.965 1.00 0.00 C ATOM 590 CZ TYR A 39 6.147 2.306 4.093 1.00 0.00 C ATOM 591 OH TYR A 39 6.538 3.602 4.360 1.00 0.00 O ATOM 0 H TYR A 39 4.768 -1.701 5.783 1.00 0.00 H new ATOM 0 HA TYR A 39 2.814 -1.466 3.604 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.712 -2.440 3.561 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.777 -1.879 2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.434 -0.845 5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.367 0.499 1.824 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.135 1.483 5.820 1.00 0.00 H new ATOM 0 HE2 TYR A 39 5.071 2.828 2.303 1.00 0.00 H new ATOM 0 HH TYR A 39 6.187 4.199 3.666 1.00 0.00 H new ATOM 601 N ARG A 40 3.707 -4.365 4.790 1.00 0.00 N ATOM 602 CA ARG A 40 3.410 -5.825 4.691 1.00 0.00 C ATOM 603 C ARG A 40 1.895 -6.047 4.724 1.00 0.00 C ATOM 604 O ARG A 40 1.364 -6.871 4.002 1.00 0.00 O ATOM 605 CB ARG A 40 4.060 -6.560 5.868 1.00 0.00 C ATOM 606 CG ARG A 40 4.572 -7.926 5.403 1.00 0.00 C ATOM 607 CD ARG A 40 3.389 -8.804 4.990 1.00 0.00 C ATOM 608 NE ARG A 40 3.680 -10.229 5.334 1.00 0.00 N ATOM 609 CZ ARG A 40 4.535 -10.946 4.629 1.00 0.00 C ATOM 610 NH1 ARG A 40 5.169 -10.440 3.596 1.00 0.00 N ATOM 611 NH2 ARG A 40 4.755 -12.187 4.967 1.00 0.00 N ATOM 0 H ARG A 40 4.239 -4.087 5.615 1.00 0.00 H new ATOM 0 HA ARG A 40 3.811 -6.212 3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.884 -5.969 6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.337 -6.687 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.257 -7.803 4.564 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.133 -8.407 6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.483 -8.474 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.207 -8.707 3.920 1.00 0.00 H new ATOM 0 HE ARG A 40 3.208 -10.657 6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.006 -9.471 3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.825 -11.016 3.068 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.269 -12.591 5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.413 -12.753 4.431 1.00 0.00 H new ATOM 625 N LYS A 41 1.198 -5.319 5.559 1.00 0.00 N ATOM 626 CA LYS A 41 -0.283 -5.481 5.650 1.00 0.00 C ATOM 627 C LYS A 41 -0.959 -4.748 4.489 1.00 0.00 C ATOM 628 O LYS A 41 -1.795 -5.300 3.799 1.00 0.00 O ATOM 629 CB LYS A 41 -0.778 -4.899 6.975 1.00 0.00 C ATOM 630 CG LYS A 41 -0.360 -5.817 8.126 1.00 0.00 C ATOM 631 CD LYS A 41 -0.239 -4.998 9.413 1.00 0.00 C ATOM 632 CE LYS A 41 -1.556 -5.067 10.188 1.00 0.00 C ATOM 633 NZ LYS A 41 -1.553 -6.271 11.067 1.00 0.00 N ATOM 0 H LYS A 41 1.594 -4.617 6.184 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.531 -6.541 5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.364 -3.902 7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.863 -4.794 6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.094 -6.612 8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.592 -6.296 7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.576 -5.382 10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.002 -3.962 9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.685 -4.166 10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.396 -5.112 9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.448 -6.318 11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.449 -7.126 10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.760 -6.210 11.737 1.00 0.00 H new ATOM 647 N ALA A 42 -0.606 -3.506 4.274 1.00 0.00 N ATOM 648 CA ALA A 42 -1.228 -2.724 3.163 1.00 0.00 C ATOM 649 C ALA A 42 -0.916 -3.390 1.820 1.00 0.00 C ATOM 650 O ALA A 42 -1.728 -3.386 0.914 1.00 0.00 O ATOM 651 CB ALA A 42 -0.668 -1.301 3.166 1.00 0.00 C ATOM 0 H ALA A 42 0.089 -2.998 4.822 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.308 -2.694 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.121 -0.730 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.895 -0.823 4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.412 -1.335 3.026 1.00 0.00 H new ATOM 657 N ALA A 43 0.255 -3.958 1.686 1.00 0.00 N ATOM 658 CA ALA A 43 0.626 -4.622 0.401 1.00 0.00 C ATOM 659 C ALA A 43 -0.180 -5.911 0.235 1.00 0.00 C ATOM 660 O ALA A 43 -0.485 -6.320 -0.869 1.00 0.00 O ATOM 661 CB ALA A 43 2.119 -4.956 0.411 1.00 0.00 C ATOM 0 H ALA A 43 0.971 -3.990 2.412 1.00 0.00 H new ATOM 0 HA ALA A 43 0.407 -3.949 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.390 -5.441 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.696 -4.039 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.336 -5.627 1.242 1.00 0.00 H new ATOM 667 N SER A 44 -0.520 -6.556 1.322 1.00 0.00 N ATOM 668 CA SER A 44 -1.299 -7.826 1.232 1.00 0.00 C ATOM 669 C SER A 44 -2.783 -7.515 1.011 1.00 0.00 C ATOM 670 O SER A 44 -3.432 -8.121 0.180 1.00 0.00 O ATOM 671 CB SER A 44 -1.136 -8.615 2.532 1.00 0.00 C ATOM 672 OG SER A 44 0.200 -9.094 2.624 