USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 551 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 Single : A 22 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 176:sc= 0.302 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -109:sc= 0.659 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc=-0.00762 X(o=-0.0076,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0302) USER MOD Single : A 66 MET CE :methyl -146:sc= -0.208 (180deg=-1.73!) USER MOD Single : A 69 MET CE :methyl -122:sc= -0.83 (180deg=-2.68) USER MOD Single : A 70 ASN : amide:sc= -0.0105 X(o=-0.01,f=-0.01) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N VAL A 17 2.569 9.481 0.268 1.00 0.00 N ATOM 211 CA VAL A 17 3.381 8.302 0.542 1.00 0.00 C ATOM 212 C VAL A 17 2.540 7.184 1.149 1.00 0.00 C ATOM 213 O VAL A 17 1.877 7.377 2.170 1.00 0.00 O ATOM 214 CB VAL A 17 4.545 8.630 1.495 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.384 7.389 1.761 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.401 9.750 0.924 1.00 0.00 C ATOM 0 HA VAL A 17 3.787 7.969 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 17 4.130 8.969 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.202 7.641 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.761 6.619 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.791 7.017 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.219 9.969 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.808 9.442 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.790 10.643 0.791 1.00 0.00 H new ATOM 226 N LEU A 18 2.572 6.018 0.517 1.00 0.00 N ATOM 227 CA LEU A 18 1.812 4.867 0.995 1.00 0.00 C ATOM 228 C LEU A 18 2.675 3.978 1.886 1.00 0.00 C ATOM 229 O LEU A 18 3.778 3.586 1.505 1.00 0.00 O ATOM 230 CB LEU A 18 1.275 4.058 -0.187 1.00 0.00 C ATOM 231 CG LEU A 18 0.688 4.869 -1.343 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.445 3.976 -2.550 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.602 5.552 -0.914 1.00 0.00 C ATOM 0 H LEU A 18 3.116 5.843 -0.328 1.00 0.00 H new ATOM 0 HA LEU A 18 0.973 5.236 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.084 3.441 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.506 3.380 0.182 1.00 0.00 H new ATOM 0 HG LEU A 18 1.406 5.639 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.027 4.569 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.388 3.533 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.255 3.184 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.006 6.125 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.327 4.799 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.398 6.223 -0.079 1.00 0.00 H new ATOM 245 N PHE A 19 2.163 3.661 3.070 1.00 0.00 N ATOM 246 CA PHE A 19 2.885 2.816 4.014 1.00 0.00 C ATOM 247 C PHE A 19 2.432 1.364 3.901 1.00 0.00 C ATOM 248 O PHE A 19 1.420 0.970 4.482 1.00 0.00 O ATOM 249 CB PHE A 19 2.676 3.318 5.444 1.00 0.00 C ATOM 250 CG PHE A 19 3.706 2.813 6.414 1.00 0.00 C ATOM 251 CD1 PHE A 19 5.055 3.032 6.188 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.324 2.118 7.550 1.00 0.00 C ATOM 253 CE1 PHE A 19 6.006 2.569 7.079 1.00 0.00 C ATOM 254 CE2 PHE A 19 4.270 1.653 8.445 1.00 0.00 C ATOM 255 CZ PHE A 19 5.612 1.877 8.207 1.00 0.00 C ATOM 0 H PHE A 19 1.251 3.977 3.399 1.00 0.00 H new ATOM 0 HA PHE A 19 3.946 2.867 3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.692 4.408 5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.687 3.014 5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.368 3.571 5.306 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.276 1.937 7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.055 2.748 6.893 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.960 1.115 9.329 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.353 1.511 8.903 1.00 0.00 H new ATOM 265 N VAL A 20 3.188 0.571 3.149 1.00 0.00 N ATOM 266 CA VAL A 20 2.866 -0.838 2.960 1.00 0.00 C ATOM 267 C VAL A 20 3.508 -1.700 4.042 1.00 0.00 C ATOM 268 O VAL A 20 4.728 -1.862 4.077 1.00 0.00 O ATOM 269 CB VAL A 20 3.328 -1.340 1.578 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.816 -2.749 1.322 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.865 -0.389 0.485 1.00 0.00 C ATOM 0 H VAL A 20 4.028 0.881 2.661 1.00 0.00 H new ATOM 0 HA VAL A 20 1.782 -0.925 3.026 1.00 0.00 H new ATOM 0 HB VAL A 20 4.418 -1.368 1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.153 -3.086 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.202 -3.421 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.726 -2.751 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.200 -0.758 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.777 -0.327 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.286 0.601 0.661 1.00 0.00 H new ATOM 281 N ARG A 21 2.679 -2.250 4.922 1.00 0.00 N ATOM 282 CA ARG A 21 3.167 -3.095 6.006 1.00 0.00 C ATOM 283 C ARG A 21 2.935 -4.570 5.691 1.00 0.00 C ATOM 284 O ARG A 21 2.200 -4.909 4.765 1.00 0.00 O ATOM 285 CB ARG A 21 2.473 -2.727 7.319 1.00 0.00 C ATOM 286 CG ARG A 21 3.342 -1.908 8.258 1.00 0.00 C ATOM 287 CD ARG A 21 2.542 -1.380 9.439 1.00 0.00 C ATOM 288 NE ARG A 21 1.948 -2.459 10.223 1.00 0.00 N ATOM 289 CZ ARG A 21 1.322 -2.268 11.379 1.00 0.00 C ATOM 290 NH1 ARG A 21 1.210 -1.047 11.883 1.00 0.00 N ATOM 291 NH2 ARG A 21 0.806 -3.301 12.034 1.00 0.00 N ATOM 0 H ARG A 21 1.667 -2.126 4.906 1.00 0.00 H new ATOM 0 HA ARG A 21 4.239 -2.928 6.110 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.565 -2.166 7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.166 -3.641 7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.166 -2.522 8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.782 -1.073 7.713 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.191 -0.782 10.079 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.755 -0.719 9.077 1.00 0.00 H new ATOM 0 HE ARG A 21 2.017 -3.411 9.864 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.605 -0.251 11.383 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.729 -0.904 12.771 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.890 -4.242 11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.325 -3.154 12.922 1.00 0.00 H new ATOM 305 N ASN A 22 3.569 -5.442 6.468 1.00 0.00 N ATOM 306 CA ASN A 22 3.433 -6.881 6.273 1.00 0.00 C ATOM 307 C ASN A 22 3.827 -7.275 4.853 1.00 0.00 C ATOM 308 O ASN A 22 2.970 -7.568 4.017 1.00 0.00 O ATOM 309 CB ASN A 22 1.996 -7.322 6.557 1.00 0.00 C ATOM 310 CG ASN A 22 1.609 -7.132 8.010 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.467 -7.093 8.893 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.312 -7.013 8.267 1.00 0.00 N ATOM 0 H ASN A 22 4.182 -5.177 7.239 1.00 0.00 H new ATOM 0 HA ASN A 22 4.104 -7.383 6.971 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.313 -6.754 5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.881 -8.372 6.288 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.008 -6.883 9.227 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.365 -7.051 7.505 1.00 0.00 H new ATOM 319 N LEU A 23 5.128 -7.283 4.587 1.00 0.00 N ATOM 320 CA LEU A 23 5.637 -7.643 3.268 1.00 0.00 C ATOM 321 C LEU A 23 6.217 -9.054 3.273 1.00 0.00 C ATOM 322 O LEU A 23 6.293 -9.700 4.319 1.00 0.00 O ATOM 323 CB LEU A 23 6.706 -6.643 2.822 1.00 0.00 C ATOM 324 CG LEU A 23 6.198 -5.398 2.094 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.116 -4.707 2.909 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.346 -4.441 1.809 1.00 0.00 C ATOM 0 H LEU A 23 5.850 -7.044 5.267 1.00 0.00 H new ATOM 0 HA LEU A 23 4.804 -7.615 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.265 -6.323 3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.409 -7.160 2.169 1.00 0.00 H new ATOM 0 HG LEU A 23 5.765 -5.708 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.767 -3.823 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.282 -5.392 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.523 -4.410 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.966 -3.561 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.808 -4.137 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.088 -4.938 1.184 1.00 0.00 H new ATOM 338 N ALA A 24 6.626 -9.526 2.100 1.00 0.00 N ATOM 339 CA ALA A 24 7.201 -10.859 1.971 1.00 0.00 C ATOM 340 C ALA A 24 8.724 -10.804 2.009 1.00 0.00 C ATOM 341 O ALA A 24 9.333 -9.836 1.552 1.00 0.00 O ATOM 342 CB ALA A 24 6.727 -11.516 0.685 1.00 0.00 C ATOM 0 H ALA A 24 6.570 -9.005 1.225 1.00 0.00 H new ATOM 0 HA ALA A 24 6.863 -11.458 2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.164 -12.511 0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.640 -11.597 0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.036 -10.912 -0.168 1.00 0.00 H new ATOM 348 N THR A 25 9.336 -11.848 2.558 1.00 0.00 N ATOM 349 CA THR A 25 10.788 -11.919 2.659 1.00 0.00 C ATOM 350 C THR A 25 11.401 -12.469 1.375 1.00 0.00 C ATOM 351 O THR A 25 12.561 -12.197 1.062 1.00 0.00 O ATOM 352 CB THR A 25 11.228 -12.801 3.842 1.00 0.00 C ATOM 353 OG1 THR A 25 10.442 -12.495 4.999 1.00 0.00 O ATOM 354 CG2 THR A 25 12.703 -12.589 4.156 1.00 0.00 C ATOM 0 H THR A 25 8.847 -12.658 2.940 1.00 0.00 H new ATOM 0 HA THR A 25 11.143 -10.902 2.823 1.00 0.00 H new ATOM 0 HB THR A 25 11.077 -13.844 3.565 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.726 -13.061 5.747 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.991 -13.222 4.995 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.302 -12.849 3.283 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.873 -11.544 4.415 1.00 0.00 H new ATOM 362 N THR A 26 10.616 -13.244 0.635 1.00 0.00 N ATOM 363 CA THR A 26 11.081 -13.833 -0.615 1.00 0.00 C ATOM 364 C THR A 26 11.043 -12.816 -1.751 1.00 0.00 C ATOM 365 O THR A 26 11.832 -12.891 -2.692 1.00 0.00 O ATOM 366 CB THR A 26 10.234 -15.057 -1.010 1.00 0.00 C ATOM 367 OG1 THR A 26 8.856 -14.686 -1.113 1.00 0.00 O ATOM 368 CG2 THR A 26 10.388 -16.173 0.013 1.00 0.00 C ATOM 0 H THR A 26 9.654 -13.479 0.879 1.00 0.00 H new ATOM 0 HA THR A 26 12.110 -14.151 -0.449 1.00 0.00 H new ATOM 0 HB THR A 26 10.586 -15.419 -1.976 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.334 -15.451 -1.434 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.781 -17.027 -0.286 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.434 -16.473 0.069 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.059 -15.819 0.990 1.00 0.00 H new ATOM 376 N VAL A 27 10.120 -11.863 -1.655 1.00 0.00 N ATOM 377 CA VAL A 27 9.980 -10.829 -2.672 1.00 0.00 C ATOM 378 C VAL A 27 11.152 -9.855 -2.632 1.00 0.00 C ATOM 379 O VAL A 27 11.876 -9.777 -1.638 1.00 0.00 O ATOM 380 CB VAL A 27 8.667 -10.043 -2.497 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.474 -10.987 -2.509 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.701 -9.230 -1.213 1.00 0.00 C ATOM 0 H VAL A 27 9.458 -11.787 -0.882 1.00 0.00 H new ATOM 0 HA VAL A 27 9.966 -11.335 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 27 8.562 -9.353 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.555 -10.414 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.442 -11.521 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.569 -11.703 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.766 -8.681 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.829 -9.899 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.533 -8.526 -1.250 1.00 0.00 H new ATOM 392 N THR A 28 11.334 -9.111 -3.717 1.00 0.00 N ATOM 393 CA THR A 28 12.419 -8.141 -3.807 1.00 0.00 C ATOM 394 C THR A 28 11.894 -6.763 -4.190 1.00 0.00 C ATOM 395 O THR A 28 10.756 -6.625 -4.635 1.00 0.00 O ATOM 396 CB THR A 28 13.479 -8.578 -4.835 1.00 0.00 C ATOM 397 OG1 THR A 28 14.556 -7.634 -4.859 1.00 0.00 O ATOM 398 CG2 THR A 28 12.871 -8.695 -6.225 1.00 0.00 C ATOM 0 H THR A 28 10.744 -9.161 -4.547 1.00 0.00 H new ATOM 0 HA THR A 28 12.880 -8.090 -2.820 1.00 0.00 H new ATOM 0 HB THR A 28 13.858 -9.556 -4.538 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.227 -7.920 -5.514 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.639 -9.005 -6.933 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.071 -9.435 -6.211 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.467 -7.729 -6.528 1.00 0.00 H new ATOM 406 N GLU A 29 12.730 -5.745 -4.013 1.00 0.00 N ATOM 407 CA GLU A 29 12.348 -4.377 -4.340 1.00 0.00 C ATOM 408 C GLU A 29 11.845 -4.281 -5.777 1.00 0.00 C ATOM 409 O GLU A 29 11.003 -3.442 -6.096 1.00 0.00 O ATOM 410 CB GLU A 29 13.535 -3.431 -4.141 1.00 0.00 C ATOM 411 CG GLU A 29 13.766 -3.043 -2.690 1.00 0.00 C ATOM 412 CD GLU A 29 15.196 -2.616 -2.421 1.00 0.00 C ATOM 413 OE1 GLU A 29 15.670 -1.673 -3.090 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.841 -3.224 -1.541 1.00 0.00 O ATOM 0 H GLU A 29 13.676 -5.842 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 29 11.540 -4.083 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.436 -3.905 -4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.372 -2.528 -4.729 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.092 -2.229 -2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.516 -3.887 -2.048 1.00 0.00 H new ATOM 421 N GLU A 30 12.367 -5.148 -6.640 1.00 0.00 N ATOM 422 CA GLU A 30 11.971 -5.159 -8.044 1.00 0.00 C ATOM 423 C GLU A 30 10.488 -5.490 -8.188 1.00 0.00 C ATOM 424 O GLU A 30 9.734 -4.746 -8.815 1.00 0.00 O ATOM 425 CB GLU A 30 12.808 -6.174 -8.824 1.00 0.00 C ATOM 426 CG GLU A 30 13.346 -5.637 -10.140 1.00 0.00 C ATOM 427 CD GLU A 30 13.123 -6.594 -11.295 1.00 0.00 C ATOM 428 OE1 GLU A 30 13.528 -7.769 -11.180 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.542 -6.167 -12.315 1.00 0.00 O ATOM 0 H GLU A 30 13.064 -5.851 -6.392 1.00 0.00 H new ATOM 0 HA GLU A 30 12.145 -4.164 -8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.644 -6.496 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.200 -7.057 -9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.865 -4.685 -10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.413 -5.439 -10.038 1.00 0.00 H new ATOM 436 N ILE A 31 10.078 -6.610 -7.602 1.00 0.00 N ATOM 437 CA ILE A 31 8.686 -7.039 -7.665 1.00 0.00 C ATOM 438 C ILE A 31 7.750 -5.939 -7.175 1.00 0.00 C ATOM 439 O ILE A 31 6.779 -5.590 -7.848 1.00 0.00 O ATOM 440 CB ILE A 31 8.450 -8.309 -6.827 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.355 -9.442 -7.312 1.00 0.00 C ATOM 442 CG2 ILE A 31 6.988 -8.725 -6.896 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.446 -10.600 -6.344 1.00 0.00 C ATOM 0 H ILE A 31 10.689 -7.236 -7.079 1.00 0.00 H new ATOM 0 HA ILE A 31 8.470 -7.258 -8.711 1.00 0.00 H new ATOM 0 HB ILE A 31 8.697 -8.092 -5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.984 -9.808 -8.269 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.355 -9.047 -7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.837 -9.624 -6.299 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.362 -7.922 -6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.716 -8.928 -7.932 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.104 -11.366 -6.754 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.846 -10.249 -5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.453 -11.021 -6.187 1.00 0.00 H new ATOM 455 N LEU A 32 8.048 -5.396 -6.000 1.00 0.00 N ATOM 456 CA LEU A 32 7.234 -4.333 -5.420 1.00 0.00 C ATOM 457 C LEU A 32 7.170 -3.126 -6.350 1.00 0.00 C ATOM 458 O LEU A 32 6.212 -2.355 -6.316 1.00 0.00 O ATOM 459 CB LEU A 32 7.798 -3.915 -4.061 1.00 0.00 C ATOM 460 CG LEU A 32 7.625 -4.922 -2.923 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.884 -4.990 -2.074 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.420 -4.557 -2.068 1.00 0.00 C ATOM 0 H LEU A 32 8.847 -5.674 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 32 6.223 -4.717 -5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.862 -3.710 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.324 -2.979 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 32 7.452 -5.907 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.742 -5.712 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.725 -5.299 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.089 -4.008 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.311 -5.284 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.563 -3.563 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.521 -4.562 -2.685 1.00 0.00 H new ATOM 474 N GLU A 33 8.195 -2.972 -7.182 1.00 0.00 N ATOM 475 CA GLU A 33 8.255 -1.860 -8.123 1.00 0.00 C ATOM 476 C GLU A 33 7.327 -2.101 -9.310 1.00 0.00 C ATOM 477 O GLU A 33 6.829 -1.158 -9.926 1.00 0.00 O ATOM 478 CB GLU A 33 9.688 -1.655 -8.616 1.00 0.00 C ATOM 479 CG GLU A 33 10.349 -0.403 -8.063 1.00 0.00 C ATOM 480 CD GLU A 33 11.730 -0.168 -8.644 1.00 0.00 C ATOM 481 OE1 GLU A 33 12.248 -1.072 -9.332 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.292 0.923 -8.411 1.00 0.00 O ATOM 0 H GLU A 33 8.995 -3.603 -7.223 1.00 0.00 H new ATOM 0 HA GLU A 33 7.926 -0.960 -7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.286 -2.524 -8.340 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.685 -1.603 -9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.718 0.460 -8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.424 -0.485 -6.979 1.00 0.00 H new ATOM 489 N LYS A 34 7.098 -3.371 -9.626 1.00 0.00 N ATOM 490 CA LYS A 34 6.229 -3.739 -10.738 1.00 0.00 C ATOM 491 C LYS A 34 4.784 -3.885 -10.274 1.00 0.00 C ATOM 492 O LYS A 34 3.850 -3.716 -11.059 1.00 0.00 O ATOM 493 CB LYS A 34 6.707 -5.047 -11.373 1.00 0.00 C ATOM 494 CG LYS A 34 8.177 -5.038 -11.754 1.00 0.00 C ATOM 495 CD LYS A 34 8.443 -4.109 -12.927 1.00 0.00 C ATOM 496 CE LYS A 34 9.556 -4.638 -13.817 1.00 0.00 C ATOM 497 NZ LYS A 34 9.051 -5.037 -15.160 1.00 0.00 N ATOM 0 H LYS A 34 7.502 -4.164 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 34 6.274 -2.943 -11.481 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.526 -5.866 -10.677 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.111 -5.248 -12.263 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.774 -4.724 -10.898 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.494 -6.049 -12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.532 -3.992 -13.513 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.712 -3.120 -12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.324 -3.873 -13.931 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.028 -5.495 -13.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.841 -5.392 -15.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.336 -5.785 -15.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.623 -4.213 -15.629 1.00 0.00 H new ATOM 511 N SER A 35 4.606 -4.200 -8.995 1.00 0.00 N ATOM 512 CA SER A 35 3.273 -4.370 -8.428 1.00 0.00 C ATOM 513 C SER A 35 2.511 -3.049 -8.426 1.00 0.00 C ATOM 514 O SER A 35 1.296 -3.019 -8.626 1.00 0.00 O ATOM 515 CB SER A 35 3.369 -4.918 -7.003 1.00 0.00 C ATOM 516 OG SER A 35 2.902 -6.255 -6.939 1.00 0.00 O ATOM 0 H SER A 35 5.368 -4.343 -8.332 1.00 0.00 H new ATOM 0 HA SER A 35 2.729 -5.082 -9.048 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.403 -4.874 -6.662 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.784 -4.292 -6.329 1.00 0.00 H new ATOM 0 HG SER A 35 2.975 -6.583 -6.019 1.00 0.00 H new ATOM 522 N PHE A 36 3.233 -1.956 -8.199 1.00 0.00 N ATOM 523 CA PHE A 36 2.626 -0.631 -8.170 1.00 0.00 C ATOM 524 C PHE A 36 2.731 0.046 -9.533 1.00 0.00 C ATOM 525 O PHE A 36 1.861 0.827 -9.920 1.00 0.00 O ATOM 526 CB PHE A 36 3.297 0.238 -7.103 1.00 0.00 C ATOM 527 CG PHE A 36 2.878 -0.104 -5.702 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.608 0.214 -5.248 1.00 0.00 C ATOM 529 CD2 PHE A 36 3.755 -0.740 -4.838 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.218 -0.099 -3.959 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.371 -1.055 -3.548 1.00 0.00 C ATOM 532 CZ PHE A 36 2.102 -0.733 -3.108 1.00 0.00 C ATOM 0 H PHE A 36 4.239 -1.962 -8.032 1.00 0.00 H new ATOM 0 HA PHE A 36 1.571 -0.748 -7.923 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.379 0.132 -7.187 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.064 1.285 -7.298 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.914 0.712 -5.909 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.749 -0.992 -5.176 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.224 0.152 -3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.063 -1.553 -2.885 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.801 -0.977 -2.100 1.00 0.00 H new ATOM 542 N SER A 37 3.803 -0.258 -10.257 1.00 0.00 N ATOM 543 CA SER A 37 4.026 0.323 -11.575 1.00 0.00 C ATOM 544 C SER A 37 2.820 0.094 -12.481 1.00 0.00 C ATOM 545 O SER A 37 2.557 0.877 -13.393 1.00 0.00 O ATOM 546 CB SER A 37 5.279 -0.277 -12.216 1.00 0.00 C ATOM 547 OG SER A 37 5.351 0.044 -13.594 1.00 0.00 O ATOM 0 H SER A 37 4.531 -0.904 -9.953 1.00 0.00 H new ATOM 0 HA SER A 37 4.168 1.397 -11.451 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.167 0.097 -11.706 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.272 -1.360 -12.092 1.00 0.00 H new ATOM 0 HG SER A 37 6.161 -0.350 -13.980 1.00 0.00 H new ATOM 553 N GLU A 38 2.089 -0.986 -12.221 1.00 0.00 N ATOM 554 CA GLU A 38 0.910 -1.319 -13.013 1.00 0.00 C ATOM 555 C GLU A 38 -0.135 -0.211 -12.924 1.00 0.00 C ATOM 556 O GLU A 38 -0.951 -0.037 -13.831 1.00 0.00 O ATOM 557 CB GLU A 38 0.308 -2.643 -12.539 1.00 0.00 C ATOM 558 CG GLU A 38 1.302 -3.793 -12.525 1.00 0.00 C ATOM 559 CD GLU A 38 0.737 -5.060 -13.139 1.00 0.00 C ATOM 560 OE1 GLU A 38 0.467 -5.060 -14.358 1.00 0.00 O ATOM 561 OE2 GLU A 38 0.566 -6.052 -12.400 1.00 0.00 O ATOM 0 H GLU A 38 2.292 -1.645 -11.469 1.00 0.00 H new ATOM 0 HA GLU A 38 1.219 -1.421 -14.053 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.096 -2.510 -11.535 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.529 -2.905 -13.187 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.200 -3.499 -13.069 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.604 -3.995 -11.497 1.00 0.00 H new ATOM 568 N PHE A 39 -0.107 0.535 -11.824 1.00 0.00 N ATOM 569 CA PHE A 39 -1.053 1.625 -11.615 1.00 0.00 C ATOM 570 C PHE A 39 -0.511 2.931 -12.186 1.00 0.00 C ATOM 571 O PHE A 39 -1.192 3.618 -12.947 1.00 0.00 O ATOM 572 CB PHE A 39 -1.350 1.791 -10.123 1.00 0.00 C ATOM 573 CG PHE A 39 -1.976 0.577 -9.498 1.00 0.00 C ATOM 574 CD1 PHE A 39 -1.202 -0.522 -9.161 1.00 0.00 C ATOM 575 CD2 PHE A 39 -3.338 0.535 -9.246 1.00 0.00 C ATOM 576 CE1 PHE A 39 -1.774 -1.641 -8.585 1.00 0.00 C ATOM 577 CE2 PHE A 39 -3.916 -0.581 -8.671 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.133 -1.670 -8.340 1.00 0.00 C ATOM 0 H PHE A 39 0.561 0.404 -11.064 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.977 1.377 -12.137 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.422 2.022 -9.599 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.014 2.644 -9.986 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.139 -0.504 -9.351 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.955 1.384 -9.502 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.159 -2.491 -8.327 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.979 -0.602 -8.481 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.583 -2.543 -7.890 1.00 0.00 H new ATOM 588 N GLY A 40 0.718 3.270 -11.812 1.00 0.00 N ATOM 589 CA GLY A 40 1.331 4.494 -12.295 1.00 0.00 C ATOM 590 C GLY A 40 2.838 4.492 -12.132 1.00 0.00 C ATOM 591 O GLY A 40 3.376 3.797 -11.268 1.00 0.00 O ATOM 0 H GLY A 40 1.301 2.719 -11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.083 4.630 -13.348 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.912 5.344 -11.756 1.00 0.00 H new ATOM 595 N LYS A 41 3.522 5.268 -12.964 1.00 0.00 N ATOM 596 CA LYS A 41 4.977 5.354 -12.910 1.00 0.00 C ATOM 597 C LYS A 41 5.451 5.666 -11.494 1.00 0.00 C ATOM 598 O LYS A 41 5.259 6.775 -10.994 1.00 0.00 O ATOM 599 CB LYS A 41 5.482 6.428 -13.876 1.00 0.00 C ATOM 600 CG LYS A 41 6.185 5.864 -15.099 1.00 0.00 C ATOM 601 CD LYS A 41 7.582 5.370 -14.760 1.00 0.00 C ATOM 602 CE LYS A 41 8.586 5.759 -15.834 1.00 0.00 C ATOM 603 NZ LYS A 41 8.479 4.884 -17.034 1.00 0.00 N ATOM 0 H LYS A 41 3.092 5.848 -13.685 1.00 0.00 H new ATOM 0 HA LYS A 41 5.384 4.387 -13.207 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.639 7.038 -14.201 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.168 7.089 -13.345 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.598 5.043 -15.511 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.247 6.631 -15.871 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.893 5.785 -13.802 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.569 4.286 -14.648 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.423 6.797 -16.125 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.595 5.697 -15.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.179 5.181 -17.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.659 3.897 -16.