1.00 0.00 O ATOM 0 H SER A 44 -0.291 -6.256 2.270 1.00 0.00 H new ATOM 0 HA SER A 44 -0.927 -8.415 0.394 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.367 -7.981 3.388 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.837 -9.450 2.555 1.00 0.00 H new ATOM 0 HG SER A 44 0.755 -8.430 3.084 1.00 0.00 H new ATOM 678 N VAL A 45 -3.322 -6.583 1.755 1.00 0.00 N ATOM 679 CA VAL A 45 -4.767 -6.235 1.600 1.00 0.00 C ATOM 680 C VAL A 45 -5.012 -5.620 0.214 1.00 0.00 C ATOM 681 O VAL A 45 -5.985 -5.936 -0.445 1.00 0.00 O ATOM 682 CB VAL A 45 -5.173 -5.243 2.702 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.341 -3.962 2.591 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.662 -4.896 2.568 1.00 0.00 C ATOM 0 H VAL A 45 -2.823 -6.047 2.465 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.371 -7.138 1.691 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.993 -5.705 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.637 -3.267 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.284 -4.204 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.509 -3.502 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.944 -4.193 3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.844 -4.445 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.257 -5.804 2.664 1.00 0.00 H new ATOM 694 N ILE A 46 -4.146 -4.743 -0.225 1.00 0.00 N ATOM 695 CA ILE A 46 -4.332 -4.101 -1.560 1.00 0.00 C ATOM 696 C ILE A 46 -3.997 -5.102 -2.672 1.00 0.00 C ATOM 697 O ILE A 46 -4.593 -5.081 -3.733 1.00 0.00 O ATOM 698 CB ILE A 46 -3.419 -2.874 -1.664 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.736 -1.912 -0.515 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.657 -2.160 -2.997 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.713 -0.775 -0.496 1.00 0.00 C ATOM 0 H ILE A 46 -3.316 -4.443 0.286 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.370 -3.789 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.378 -3.193 -1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.741 -1.507 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.718 -2.446 0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.005 -1.289 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.438 -2.842 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.697 -1.840 -3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.942 -0.093 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.714 -1.187 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.753 -0.234 -1.441 1.00 0.00 H new ATOM 713 N ALA A 47 -3.049 -5.975 -2.440 1.00 0.00 N ATOM 714 CA ALA A 47 -2.674 -6.976 -3.484 1.00 0.00 C ATOM 715 C ALA A 47 -3.763 -8.049 -3.601 1.00 0.00 C ATOM 716 O ALA A 47 -3.882 -8.707 -4.618 1.00 0.00 O ATOM 717 CB ALA A 47 -1.350 -7.641 -3.102 1.00 0.00 C ATOM 0 H ALA A 47 -2.518 -6.037 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.569 -6.466 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.077 -8.371 -3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.570 -6.883 -3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.459 -8.143 -2.141 1.00 0.00 H new ATOM 723 N LYS A 48 -4.554 -8.235 -2.572 1.00 0.00 N ATOM 724 CA LYS A 48 -5.631 -9.268 -2.628 1.00 0.00 C ATOM 725 C LYS A 48 -6.996 -8.604 -2.419 1.00 0.00 C ATOM 726 O LYS A 48 -7.932 -9.227 -1.955 1.00 0.00 O ATOM 727 CB LYS A 48 -5.393 -10.304 -1.524 1.00 0.00 C ATOM 728 CG LYS A 48 -5.691 -11.708 -2.058 1.00 0.00 C ATOM 729 CD LYS A 48 -7.181 -11.827 -2.386 1.00 0.00 C ATOM 730 CE LYS A 48 -7.472 -13.220 -2.945 1.00 0.00 C ATOM 731 NZ LYS A 48 -8.936 -13.365 -3.184 1.00 0.00 N ATOM 0 H LYS A 48 -4.499 -7.715 -1.696 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.615 -9.757 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.361 -10.248 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.030 -10.088 -0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.095 -11.903 -2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.410 -12.457 -1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.776 -11.652 -1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.466 -11.066 -3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.924 -13.372 -3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.130 -13.983 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.133 -14.313 -3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.448 -13.238 -2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.249 -12.646 -3.867 1.00 0.00 H new ATOM 745 N TYR A 49 -7.111 -7.346 -2.757 1.00 0.00 N ATOM 746 CA TYR A 49 -8.409 -6.633 -2.581 1.00 0.00 C ATOM 747 C TYR A 49 -9.329 -6.958 -3.772 1.00 0.00 C ATOM 748 O TYR A 49 -8.858 -7.045 -4.889 1.00 0.00 O ATOM 749 CB TYR A 49 -8.142 -5.121 -2.527 1.00 0.00 C ATOM 750 CG TYR A 49 -9.240 -4.413 -1.756 1.00 0.00 C ATOM 751 CD1 TYR A 49 -9.667 -4.904 -0.516 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.822 -3.254 -2.285 1.00 0.00 C ATOM 753 CE1 TYR A 49 -10.676 -4.241 0.192 1.00 0.00 C ATOM 754 CE2 TYR A 49 -10.831 -2.591 -1.576 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.257 -3.084 -0.337 1.00 0.00 C ATOM 756 OH TYR A 49 -12.252 -2.430 0.361 1.00 0.00 O ATOM 0 H TYR A 49 -6.358 -6.780 -3.149 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.891 -6.951 -1.657 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.178 -4.933 -2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.084 -4.720 -3.539 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.217 -5.796 -0.105 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.492 -2.872 -3.240 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.006 -4.623 1.147 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.281 -1.699 -1.985 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.119 -2.564 1.323 1.00 0.00 H new ATOM 766 N PRO A 50 -10.616 -7.131 -3.520 1.00 0.00 N ATOM 767 CA PRO A 50 -11.620 -7.451 -4.583 1.00 0.00 C ATOM 768 C PRO A 50 -12.146 -6.175 -5.248 1.00 0.00 C ATOM 769 O PRO A 50 -13.093 -6.219 -6.011 1.00 0.00 O ATOM 770 CB PRO A 50 -12.735 -8.150 -3.817 1.00 0.00 C ATOM 771 CG PRO A 50 -12.645 -7.694 -2.371 1.00 0.00 C ATOM 772 CD PRO A 50 -11.279 -7.035 -2.170 1.00 0.00 C ATOM 0 HA PRO A 50 -11.202 -8.057 -5.387 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.708 -7.898 -4.239 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.628 -9.233 -3.886 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.445 -6.990 -2.142 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.763 -8.541 -1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.381 -5.998 -1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.698 -7.549 -1.404 1.00 0.00 H new ATOM 780 N HIS A 51 -11.553 -5.037 -4.962 1.00 0.00 N ATOM 781 CA HIS A 51 -12.046 -3.770 -5.584 1.00 0.00 C ATOM 782 C HIS A 51 -10.869 -2.823 -5.823 1.00 0.00 C ATOM 783 O HIS A 51 -9.747 -3.110 -5.449 1.00 0.00 O ATOM 784 CB HIS A 51 -13.070 -3.106 -4.650 1.00 0.00 C ATOM 785 CG HIS A 51 -14.067 -4.136 -4.183 1.00 0.00 C ATOM 786 ND1 HIS A 51 -15.035 -4.664 -5.023 1.00 0.00 N ATOM 787 CD2 HIS A 51 -14.232 -4.771 -2.977 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.730 -5.575 -4.317 1.00 0.00 C ATOM 789 NE2 HIS A 51 -15.284 -5.677 -3.064 1.00 0.00 N ATOM 0 H HIS A 51 -10.758 -4.934 -4.331 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.522 -3.994 -6.538 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.562 -2.661 -3.794 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.583 -2.298 -5.171 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.635 -4.594 -2.094 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.550 -6.154 -4.717 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.638 -6.288 -2.328 1.00 0.00 H new ATOM 797 N LYS A 52 -11.117 -1.702 -6.451 1.00 0.00 N ATOM 798 CA LYS A 52 -10.016 -0.733 -6.727 1.00 0.00 C ATOM 799 C LYS A 52 -9.966 0.319 -5.619 1.00 0.00 C ATOM 800 O LYS A 52 -10.763 0.305 -4.699 1.00 0.00 O ATOM 801 CB LYS A 52 -10.267 -0.047 -8.071 1.00 0.00 C ATOM 802 CG LYS A 52 -9.999 -1.037 -9.207 1.00 0.00 C ATOM 803 CD LYS A 52 -10.963 -0.761 -10.363 1.00 0.00 C ATOM 804 CE LYS A 52 -10.413 -1.385 -11.647 1.00 0.00 C ATOM 805 NZ LYS A 52 -9.558 -0.391 -12.355 1.00 0.00 N ATOM 0 H LYS A 52 -12.037 -1.416 -6.785 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.066 -1.266 -6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.295 0.312 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.620 0.824 -8.173 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.968 -0.944 -9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.125 -2.059 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.946 -1.175 -10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.092 0.313 -10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.833 -2.277 -11.411 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.234 -1.700 -12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.184 -0.814 -13.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.125 0.448 -12.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.768 -0.112 -11.739 1.00 0.00 H new ATOM 819 N ILE A 53 -9.031 1.231 -5.702 1.00 0.00 N ATOM 820 CA ILE A 53 -8.915 2.291 -4.659 1.00 0.00 C ATOM 821 C ILE A 53 -8.703 3.647 -5.336 1.00 0.00 C ATOM 822 O ILE A 53 -7.627 3.949 -5.815 1.00 0.00 O ATOM 823 CB ILE A 53 -7.724 1.983 -3.749 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.869 0.566 -3.187 1.00 0.00 C ATOM 825 CG2 ILE A 53 -7.686 2.987 -2.595 1.00 0.00 C ATOM 826 CD1 ILE A 53 -6.607 0.197 -2.406 1.00 0.00 C ATOM 0 H ILE A 53 -8.341 1.286 -6.451 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.828 2.319 -4.064 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.800 2.057 -4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.742 0.508 -2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.028 -0.144 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.837 2.766 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.585 3.996 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.609 2.915 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.709 -0.812 -2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.743 0.238 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.468 0.901 -1.586 1.00 0.00 H new ATOM 838 N LYS A 54 -9.726 4.462 -5.376 1.00 0.00 N ATOM 839 CA LYS A 54 -9.598 5.802 -6.019 1.00 0.00 C ATOM 840 C LYS A 54 -9.156 6.829 -4.976 1.00 0.00 C ATOM 841 O LYS A 54 -8.192 7.545 -5.167 1.00 0.00 O ATOM 842 CB LYS A 54 -10.950 6.219 -6.602 1.00 0.00 C ATOM 843 CG LYS A 54 -11.447 5.137 -7.565 1.00 0.00 C ATOM 844 CD LYS A 54 -12.945 5.325 -7.814 1.00 0.00 C ATOM 845 CE LYS A 54 -13.152 6.324 -8.954 1.00 0.00 C ATOM 846 NZ LYS A 54 -14.592 6.699 -9.031 1.00 0.00 N ATOM 0 H LYS A 54 -10.647 4.255 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.857 5.752 -6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.673 6.367 -5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.854 7.170 -7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.901 5.194 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.258 4.148 -7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.405 4.370 -8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.433 5.685 -6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.542 7.212 -8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.828 5.887 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.733 7.378 -9.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.163 5.848 -9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.886 7.133 -8.133 1.00 0.00 H new ATOM 860 N SER A 55 -9.857 6.905 -3.873 1.00 0.00 N ATOM 861 CA SER A 55 -9.487 7.884 -2.809 1.00 0.00 C ATOM 862 C SER A 55 -8.629 7.190 -1.750 1.00 0.00 C ATOM 863 O SER A 55 -8.757 6.003 -1.515 1.00 0.00 O ATOM 864 CB SER A 55 -10.757 8.430 -2.156 1.00 0.00 C ATOM 865 OG SER A 55 -11.337 7.421 -1.340 1.00 0.00 O ATOM 0 H SER A 55 -10.672 6.329 -3.664 1.00 0.00 H new ATOM 0 HA SER A 55 -8.923 8.704 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.522 9.309 -1.556 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.466 8.747 -2.921 1.00 0.00 H new ATOM 0 HG SER A 55 -11.524 6.628 -1.884 1.00 0.00 H new ATOM 871 N GLY A 56 -7.755 7.926 -1.110 1.00 0.00 N ATOM 872 CA GLY A 56 -6.880 7.323 -0.060 1.00 0.00 C ATOM 873 C GLY A 56 -7.741 6.759 1.075 1.00 0.00 C ATOM 874 O GLY A 56 -7.335 5.850 1.775 1.00 0.00 O ATOM 0 H GLY A 56 -7.610 8.923 -1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.270 6.531 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.195 8.075 0.331 1.00 0.00 H new ATOM 878 N ALA A 57 -8.926 7.290 1.263 1.00 0.00 N ATOM 879 CA ALA A 57 -9.816 6.787 2.353 1.00 0.00 C ATOM 880 C ALA A 57 -10.116 5.302 2.128 1.00 0.00 C ATOM 881 O ALA A 57 -10.252 4.538 3.065 1.00 0.00 O ATOM 882 CB ALA A 57 -11.126 7.577 2.347 1.00 0.00 C ATOM 0 H ALA A 57 -9.314 8.052 0.706 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.317 6.914 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.776 7.210 3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.914 8.634 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.623 7.450 1.385 1.00 0.00 H new ATOM 888 N GLU A 58 -10.213 4.891 0.888 1.00 0.00 N ATOM 889 CA GLU A 58 -10.498 3.458 0.587 1.00 0.00 C ATOM 890 C GLU A 58 -9.329 2.584 1.066 1.00 0.00 C ATOM 891 O GLU A 58 -9.480 1.392 1.259 1.00 0.00 O ATOM 892 CB GLU A 58 -10.687 3.285 -0.924 1.00 0.00 C ATOM 893 CG GLU A 58 -12.181 3.224 -1.252 1.00 0.00 C ATOM 894 CD GLU A 58 -12.435 3.891 -2.604 1.00 0.00 C ATOM 895 OE1 GLU A 58 -11.950 4.993 -2.800 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.112 3.289 -3.423 1.00 0.00 O ATOM 0 H GLU A 58 -10.106 5.490 0.070 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.407 3.152 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.221 4.115 -1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.193 2.373 -1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.516 2.187 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.756 3.726 -0.473 1.00 0.00 H new ATOM 903 N ALA A 59 -8.166 3.163 1.259 1.00 0.00 N ATOM 904 CA ALA A 59 -6.995 2.365 1.726 1.00 0.00 C ATOM 905 C ALA A 59 -6.987 2.316 3.256 1.00 0.00 C ATOM 906 O ALA A 59 -6.502 1.371 3.851 1.00 0.00 O ATOM 907 CB ALA A 59 -5.703 3.017 1.229 1.00 0.00 C ATOM 0 H ALA A 59 -7.981 4.155 1.112 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.066 1.351 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.847 2.435 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.708 3.051 0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.632 4.031 1.623 1.00 0.00 H new ATOM 913 N LYS A 60 -7.520 3.328 3.896 1.00 0.00 N ATOM 914 CA LYS A 60 -7.545 3.349 5.388 1.00 0.00 C ATOM 915 C LYS A 60 -8.629 2.395 5.897 1.00 0.00 C ATOM 916 O LYS A 60 -8.452 1.715 6.890 1.00 0.00 O ATOM 917 CB LYS A 60 -7.848 4.770 5.872 1.00 0.00 C ATOM 918 CG LYS A 60 -7.332 4.943 7.303 1.00 0.00 C ATOM 919 CD LYS A 60 -8.465 4.667 8.293 1.00 0.00 C ATOM 920 CE LYS A 60 -8.042 5.119 9.693 1.00 0.00 C ATOM 921 NZ LYS A 60 -7.348 3.999 10.388 1.00 0.00 N ATOM 0 H LYS A 60 -7.939 4.142 3.446 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.575 3.032 5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.375 5.498 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.921 4.957 5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.501 4.261 7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.951 5.955 7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.367 5.196 7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.705 3.604 8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.381 5.983 9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.916 5.431 10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.060 4.306 11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.992 3.186 10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.506 3.722 9.844 1.00 0.00 H new ATOM 935 N LYS A 61 -9.751 2.344 5.222 1.00 0.00 N ATOM 936 CA LYS A 61 -10.856 1.436 5.658 1.00 0.00 C ATOM 937 C LYS A 61 -10.373 -0.020 5.656 1.00 0.00 C ATOM 938 O LYS A 61 -10.906 -0.858 6.358 1.00 0.00 O ATOM 939 CB LYS A 61 -12.043 1.581 4.698 1.00 0.00 C ATOM 940 CG LYS A 61 -11.598 1.248 3.269 1.00 0.00 C ATOM 941 CD LYS A 61 -12.788 1.394 2.317 1.00 0.00 C ATOM 942 CE LYS A 61 -12.485 0.667 1.006 1.00 0.00 C ATOM 943 NZ LYS A 61 -13.762 0.361 0.301 1.00 0.00 N ATOM 0 H LYS A 61 -9.949 2.894 4.386 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.164 1.708 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.851 0.916 5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.434 2.598 4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.791 1.914 2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.207 0.232 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.687 0.981 2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.985 2.448 2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.847 1.285 0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.938 -0.254 1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.556 -0.133 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.355 -0.244 0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.267 1.247 0.097 1.00 0.00 H new ATOM 957 N LEU A 62 -9.373 -0.325 4.866 1.00 0.00 N ATOM 958 CA LEU A 62 -8.857 -1.725 4.805 1.00 0.00 C ATOM 959 C LEU A 62 -8.367 -2.160 6.199 1.00 0.00 C ATOM 960 O LEU A 62 -7.817 -1.355 6.927 1.00 0.00 O ATOM 961 CB LEU A 62 -7.691 -1.795 3.812 1.00 0.00 C ATOM 962 CG LEU A 62 -8.147 -1.318 2.428 1.00 0.00 C ATOM 963 CD1 LEU A 62 -6.961 -1.345 1.462 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.250 -2.240 1.897 1.00 0.00 C ATOM 0 H LEU A 62 -8.891 0.339 4.259 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.657 -2.390 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.866 -1.176 4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.319 -2.817 3.748 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.532 -0.302 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.285 -1.006 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.175 -0.686 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.576 -2.362 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.570 -1.896 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.867 -3.258 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.099 -2.223 2.581 1.00 0.00 H new ATOM 976 N PRO A 63 -8.570 -3.421 6.543 1.00 0.00 N ATOM 977 CA PRO A 63 -8.147 -3.984 7.866 1.00 0.00 C ATOM 978 C PRO A 63 -6.652 -4.299 7.850 1.00 0.00 C ATOM 979 O PRO A 63 -6.200 -5.187 7.151 1.00 0.00 O ATOM 980 CB PRO A 63 -8.977 -5.253 8.002 1.00 0.00 C ATOM 981 CG PRO A 63 -9.357 -5.691 6.601 1.00 0.00 C ATOM 982 CD PRO A 63 -9.233 -4.472 5.686 1.00 0.00 C ATOM 0 HA PRO A 63 -8.303 -3.297 8.698 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.408 -6.033 8.508 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.868 -5.068 8.602 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.703 -6.494 6.260 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.375 -6.080 6.584 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.636 -4.698 4.803 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.209 -4.139 5.334 1.00 0.00 H new ATOM 990 N GLY A 64 -5.883 -3.565 8.610 1.00 0.00 N ATOM 991 CA GLY A 64 -4.411 -3.797 8.644 1.00 0.00 C ATOM 992 C GLY A 64 -3.690 -2.496 8.286 1.00 0.00 C ATOM 993 O GLY A 64 -2.585 -2.247 8.732 1.00 0.00 O ATOM 0 H GLY A 64 -6.214 -2.811 