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.523 4.963 -17.437 1.00 0.00 H new ATOM 617 N LEU A 42 6.072 4.682 -10.853 1.00 0.00 N ATOM 618 CA LEU A 42 6.576 4.852 -9.495 1.00 0.00 C ATOM 619 C LEU A 42 7.720 5.861 -9.460 1.00 0.00 C ATOM 620 O LEU A 42 8.266 6.229 -10.499 1.00 0.00 O ATOM 621 CB LEU A 42 7.048 3.510 -8.933 1.00 0.00 C ATOM 622 CG LEU A 42 5.955 2.476 -8.659 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.554 1.212 -8.062 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.894 3.054 -7.733 1.00 0.00 C ATOM 0 H LEU A 42 6.239 3.758 -11.252 1.00 0.00 H new ATOM 0 HA LEU A 42 5.762 5.232 -8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.763 3.077 -9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.585 3.697 -8.003 1.00 0.00 H new ATOM 0 HG LEU A 42 5.481 2.217 -9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.762 0.488 -7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.276 0.787 -8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.054 1.454 -7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.124 2.304 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.354 3.342 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.443 3.930 -8.199 1.00 0.00 H new ATOM 636 N GLU A 43 8.078 6.301 -8.258 1.00 0.00 N ATOM 637 CA GLU A 43 9.158 7.266 -8.089 1.00 0.00 C ATOM 638 C GLU A 43 10.400 6.596 -7.510 1.00 0.00 C ATOM 639 O GLU A 43 11.513 6.803 -7.994 1.00 0.00 O ATOM 640 CB GLU A 43 8.710 8.412 -7.178 1.00 0.00 C ATOM 641 CG GLU A 43 8.848 9.785 -7.813 1.00 0.00 C ATOM 642 CD GLU A 43 9.083 10.880 -6.790 1.00 0.00 C ATOM 643 OE1 GLU A 43 8.401 10.872 -5.744 1.00 0.00 O ATOM 644 OE2 GLU A 43 9.950 11.744 -7.036 1.00 0.00 O ATOM 0 H GLU A 43 7.636 6.005 -7.388 1.00 0.00 H new ATOM 0 HA GLU A 43 9.408 7.669 -9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.669 8.255 -6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.297 8.385 -6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.676 9.772 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.945 10.011 -8.381 1.00 0.00 H new ATOM 651 N ARG A 44 10.202 5.793 -6.470 1.00 0.00 N ATOM 652 CA ARG A 44 11.305 5.093 -5.823 1.00 0.00 C ATOM 653 C ARG A 44 10.800 4.226 -4.673 1.00 0.00 C ATOM 654 O ARG A 44 9.939 4.644 -3.899 1.00 0.00 O ATOM 655 CB ARG A 44 12.339 6.096 -5.306 1.00 0.00 C ATOM 656 CG ARG A 44 13.777 5.662 -5.537 1.00 0.00 C ATOM 657 CD ARG A 44 14.759 6.614 -4.874 1.00 0.00 C ATOM 658 NE ARG A 44 15.462 7.443 -5.849 1.00 0.00 N ATOM 659 CZ ARG A 44 16.433 6.990 -6.634 1.00 0.00 C ATOM 660 NH1 ARG A 44 16.814 5.723 -6.559 1.00 0.00 N ATOM 661 NH2 ARG A 44 17.024 7.807 -7.497 1.00 0.00 N ATOM 0 H ARG A 44 9.287 5.611 -6.057 1.00 0.00 H new ATOM 0 HA ARG A 44 11.775 4.445 -6.562 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.176 7.057 -5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.182 6.249 -4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.922 4.656 -5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.977 5.618 -6.607 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.225 7.254 -4.172 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.484 6.042 -4.295 1.00 0.00 H new ATOM 0 HE ARG A 44 15.193 8.423 -5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.361 5.093 -5.897 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.560 5.378 -7.163 1.00 0.00 H new ATOM 0 HH21 ARG A 44 16.733 8.783 -7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.770 7.459 -8.100 1.00 0.00 H new ATOM 675 N VAL A 45 11.343 3.018 -4.568 1.00 0.00 N ATOM 676 CA VAL A 45 10.948 2.092 -3.513 1.00 0.00 C ATOM 677 C VAL A 45 12.148 1.676 -2.669 1.00 0.00 C ATOM 678 O VAL A 45 13.269 1.577 -3.170 1.00 0.00 O ATOM 679 CB VAL A 45 10.280 0.831 -4.093 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.780 -0.070 -2.975 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.143 1.214 -5.030 1.00 0.00 C ATOM 0 H VAL A 45 12.058 2.657 -5.200 1.00 0.00 H new ATOM 0 HA VAL A 45 10.230 2.617 -2.884 1.00 0.00 H new ATOM 0 HB VAL A 45 11.023 0.278 -4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.311 -0.956 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.619 -0.371 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.051 0.470 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.682 0.311 -5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.397 1.789 -4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.534 1.816 -5.850 1.00 0.00 H new ATOM 691 N LYS A 46 11.906 1.432 -1.387 1.00 0.00 N ATOM 692 CA LYS A 46 12.965 1.024 -0.472 1.00 0.00 C ATOM 693 C LYS A 46 12.454 -0.009 0.528 1.00 0.00 C ATOM 694 O LYS A 46 11.361 0.133 1.078 1.00 0.00 O ATOM 695 CB LYS A 46 13.521 2.240 0.274 1.00 0.00 C ATOM 696 CG LYS A 46 14.998 2.128 0.606 1.00 0.00 C ATOM 697 CD LYS A 46 15.853 2.128 -0.651 1.00 0.00 C ATOM 698 CE LYS A 46 16.838 3.288 -0.654 1.00 0.00 C ATOM 699 NZ LYS A 46 17.218 3.688 -2.038 1.00 0.00 N ATOM 0 H LYS A 46 10.984 1.510 -0.957 1.00 0.00 H new ATOM 0 HA LYS A 46 13.763 0.570 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.360 3.132 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.959 2.377 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.292 2.959 1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.177 1.212 1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.398 1.186 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.211 2.192 -1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.397 4.141 -0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.733 3.007 -0.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.890 4.481 -1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.662 2.882 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.368 3.981 -2.561 1.00 0.00 H new ATOM 713 N LYS A 47 13.251 -1.046 0.761 1.00 0.00 N ATOM 714 CA LYS A 47 12.882 -2.100 1.697 1.00 0.00 C ATOM 715 C LYS A 47 13.336 -1.757 3.112 1.00 0.00 C ATOM 716 O LYS A 47 14.510 -1.914 3.453 1.00 0.00 O ATOM 717 CB LYS A 47 13.494 -3.434 1.263 1.00 0.00 C ATOM 718 CG LYS A 47 12.586 -4.627 1.502 1.00 0.00 C ATOM 719 CD LYS A 47 12.554 -5.554 0.299 1.00 0.00 C ATOM 720 CE LYS A 47 11.731 -6.803 0.578 1.00 0.00 C ATOM 721 NZ LYS A 47 12.583 -8.022 0.656 1.00 0.00 N ATOM 0 H LYS A 47 14.158 -1.179 0.314 1.00 0.00 H new ATOM 0 HA LYS A 47 11.796 -2.188 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.741 -3.383 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.430 -3.587 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.930 -5.178 2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.577 -4.279 1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.136 -5.025 -0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.571 -5.840 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.188 -6.679 1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.986 -6.930 -0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.416 -8.617 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.585 -7.744 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.345 -8.558 1.515 1.00 0.00 H new ATOM 735 N LEU A 48 12.401 -1.289 3.931 1.00 0.00 N ATOM 736 CA LEU A 48 12.706 -0.924 5.310 1.00 0.00 C ATOM 737 C LEU A 48 11.790 -1.660 6.283 1.00 0.00 C ATOM 738 O LEU A 48 10.592 -1.386 6.352 1.00 0.00 O ATOM 739 CB LEU A 48 12.566 0.587 5.503 1.00 0.00 C ATOM 740 CG LEU A 48 13.742 1.437 5.023 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.018 1.043 5.751 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.921 1.300 3.517 1.00 0.00 C ATOM 0 H LEU A 48 11.426 -1.153 3.664 1.00 0.00 H new ATOM 0 HA LEU A 48 13.736 -1.216 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.668 0.918 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.410 0.785 6.564 1.00 0.00 H new ATOM 0 HG LEU A 48 13.526 2.481 5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.844 1.659 5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.887 1.194 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.238 -0.007 5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.763 1.912 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.114 0.257 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.015 1.633 3.011 1.00 0.00 H new ATOM 754 N LYS A 49 12.363 -2.593 7.036 1.00 0.00 N ATOM 755 CA LYS A 49 11.599 -3.366 8.008 1.00 0.00 C ATOM 756 C LYS A 49 10.529 -4.205 7.317 1.00 0.00 C ATOM 757 O LYS A 49 10.580 -4.419 6.105 1.00 0.00 O ATOM 758 CB LYS A 49 10.949 -2.436 9.034 1.00 0.00 C ATOM 759 CG LYS A 49 11.886 -1.364 9.562 1.00 0.00 C ATOM 760 CD LYS A 49 13.131 -1.970 10.188 1.00 0.00 C ATOM 761 CE LYS A 49 13.393 -1.397 11.572 1.00 0.00 C ATOM 762 NZ LYS A 49 14.175 -0.132 11.511 1.00 0.00 N ATOM 0 H LYS A 49 13.354 -2.832 6.992 1.00 0.00 H new ATOM 0 HA LYS A 49 12.287 -4.038 8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.082 -1.957 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.583 -3.031 9.871 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.174 -0.698 8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.365 -0.756 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.016 -3.052 10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.991 -1.781 9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.443 -1.213 12.074 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.934 -2.129 12.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.332 0.226 12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.092 -0.312 11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.648 0.576 10.961 1.00 0.00 H new ATOM 776 N ASP A 50 9.559 -4.676 8.094 1.00 0.00 N ATOM 777 CA ASP A 50 8.475 -5.489 7.555 1.00 0.00 C ATOM 778 C ASP A 50 7.673 -4.708 6.519 1.00 0.00 C ATOM 779 O ASP A 50 6.917 -5.287 5.738 1.00 0.00 O ATOM 780 CB ASP A 50 7.554 -5.959 8.681 1.00 0.00 C ATOM 781 CG ASP A 50 6.905 -4.805 9.420 1.00 0.00 C ATOM 782 OD1 ASP A 50 5.971 -4.193 8.861 1.00 0.00 O ATOM 783 OD2 ASP A 50 7.333 -4.511 10.556 1.00 0.00 O ATOM 0 H ASP A 50 9.502 -4.509 9.099 1.00 0.00 H new ATOM 0 HA ASP A 50 8.915 -6.359 7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.778 -6.603 8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.126 -6.562 9.386 1.00 0.00 H new ATOM 788 N TYR A 51 7.843 -3.390 6.518 1.00 0.00 N ATOM 789 CA TYR A 51 7.132 -2.529 5.579 1.00 0.00 C ATOM 790 C TYR A 51 8.072 -2.017 4.492 1.00 0.00 C ATOM 791 O TYR A 51 9.233 -2.414 4.422 1.00 0.00 O ATOM 792 CB TYR A 51 6.497 -1.350 6.318 1.00 0.00 C ATOM 793 CG TYR A 51 7.468 -0.589 7.192 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.320 0.366 6.650 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.535 -0.825 8.560 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.210 1.063 7.445 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.420 -0.132 9.362 1.00 0.00 C ATOM 798 CZ TYR A 51 9.255 0.811 8.800 1.00 0.00 C ATOM 799 OH TYR A 51 10.140 1.502 9.596 1.00 0.00 O ATOM 0 H TYR A 51 8.466 -2.895 7.156 1.00 0.00 H new ATOM 0 HA TYR A 51 6.346 -3.118 5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.064 -0.665 5.588 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.677 -1.718 6.935 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.286 0.567 5.589 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.883 -1.563 9.004 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.866 1.801 7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.458 -0.327 10.424 1.00 0.00 H new ATOM 0 HH TYR A 51 10.044 1.206 10.525 1.00 0.00 H new ATOM 809 N ALA A 52 7.558 -1.131 3.645 1.00 0.00 N ATOM 810 CA ALA A 52 8.350 -0.560 2.562 1.00 0.00 C ATOM 811 C ALA A 52 7.966 0.893 2.307 1.00 0.00 C ATOM 812 O ALA A 52 6.870 1.327 2.661 1.00 0.00 O ATOM 813 CB ALA A 52 8.180 -1.384 1.294 1.00 0.00 C ATOM 0 H ALA A 52 6.597 -0.793 3.688 1.00 0.00 H new ATOM 0 HA ALA A 52 9.398 -0.583 2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.777 -0.947 0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.512 -2.406 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.130 -1.390 1.002 1.00 0.00 H new ATOM 819 N PHE A 53 8.875 1.642 1.693 1.00 0.00 N ATOM 820 CA PHE A 53 8.633 3.048 1.392 1.00 0.00 C ATOM 821 C PHE A 53 8.655 3.294 -0.113 1.00 0.00 C ATOM 822 O PHE A 53 9.714 3.273 -0.741 1.00 0.00 O ATOM 823 CB PHE A 53 9.680 3.927 2.080 1.00 0.00 C ATOM 824 CG PHE A 53 9.393 4.174 3.534 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.167 4.679 3.936 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.350 3.902 4.499 1.00 0.00 C ATOM 827 CE1 PHE A 53 7.901 4.909 5.272 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.090 4.128 5.836 1.00 0.00 C ATOM 829 CZ PHE A 53 8.864 4.632 6.224 1.00 0.00 C ATOM 0 H PHE A 53 9.788 1.298 1.394 1.00 0.00 H new ATOM 0 HA PHE A 53 7.645 3.309 1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.658 3.455 1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.737 4.884 1.561 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.410 4.895 3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.311 3.508 4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.942 5.305 5.572 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.844 3.911 6.578 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.658 4.809 7.269 1.00 0.00 H new ATOM 839 N VAL A 54 7.479 3.527 -0.686 1.00 0.00 N ATOM 840 CA VAL A 54 7.362 3.777 -2.118 1.00 0.00 C ATOM 841 C VAL A 54 6.844 5.186 -2.389 1.00 0.00 C ATOM 842 O VAL A 54 5.974 5.686 -1.676 1.00 0.00 O ATOM 843 CB VAL A 54 6.423 2.758 -2.792 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.432 2.942 -4.301 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.819 1.339 -2.415 1.00 0.00 C ATOM 0 H VAL A 54 6.593 3.548 -0.181 1.00 0.00 H new ATOM 0 HA VAL A 54 8.361 3.672 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 54 5.408 2.933 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.763 2.214 -4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.096 3.949 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.444 2.795 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.145 0.632 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.841 1.148 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.754 1.218 -1.334 1.00 0.00 H new ATOM 855 N HIS A 55 7.386 5.820 -3.423 1.00 0.00 N ATOM 856 CA HIS A 55 6.978 7.171 -3.790 1.00 0.00 C ATOM 857 C HIS A 55 6.274 7.179 -5.144 1.00 0.00 C ATOM 858 O HIS A 55 6.522 6.318 -5.988 1.00 0.00 O ATOM 859 CB HIS A 55 8.191 8.101 -3.829 1.00 0.00 C ATOM 860 CG HIS A 55 8.773 8.383 -2.478 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.764 9.636 -1.901 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.382 7.565 -1.587 1.00 0.00 C ATOM 863 CE1 HIS A 55 9.344 9.576 -0.716 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.727 8.331 -0.502 1.00 0.00 N ATOM 0 H HIS A 55 8.109 5.420 -4.022 1.00 0.00 H new ATOM 0 HA HIS A 55 6.279 7.529 -3.034 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.960 7.656 -4.461 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.901 9.043 -4.295 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.562 6.507 -1.708 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.482 10.405 -0.037 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.203 7.993 0.335 1.00 0.00 H new ATOM 872 N PHE A 56 5.395 8.155 -5.343 1.00 0.00 N ATOM 873 CA PHE A 56 4.653 8.273 -6.594 1.00 0.00 C ATOM 874 C PHE A 56 4.846 9.654 -7.211 1.00 0.00 C ATOM 875 O PHE A 56 5.134 10.624 -6.511 1.00 0.00 O ATOM 876 CB PHE A 56 3.164 8.012 -6.355 1.00 0.00 C ATOM 877 CG PHE A 56 2.813 6.552 -6.304 1.00 0.00 C ATOM 878 CD1 PHE A 56 3.008 5.819 -5.144 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.288 5.912 -7.415 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.686 4.476 -5.094 1.00 0.00 C ATOM 881 CE2 PHE A 56 1.964 4.570 -7.372 1.00 0.00 C ATOM 882 CZ PHE A 56 2.162 3.851 -6.209 1.00 0.00 C ATOM 0 H PHE A 56 5.179 8.876 -4.655 1.00 0.00 H new ATOM 0 HA PHE A 56 5.038 7.527 -7.289 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.867 8.482 -5.418 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.588 8.489 -7.148 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.416 6.303 -4.269 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.130 6.470 -8.326 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.844 3.916 -4.184 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.557 4.084 -8.246 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.908 2.802 -6.172 1.00 0.00 H new ATOM 892 N GLU A 57 4.685 9.735 -8.529 1.00 0.00 N ATOM 893 CA GLU A 57 4.842 10.997 -9.241 1.00 0.00 C ATOM 894 C GLU A 57 3.925 12.069 -8.660 1.00 0.00 C ATOM 895 O GLU A 57 4.213 13.262 -8.749 1.00 0.00 O ATOM 896 CB GLU A 57 4.543 10.809 -10.730 1.00 0.00 C ATOM 897 CG GLU A 57 5.790 10.718 -11.594 1.00 0.00 C ATOM 898 CD GLU A 57 5.686 11.550 -12.857 1.00 0.00 C ATOM 899 OE1 GLU A 57 4.684 11.398 -13.587 1.00 0.00 O ATOM 900 OE2 GLU A 