9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.107 -4.135 9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.138 -4.584 7.941 1.00 0.00 H new ATOM 997 N VAL A 65 -4.310 -1.664 7.486 1.00 0.00 N ATOM 998 CA VAL A 65 -3.668 -0.374 7.095 1.00 0.00 C ATOM 999 C VAL A 65 -4.055 0.708 8.104 1.00 0.00 C ATOM 1000 O VAL A 65 -5.192 0.797 8.525 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.146 0.035 5.700 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.363 1.262 5.232 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -3.915 -1.119 4.722 1.00 0.00 C ATOM 0 H VAL A 65 -5.235 -1.824 7.087 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.585 -0.495 7.084 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.209 0.274 5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.703 1.554 4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.527 2.085 5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.300 1.023 5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.256 -0.828 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.852 -1.358 4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.473 -1.995 5.054 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.114 1.530 8.494 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.415 2.611 9.478 1.00 0.00 C ATOM 1015 C GLY A 66 -3.502 3.954 8.752 1.00 0.00 C ATOM 1016 O GLY A 66 -4.050 4.049 7.669 1.00 0.00 O ATOM 0 H GLY A 66 -2.147 1.498 8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.355 2.401 9.989 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.638 2.648 10.242 1.00 0.00 H new ATOM 1020 N THR A 67 -2.964 4.991 9.341 1.00 0.00 N ATOM 1021 CA THR A 67 -3.009 6.335 8.693 1.00 0.00 C ATOM 1022 C THR A 67 -1.683 6.605 7.978 1.00 0.00 C ATOM 1023 O THR A 67 -1.634 7.331 7.003 1.00 0.00 O ATOM 1024 CB THR A 67 -3.246 7.409 9.759 1.00 0.00 C ATOM 1025 OG1 THR A 67 -3.171 8.694 9.157 1.00 0.00 O ATOM 1026 CG2 THR A 67 -2.184 7.294 10.854 1.00 0.00 C ATOM 0 H THR A 67 -2.494 4.964 10.246 1.00 0.00 H new ATOM 0 HA THR A 67 -3.822 6.360 7.967 1.00 0.00 H new ATOM 0 HB THR A 67 -4.233 7.269 10.201 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.324 9.383 9.837 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.357 8.060 11.610 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.243 6.308 11.316 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.195 7.432 10.417 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.609 6.028 8.457 1.00 0.00 N ATOM 1035 CA LYS A 68 0.717 6.249 7.810 1.00 0.00 C ATOM 1036 C LYS A 68 0.719 5.618 6.415 1.00 0.00 C ATOM 1037 O LYS A 68 0.873 6.298 5.419 1.00 0.00 O ATOM 1038 CB LYS A 68 1.814 5.603 8.661 1.00 0.00 C ATOM 1039 CG LYS A 68 2.378 6.638 9.639 1.00 0.00 C ATOM 1040 CD LYS A 68 1.659 6.517 10.984 1.00 0.00 C ATOM 1041 CE LYS A 68 2.638 6.829 12.117 1.00 0.00 C ATOM 1042 NZ LYS A 68 2.528 8.268 12.487 1.00 0.00 N ATOM 0 H LYS A 68 -0.595 5.412 9.270 1.00 0.00 H new ATOM 0 HA LYS A 68 0.904 7.320 7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.410 4.752 9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.609 5.222 8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.449 6.482 9.772 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.250 7.642 9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.814 7.205 11.020 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.256 5.511 11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.421 6.203 12.982 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.657 6.600 11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.194 8.480 13.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.755 8.857 11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.558 8.472 12.802 1.00 0.00 H new ATOM 1056 N ILE A 69 0.551 4.322 6.341 1.00 0.00 N ATOM 1057 CA ILE A 69 0.544 3.636 5.014 1.00 0.00 C ATOM 1058 C ILE A 69 -0.621 4.157 4.169 1.00 0.00 C ATOM 1059 O ILE A 69 -0.469 4.435 2.995 1.00 0.00 O ATOM 1060 CB ILE A 69 0.387 2.129 5.233 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.520 1.627 6.144 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.436 1.392 3.887 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.886 1.844 5.476 1.00 0.00 C ATOM 0 H ILE A 69 0.418 3.708 7.145 1.00 0.00 H new ATOM 0 HA ILE A 69 1.480 3.837 4.492 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.575 1.932 5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.488 2.154 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.379 0.568 6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.323 0.321 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.373 1.747 3.248 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.393 1.585 3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.675 1.483 6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.921 1.297 4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.032 