57 6.606 12.354 -13.116 1.00 0.00 O ATOM 0 H GLU A 57 4.446 8.942 -9.124 1.00 0.00 H new ATOM 0 HA GLU A 57 5.875 11.324 -9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.953 9.902 -10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.931 11.641 -11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.653 11.048 -11.016 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.966 9.676 -11.863 1.00 0.00 H new ATOM 907 N ASP A 58 2.820 11.634 -8.064 1.00 0.00 N ATOM 908 CA ASP A 58 1.860 12.554 -7.467 1.00 0.00 C ATOM 909 C ASP A 58 1.050 11.862 -6.375 1.00 0.00 C ATOM 910 O ASP A 58 1.322 10.716 -6.019 1.00 0.00 O ATOM 911 CB ASP A 58 0.922 13.113 -8.538 1.00 0.00 C ATOM 912 CG ASP A 58 0.569 14.567 -8.297 1.00 0.00 C ATOM 913 OD1 ASP A 58 1.448 15.323 -7.834 1.00 0.00 O ATOM 914 OD2 ASP A 58 -0.588 14.951 -8.570 1.00 0.00 O ATOM 0 H ASP A 58 2.567 10.649 -7.982 1.00 0.00 H new ATOM 0 HA ASP A 58 2.415 13.377 -7.016 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.392 13.014 -9.516 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.008 12.519 -8.562 1.00 0.00 H new ATOM 919 N ARG A 59 0.054 12.567 -5.848 1.00 0.00 N ATOM 920 CA ARG A 59 -0.795 12.021 -4.795 1.00 0.00 C ATOM 921 C ARG A 59 -1.851 11.085 -5.378 1.00 0.00 C ATOM 922 O ARG A 59 -2.153 10.041 -4.804 1.00 0.00 O ATOM 923 CB ARG A 59 -1.472 13.152 -4.019 1.00 0.00 C ATOM 924 CG ARG A 59 -2.538 12.671 -3.048 1.00 0.00 C ATOM 925 CD ARG A 59 -3.934 12.841 -3.625 1.00 0.00 C ATOM 926 NE ARG A 59 -4.971 12.664 -2.612 1.00 0.00 N ATOM 927 CZ ARG A 59 -6.238 13.021 -2.787 1.00 0.00 C ATOM 928 NH1 ARG A 59 -6.625 13.571 -3.930 1.00 0.00 N ATOM 929 NH2 ARG A 59 -7.124 12.828 -1.817 1.00 0.00 N ATOM 0 H ARG A 59 -0.185 13.517 -6.133 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.164 11.449 -4.114 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.714 13.707 -3.467 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.924 13.847 -4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.367 11.621 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.459 13.227 -2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.025 13.833 -4.067 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.085 12.119 -4.428 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.708 12.243 -1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.949 13.721 -4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.599 13.844 -4.061 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.832 12.405 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.097 13.103 -1.953 1.00 0.00 H new ATOM 943 N GLY A 60 -2.408 11.470 -6.522 1.00 0.00 N ATOM 944 CA GLY A 60 -3.423 10.656 -7.162 1.00 0.00 C ATOM 945 C GLY A 60 -2.939 9.250 -7.457 1.00 0.00 C ATOM 946 O GLY A 60 -3.593 8.272 -7.094 1.00 0.00 O ATOM 0 H GLY A 60 -2.174 12.331 -7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.303 10.607 -6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.733 11.133 -8.092 1.00 0.00 H new ATOM 950 N ALA A 61 -1.791 9.148 -8.119 1.00 0.00 N ATOM 951 CA ALA A 61 -1.220 7.850 -8.461 1.00 0.00 C ATOM 952 C ALA A 61 -1.099 6.961 -7.228 1.00 0.00 C ATOM 953 O ALA A 61 -1.150 5.736 -7.328 1.00 0.00 O ATOM 954 CB ALA A 61 0.140 8.031 -9.120 1.00 0.00 C ATOM 0 H ALA A 61 -1.238 9.947 -8.429 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.891 7.359 -9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.556 7.055 -9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.028 8.622 -10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.812 8.546 -8.433 1.00 0.00 H new ATOM 960 N ALA A 62 -0.938 7.587 -6.066 1.00 0.00 N ATOM 961 CA ALA A 62 -0.812 6.851 -4.814 1.00 0.00 C ATOM 962 C ALA A 62 -2.174 6.390 -4.308 1.00 0.00 C ATOM 963 O ALA A 62 -2.348 5.231 -3.930 1.00 0.00 O ATOM 964 CB ALA A 62 -0.120 7.709 -3.766 1.00 0.00 C ATOM 0 H ALA A 62 -0.892 8.601 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.205 5.965 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.032 7.147 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.874 7.984 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.705 8.612 -3.591 1.00 0.00 H new ATOM 970 N VAL A 63 -3.139 7.304 -4.305 1.00 0.00 N ATOM 971 CA VAL A 63 -4.487 6.990 -3.845 1.00 0.00 C ATOM 972 C VAL A 63 -5.132 5.924 -4.723 1.00 0.00 C ATOM 973 O VAL A 63 -5.638 4.918 -4.226 1.00 0.00 O ATOM 974 CB VAL A 63 -5.382 8.243 -3.836 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.776 7.901 -3.334 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.756 9.340 -2.988 1.00 0.00 C ATOM 0 H VAL A 63 -3.013 8.267 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.395 6.611 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.470 8.611 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.394 8.799 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.224 7.152 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.711 7.506 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.402 10.218 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.635 8.985 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.781 9.605 -3.398 1.00 0.00 H new ATOM 986 N LYS A 64 -5.111 6.150 -6.031 1.00 0.00 N ATOM 987 CA LYS A 64 -5.693 5.208 -6.981 1.00 0.00 C ATOM 988 C LYS A 64 -5.073 3.824 -6.823 1.00 0.00 C ATOM 989 O LYS A 64 -5.720 2.811 -7.082 1.00 0.00 O ATOM 990 CB LYS A 64 -5.493 5.708 -8.413 1.00 0.00 C ATOM 991 CG LYS A 64 -6.010 4.748 -9.471 1.00 0.00 C ATOM 992 CD LYS A 64 -4.890 4.256 -10.373 1.00 0.00 C ATOM 993 CE LYS A 64 -5.393 3.229 -11.375 1.00 0.00 C ATOM 994 NZ LYS A 64 -4.473 3.092 -12.538 1.00 0.00 N ATOM 0 H LYS A 64 -4.697 6.978 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.761 5.134 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.997 6.667 -8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.431 5.884 -8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.490 3.897 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.772 5.244 -10.073 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.452 5.101 -10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.099 3.816 -9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.501 2.263 -10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.383 3.520 -11.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.777 2.291 -13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.494 3.966 -13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.505 2.923 -12.197 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.814 3.789 -6.395 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.109 2.529 -6.199 1.00 0.00 C ATOM 1010 C ALA A 65 -3.511 1.873 -4.883 1.00 0.00 C ATOM 1011 O ALA A 65 -4.015 0.751 -4.866 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.605 2.754 -6.242 1.00 0.00 C ATOM 0 H ALA A 65 -3.263 4.619 -6.178 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.388 1.855 -7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.091 1.804 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.327 3.170 -7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.318 3.449 -5.452 1.00 0.00 H new ATOM 1018 N MET A 66 -3.283 2.581 -3.781 1.00 0.00 N ATOM 1019 CA MET A 66 -3.623 2.067 -2.459 1.00 0.00 C ATOM 1020 C MET A 66 -5.103 1.709 -2.380 1.00 0.00 C ATOM 1021 O MET A 66 -5.503 0.854 -1.588 1.00 0.00 O ATOM 1022 CB MET A 66 -3.277 3.099 -1.383 1.00 0.00 C ATOM 1023 CG MET A 66 -3.796 2.733 -0.002 1.00 0.00 C ATOM 1024 SD MET A 66 -5.375 3.515 0.377 1.00 0.00 S ATOM 1025 CE MET A 66 -4.853 5.200 0.686 1.00 0.00 C ATOM 0 H MET A 66 -2.865 3.511 -3.777 1.00 0.00 H new ATOM 0 HA MET A 66 -3.039 1.163 -2.286 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.194 3.214 -1.337 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.689 4.066 -1.673 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.906 1.651 0.065 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.061 3.026 0.747 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.483 5.640 1.459 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.815 5.204 1.018 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.943 5.783 -0.231 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.912 2.367 -3.202 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.349 2.117 -3.225 1.00 0.00 C ATOM 1037 C ASP A 67 -7.640 0.650 -3.523 1.00 0.00 C ATOM 1038 O ASP A 67 -8.467 0.025 -2.860 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.026 3.008 -4.268 1.00 0.00 C ATOM 1040 CG ASP A 67 -8.712 4.207 -3.646 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -8.021 5.012 -2.988 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -9.942 4.343 -3.819 1.00 0.00 O ATOM 0 H ASP A 67 -5.597 3.078 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.751 2.355 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.282 3.351 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.758 2.421 -4.823 1.00 0.00 H new ATOM 1047 N GLU A 68 -6.955 0.107 -4.526 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.143 -1.286 -4.912 1.00 0.00 C ATOM 1049 C GLU A 68 -6.152 -2.190 -4.186 1.00 0.00 C ATOM 1050 O GLU A 68 -6.521 -3.243 -3.668 1.00 0.00 O ATOM 1051 CB GLU A 68 -6.982 -1.444 -6.425 1.00 0.00 C ATOM 1052 CG GLU A 68 -7.715 -0.384 -7.230 1.00 0.00 C ATOM 1053 CD GLU A 68 -9.211 -0.390 -6.976 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -9.773 -1.485 -6.765 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -9.817 0.702 -6.987 1.00 0.00 O ATOM 0 H GLU A 68 -6.266 0.611 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.153 -1.583 -4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.922 -1.409 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.346 -2.428 -6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.312 0.598 -6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.530 -0.546 -8.292 1.00 0.00 H new ATOM 1062 N MET A 69 -4.891 -1.771 -4.154 1.00 0.00 N ATOM 1063 CA MET A 69 -3.846 -2.543 -3.491 1.00 0.00 C ATOM 1064 C MET A 69 -4.252 -2.894 -2.064 1.00 0.00 C ATOM 1065 O MET A 69 -3.877 -3.943 -1.543 1.00 0.00 O ATOM 1066 CB MET A 69 -2.532 -1.760 -3.482 1.00 0.00 C ATOM 1067 CG MET A 69 -1.933 -1.561 -4.865 1.00 0.00 C ATOM 1068 SD MET A 69 -1.252 -3.083 -5.551 1.00 0.00 S ATOM 1069 CE MET A 69 0.039 -3.444 -4.362 1.00 0.00 C ATOM 0 H MET A 69 -4.568 -0.902 -4.579 1.00 0.00 H new ATOM 0 HA MET A 69 -3.705 -3.469 -4.048 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.703 -0.785 -3.025 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.811 -2.284 -2.855 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.700 -1.175 -5.537 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.147 -0.807 -4.812 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.000 -3.498 -4.874 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.072 -2.655 -3.610 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.169 -4.398 -3.878 1.00 0.00 H new ATOM 1079 N ASN A 70 -5.020 -2.009 -1.437 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.477 -2.226 -0.069 1.00 0.00 C ATOM 1081 C ASN A 70 -6.203 -3.562 0.057 1.00 0.00 C ATOM 1082 O ASN A 70 -7.364 -3.688 -0.329 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.399 -1.088 0.370 1.00 0.00 C ATOM 1084 CG ASN A 70 -7.231 -1.452 1.585 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -8.454 -1.560 1.505 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -6.567 -1.645 2.720 1.00 0.00 N ATOM 0 H ASN A 70 -5.339 -1.135 -1.854 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.602 -2.246 0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.800 -0.205 0.595 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.061 -0.823 -0.454 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.072 -1.893 3.571 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.552 -1.545 2.741 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.509 -4.558 0.601 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.104 -5.871 0.769 1.00 0.00 C ATOM 1095 C GLY A 71 -5.749 -6.817 -0.362 1.00 0.00 C ATOM 1096 O GLY A 71 -6.528 -7.707 -0.705 1.00 0.00 O ATOM 0 H GLY A 71 -4.546 -4.479 0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.771 -6.299 1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.188 -5.771 0.828 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.571 -6.623 -0.945 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.114 -7.465 -2.044 1.00 0.00 C ATOM 1102 C LYS A 72 -3.293 -8.641 -1.524 1.00 0.00 C ATOM 1103 O LYS A 72 -2.933 -8.686 -0.348 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.280 -6.644 -3.030 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.085 -6.086 -4.190 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.500 -7.180 -5.159 1.00 0.00 C ATOM 1107 CE LYS A 72 -3.413 -7.455 -6.188 1.00 0.00 C ATOM 1108 NZ LYS A 72 -3.274 -8.910 -6.473 1.00 0.00 N ATOM 0 H LYS A 72 -3.915 -5.890 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.992 -7.856 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.809 -5.819 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.478 -7.269 -3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.972 -5.581 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.494 -5.337 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.719 -8.094 -4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.419 -6.888 -5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.645 -6.925 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.462 -7.064 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.524 -9.055 -7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.028 -9.413 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.173 -9.279 -6.843 1.00 0.00 H new ATOM 1122 N GLU A 73 -3.001 -9.591 -2.408 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.222 -10.765 -2.037 1.00 0.00 C ATOM 1124 C GLU A 73 -0.916 -10.824 -2.824 1.00 0.00 C ATOM 1125 O GLU A 73 -0.887 -11.291 -3.963 1.00 0.00 O ATOM 1126 CB GLU A 73 -3.033 -12.039 -2.277 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.225 -13.316 -2.116 1.00 0.00 C ATOM 1128 CD GLU A 73 -3.048 -14.564 -2.369 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -3.709 -14.634 -3.427 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -3.032 -15.469 -1.510 1.00 0.00 O ATOM 0 H GLU A 73 -3.293 -9.570 -3.385 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.983 -10.689 -0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.873 -12.061 -1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.452 -12.009 -3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.381 -13.296 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.813 -13.356 -1.108 1.00 0.00 H new ATOM 1137 N ILE A 74 0.162 -10.348 -2.209 1.00 0.00 N ATOM 1138 CA ILE A 74 1.470 -10.347 -2.853 1.00 0.00 C ATOM 1139 C ILE A 74 2.292 -11.559 -2.428 1.00 0.00 C ATOM 1140 O ILE A 74 2.590 -11.735 -1.247 1.00 0.00 O ATOM 1141 CB ILE A 74 2.257 -9.065 -2.524 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.427 -7.827 -2.871 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.581 -9.049 -3.275 1.00 0.00 C ATOM 1144 CD1 ILE A 74 2.056 -6.530 -2.413 1.00 0.00 C ATOM 0 H ILE A 74 0.155 -9.958 -1.266 1.00 0.00 H new ATOM 0 HA ILE A 74 1.294 -10.390 -3.928 1.00 0.00 H new ATOM 0 HB ILE A 74 2.467 -9.050 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.280 -7.789 -3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.440 -7.923 -2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.126 -8.137 -3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.175 -9.915 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.391 -9.084 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.413 -5.695 -2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.178 -6.547 -1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.031 -6.411 -2.886 1.00 0.00 H new ATOM 1156 N GLU A 75 2.656 -12.389 -3.399 1.00 0.00 N ATOM 1157 CA GLU A 75 3.446 -13.584 -3.125 1.00 0.00 C ATOM 1158 C GLU A 75 2.740 -14.482 -2.113 1.00 0.00 C ATOM 1159 O GLU A 75 3.382 -15.116 -1.277 1.00 0.00 O ATOM 1160 CB GLU A 75 4.831 -13.198 -2.602 1.00 0.00 C ATOM 1161 CG GLU A 75 5.953 -14.061 -3.156 1.00 0.00 C ATOM 1162 CD GLU A 75 5.741 -15.538 -2.884 1.00 0.00 C ATOM 1163 OE1 GLU A 75 4.915 -16.157 -3.587 1.00 0.00 O ATOM 1164 OE2 GLU A 75 6.400 -16.074 -1.969 1.00 0.00 O ATOM 0 H GLU A 75 2.417 -12.257 -4.382 1.00 0.00 H new ATOM 0 HA GLU A 75 3.559 -14.136 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.028 -12.156 -2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.832 -13.269 -1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.032 -13.901 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.899 -13.746 -2.716 1.00 0.00 H new ATOM 1171 N GLY A 76 1.415 -14.531 -2.197 1.00 0.00 N ATOM 1172 CA GLY A 76 0.643 -15.352 -1.283 1.00 