2.907 5.284 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.782 4.287 4.758 1.00 0.00 N ATOM 1076 CA ALA A 70 -2.966 4.786 3.996 1.00 0.00 C ATOM 1077 C ALA A 70 -2.677 6.185 3.445 1.00 0.00 C ATOM 1078 O ALA A 70 -3.052 6.511 2.333 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.182 4.842 4.922 1.00 0.00 C ATOM 0 H ALA A 70 -1.961 4.068 5.738 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.171 4.109 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.046 5.206 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.392 3.844 5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.975 5.516 5.754 1.00 0.00 H new ATOM 1085 N GLU A 71 -2.011 7.012 4.213 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.690 8.390 3.744 1.00 0.00 C ATOM 1087 C GLU A 71 -0.842 8.314 2.470 1.00 0.00 C ATOM 1088 O GLU A 71 -1.030 9.078 1.541 1.00 0.00 O ATOM 1089 CB GLU A 71 -0.911 9.132 4.833 1.00 0.00 C ATOM 1090 CG GLU A 71 -1.876 9.972 5.673 1.00 0.00 C ATOM 1091 CD GLU A 71 -1.087 11.001 6.484 1.00 0.00 C ATOM 1092 OE1 GLU A 71 0.009 10.676 6.910 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -1.592 12.097 6.665 1.00 0.00 O ATOM 0 H GLU A 71 -1.675 6.788 5.150 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.616 8.925 3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.386 8.419 5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.154 9.773 4.380 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.593 10.477 5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.448 9.328 6.341 1.00 0.00 H new ATOM 1100 N LYS A 72 0.088 7.393 2.424 1.00 0.00 N ATOM 1101 CA LYS A 72 0.953 7.253 1.217 1.00 0.00 C ATOM 1102 C LYS A 72 0.090 6.865 0.014 1.00 0.00 C ATOM 1103 O LYS A 72 0.398 7.200 -1.115 1.00 0.00 O ATOM 1104 CB LYS A 72 2.002 6.168 1.463 1.00 0.00 C ATOM 1105 CG LYS A 72 3.294 6.529 0.729 1.00 0.00 C ATOM 1106 CD LYS A 72 4.450 5.696 1.287 1.00 0.00 C ATOM 1107 CE LYS A 72 4.623 4.433 0.442 1.00 0.00 C ATOM 1108 NZ LYS A 72 3.489 3.502 0.702 1.00 0.00 N ATOM 0 H LYS A 72 0.284 6.731 3.174 1.00 0.00 H new ATOM 0 HA LYS A 72 1.452 8.201 1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.194 6.069 2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.631 5.204 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.181 6.344 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.507 7.591 0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.370 6.280 1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.251 5.428 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.659 4.693 -0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.569 3.948 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.805 2.522 0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.160 3.621 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.709 3.713 0.047 1.00 0.00 H new ATOM 1122 N ILE A 73 -0.992 6.164 0.250 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.884 5.753 -0.874 1.00 0.00 C ATOM 1124 C ILE A 73 -2.471 7.004 -1.533 1.00 0.00 C ATOM 1125 O ILE A 73 -2.481 7.132 -2.741 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.019 4.873 -0.333 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.433 3.674 0.435 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.879 4.366 -1.496 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.536 2.833 -0.484 1.00 0.00 C ATOM 0 H ILE A 73 -1.295 5.859 1.175 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.312 5.188 -1.609 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.636 5.465 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.857 4.029 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.241 3.057 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.684 3.742 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.304 5.215 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.261 3.780 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.130 1.990 0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.122 2.462 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.717 3.449 -0.856 1.00 0.00 H new ATOM 1141 N ASP A 74 -2.955 7.932 -0.742 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.541 9.187 -1.309 1.00 0.00 C ATOM 1143 C ASP A 74 -2.513 9.878 -2.209 1.00 0.00 C ATOM 1144 O ASP A 74 -2.838 10.365 -3.276 1.00 0.00 O ATOM 1145 CB ASP A 74 -3.931 10.128 -0.165 1.00 0.00 C ATOM 1146 CG ASP A 74 -4.842 11.233 -0.701 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -6.012 10.959 -0.912 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -4.355 12.335 -0.891 1.00 0.00 O ATOM 0 H ASP A 74 -2.969 7.873 0.276 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.425 8.939 -1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.441 9.571 0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.038 10.564 0.282 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.271 9.910 -1.791 