0.00 C ATOM 1173 C GLY A 76 0.770 -14.895 0.157 1.00 0.00 C ATOM 1174 O GLY A 76 0.596 -15.686 1.083 1.00 0.00 O ATOM 0 H GLY A 76 0.862 -14.016 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.406 -15.329 -1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.973 -16.388 -1.363 1.00 0.00 H new ATOM 1178 N GLU A 77 1.074 -13.614 0.344 1.00 0.00 N ATOM 1179 CA GLU A 77 1.227 -13.054 1.682 1.00 0.00 C ATOM 1180 C GLU A 77 0.280 -11.876 1.888 1.00 0.00 C ATOM 1181 O GLU A 77 0.117 -11.035 1.006 1.00 0.00 O ATOM 1182 CB GLU A 77 2.672 -12.607 1.911 1.00 0.00 C ATOM 1183 CG GLU A 77 3.613 -13.747 2.265 1.00 0.00 C ATOM 1184 CD GLU A 77 3.439 -14.222 3.694 1.00 0.00 C ATOM 1185 OE1 GLU A 77 2.456 -13.807 4.343 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.286 -15.011 4.164 1.00 0.00 O ATOM 0 H GLU A 77 1.219 -12.946 -0.413 1.00 0.00 H new ATOM 0 HA GLU A 77 0.977 -13.831 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.037 -12.112 1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.692 -11.868 2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.440 -14.581 1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.643 -13.423 2.116 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.343 -11.823 3.063 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.274 -10.749 3.385 1.00 0.00 C ATOM 1195 C GLU A 78 -0.538 -9.424 3.560 1.00 0.00 C ATOM 1196 O GLU A 78 0.161 -9.217 4.553 1.00 0.00 O ATOM 1197 CB GLU A 78 -2.053 -11.084 4.659 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.527 -11.361 4.416 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.406 -10.876 5.552 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -4.080 -11.167 6.722 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -5.422 -10.205 5.272 1.00 0.00 O ATOM 0 H GLU A 78 -0.219 -12.511 3.806 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.974 -10.649 2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.601 -11.956 5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.959 -10.256 5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.836 -10.876 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.674 -12.432 4.280 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.699 -8.531 2.589 1.00 0.00 N ATOM 1209 CA ILE A 79 -0.052 -7.227 2.635 1.00 0.00 C ATOM 1210 C ILE A 79 -1.007 -6.155 3.151 1.00 0.00 C ATOM 1211 O ILE A 79 -2.187 -6.144 2.801 1.00 0.00 O ATOM 1212 CB ILE A 79 0.472 -6.808 1.249 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.680 -6.734 0.246 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.537 -7.783 0.770 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.954 -5.335 -0.258 1.00 0.00 C ATOM 0 H ILE A 79 -1.273 -8.688 1.760 1.00 0.00 H new ATOM 0 HA ILE A 79 0.791 -7.319 3.320 1.00 0.00 H new ATOM 0 HB ILE A 79 0.922 -5.819 1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.454 -7.379 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.583 -7.127 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.898 -7.474 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.367 -7.791 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.110 -8.783 0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.783 -5.359 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.212 -4.690 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.065 -4.946 -0.755 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.488 -5.256 3.980 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.297 -4.180 4.541 1.00 0.00 C ATOM 1229 C GLU A 80 -0.888 -2.831 3.955 1.00 0.00 C ATOM 1230 O GLU A 80 0.253 -2.645 3.535 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.157 -4.149 6.065 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.488 -4.099 6.796 1.00 0.00 C ATOM 1233 CD GLU A 80 -2.684 -2.806 7.564 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -2.004 -2.618 8.593 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -3.519 -1.982 7.134 1.00 0.00 O ATOM 0 H GLU A 80 0.487 -5.251 4.278 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.339 -4.369 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.607 -5.032 6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.563 -3.281 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.298 -4.216 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.551 -4.940 7.486 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.831 -1.895 3.930 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.570 -0.563 3.397 1.00 0.00 C ATOM 1244 C ILE A 81 -2.275 0.508 4.223 1.00 0.00 C ATOM 1245 O ILE A 81 -3.445 0.364 4.576 1.00 0.00 O ATOM 1246 CB ILE A 81 -2.025 -0.446 1.930 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.490 -1.623 1.112 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.561 0.875 1.336 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.918 -1.594 -0.339 1.00 0.00 C ATOM 0 H ILE A 81 -2.782 -2.034 4.272 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.492 -0.407 3.449 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.114 -0.473 1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.401 -1.624 1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.831 -2.554 1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.890 0.943 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.987 1.700 1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.473 0.930 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.503 -2.458 -0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.006 -1.624 -0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.554 -0.680 -0.807 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.554 1.583 4.525 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.110 2.681 5.307 1.00 0.00 C ATOM 1263 C VAL A 82 -1.475 4.010 4.917 1.00 0.00 C ATOM 1264 O VAL A 82 -0.292 4.070 4.577 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.910 2.452 6.817 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.626 1.187 7.265 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.427 2.383 7.153 1.00 0.00 C ATOM 0 H VAL A 82 -0.584 1.717 4.240 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.178 2.715 5.091 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.343 3.295 7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.473 1.042 8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.692 1.281 7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.226 0.331 6.722 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.304 2.221 8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.032 1.559 6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.054 3.319 6.870 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.267 5.075 4.967 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.782 6.407 4.619 1.00 0.00 C ATOM 1279 C LEU A 83 -0.733 6.882 5.618 1.00 0.00 C ATOM 1280 O LEU A 83 -1.022 7.059 6.801 1.00 0.00 O ATOM 1281 CB LEU A 83 -2.946 7.399 4.574 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.767 7.411 3.284 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.110 8.089 3.513 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -3.000 8.107 2.170 1.00 0.00 C ATOM 0 H LEU A 83 -3.248 5.043 5.245 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.320 6.353 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.616 7.181 5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.550 8.401 4.739 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.950 6.380 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.681 8.088 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.664 7.548 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.948 9.117 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.600 8.106 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.786 9.135 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.064 7.579 1.988 1.00 0.00 H new ATOM 1296 N ALA A 84 0.488 7.089 5.134 1.00 0.00 N ATOM 1297 CA ALA A 84 1.579 7.548 5.983 1.00 0.00 C ATOM 1298 C ALA A 84 1.463 9.042 6.267 1.00 0.00 C ATOM 1299 O ALA A 84 1.792 9.873 5.420 1.00 0.00 O ATOM 1300 CB ALA A 84 2.920 7.235 5.334 1.00 0.00 C ATOM 0 H ALA A 84 0.745 6.946 4.157 1.00 0.00 H new ATOM 0 HA ALA A 84 1.515 7.018 6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.727 7.583 5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.011 6.159 5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.984 7.739 4.369 1.00 0.00 H new