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.212 10.553 -2.624 1.00 0.00 C ATOM 1155 C GLU A 75 -0.078 9.790 -3.946 1.00 0.00 C ATOM 1156 O GLU A 75 0.311 10.343 -4.956 1.00 0.00 O ATOM 1157 CB GLU A 75 1.122 10.513 -1.874 1.00 0.00 C ATOM 1158 CG GLU A 75 1.269 11.780 -1.028 1.00 0.00 C ATOM 1159 CD GLU A 75 0.378 11.672 0.210 1.00 0.00 C ATOM 1160 OE1 GLU A 75 0.711 10.896 1.091 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -0.622 12.368 0.259 1.00 0.00 O ATOM 0 H GLU A 75 -0.946 9.517 -0.907 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.483 11.590 -2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.167 9.630 -1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.947 10.438 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.309 11.913 -0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.991 12.656 -1.614 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.406 8.522 -3.942 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.313 7.708 -5.190 1.00 0.00 C ATOM 1170 C PHE A 76 -1.432 8.116 -6.145 1.00 0.00 C ATOM 1171 O PHE A 76 -1.203 8.398 -7.306 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.473 6.222 -4.832 1.00 0.00 C ATOM 1173 CG PHE A 76 0.835 5.506 -5.027 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.298 5.243 -6.318 1.00 0.00 C ATOM 1175 CD2 PHE A 76 1.580 5.106 -3.915 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.515 4.575 -6.501 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.797 4.438 -4.094 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.266 4.173 -5.387 1.00 0.00 C ATOM 0 H PHE A 76 -0.736 8.014 -3.122 1.00 0.00 H new ATOM 0 HA PHE A 76 0.653 7.874 -5.666 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.802 6.121 -3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.243 5.769 -5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.718 5.554 -7.174 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.218 5.312 -2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.875 4.370 -7.498 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.374 4.127 -3.236 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.206 3.659 -5.526 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.640 8.127 -5.657 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.798 8.490 -6.514 1.00 0.00 C ATOM 1190 C LEU A 77 -3.791 9.997 -6.793 1.00 0.00 C ATOM 1191 O LEU A 77 -4.296 10.446 -7.805 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.094 8.108 -5.788 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.326 6.585 -5.820 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.298 6.063 -7.261 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.242 5.879 -5.003 1.00 0.00 C ATOM 0 H LEU A 77 -2.875 7.898 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.732 7.955 -7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.048 8.449 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.938 8.616 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.306 6.377 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.464 4.986 -7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.082 6.551 -7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.328 6.281 -7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.410 4.802 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.263 6.103 -5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.279 6.228 -3.971 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.228 10.779 -5.906 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.192 12.256 -6.120 1.00 0.00 C ATOM 1209 C ALA A 78 -2.376 12.573 -7.380 1.00 0.00 C ATOM 1210 O ALA A 78 -2.928 12.814 -8.437 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.554 12.933 -4.902 1.00 0.00 C ATOM 0 H ALA A 78 -2.792 10.457 -5.042 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.207 12.631 -6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.527 14.012 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.142 12.709 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.538 12.560 -4.769 1.00 0.00 H new ATOM 1217 N THR A 79 -1.070 12.570 -7.277 1.00 0.00 N ATOM 1218 CA THR A 79 -0.217 12.866 -8.465 1.00 0.00 C ATOM 1219 C THR A 79 0.851 11.779 -8.605 1.00 0.00 C ATOM 1220 O THR A 79 0.959 11.131 -9.628 1.00 0.00 O ATOM 1221 CB THR A 79 0.459 14.227 -8.282 1.00 0.00 C ATOM 1222 OG1 THR A 79 1.251 14.205 -7.102 1.00 0.00 O ATOM 1223 CG2 THR A 79 -0.607 15.316 -8.164 1.00 0.00 C ATOM 0 H THR A 79 -0.558 12.374 -6.417 1.00 0.00 H new ATOM 0 HA THR A 79 -0.835 12.887 -9.362 1.00 0.00 H new ATOM 0 HB THR A 79 1.094 14.437 -9.142 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.686 15.075 -6.984 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.125 16.285 -8.034 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.213 15.331 -9.070 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.244 15.110 -7.304 1.00 0.00 H new