USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 476 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 14 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.043) USER MOD Single : A 18 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.78) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0739 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= -1.91 (180deg=-2) USER MOD Single : A 32 HIS : no HD1:sc= -11.7! C(o=-12!,f=-14!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -154:sc= -2.63! (180deg=-4.3!) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 1.2 (180deg=1.1) USER MOD Single : A 41 THR OG1 : rot -128:sc= 0.457 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0619 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.379) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -162:sc= -4.77! USER MOD Single : A 76 GLN : amide:sc= 0.0275 X(o=0.027,f=0) USER MOD ----------------------------------------------------------------- ATOM 225 N GLU A 13 -6.457 1.963 -6.337 1.00 0.00 N ATOM 226 CA GLU A 13 -5.709 1.534 -7.512 1.00 0.00 C ATOM 227 C GLU A 13 -4.313 1.063 -7.123 1.00 0.00 C ATOM 228 O GLU A 13 -3.488 1.851 -6.659 1.00 0.00 O ATOM 229 CB GLU A 13 -5.609 2.677 -8.525 1.00 0.00 C ATOM 230 CG GLU A 13 -6.787 2.745 -9.482 1.00 0.00 C ATOM 231 CD GLU A 13 -6.807 4.028 -10.291 1.00 0.00 C ATOM 232 OE1 GLU A 13 -5.798 4.763 -10.263 1.00 0.00 O ATOM 233 OE2 GLU A 13 -7.832 4.295 -10.954 1.00 0.00 O ATOM 0 HA GLU A 13 -6.243 0.700 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.533 3.622 -7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.690 2.563 -9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.749 1.893 -10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.715 2.662 -8.917 1.00 0.00 H new ATOM 240 N HIS A 14 -4.054 -0.226 -7.308 1.00 0.00 N ATOM 241 CA HIS A 14 -2.755 -0.801 -6.964 1.00 0.00 C ATOM 242 C HIS A 14 -1.858 -0.886 -8.192 1.00 0.00 C ATOM 243 O HIS A 14 -2.170 -1.586 -9.156 1.00 0.00 O ATOM 244 CB HIS A 14 -2.908 -2.197 -6.339 1.00 0.00 C ATOM 245 CG HIS A 14 -4.287 -2.509 -5.837 1.00 0.00 C ATOM 246 ND1 HIS A 14 -4.988 -3.635 -6.215 1.00 0.00 N ATOM 247 CD2 HIS A 14 -5.096 -1.833 -4.986 1.00 0.00 C ATOM 248 CE1 HIS A 14 -6.166 -3.639 -5.618 1.00 0.00 C ATOM 249 NE2 HIS A 14 -6.255 -2.558 -4.867 1.00 0.00 N ATOM 0 H HIS A 14 -4.723 -0.893 -7.693 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.293 -0.141 -6.230 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.628 -2.945 -7.080 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.205 -2.289 -5.511 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.871 -0.899 -4.494 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.927 -4.398 -5.726 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.057 -2.302 -4.290 1.00 0.00 H new ATOM 258 N VAL A 15 -0.738 -0.174 -8.146 1.00 0.00 N ATOM 259 CA VAL A 15 0.219 -0.178 -9.246 1.00 0.00 C ATOM 260 C VAL A 15 1.544 -0.780 -8.796 1.00 0.00 C ATOM 261 O VAL A 15 1.925 -0.653 -7.636 1.00 0.00 O ATOM 262 CB VAL A 15 0.476 1.243 -9.785 1.00 0.00 C ATOM 263 CG1 VAL A 15 1.125 1.184 -11.159 1.00 0.00 C ATOM 264 CG2 VAL A 15 -0.815 2.053 -9.831 1.00 0.00 C ATOM 0 H VAL A 15 -0.470 0.414 -7.357 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.214 -0.781 -10.044 1.00 0.00 H new ATOM 0 HB VAL A 15 1.162 1.745 -9.102 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.299 2.197 -11.523 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.076 0.655 -11.090 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.466 0.658 -11.850 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.605 3.051 -10.215 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.533 1.557 -10.484 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.232 2.131 -8.827 1.00 0.00 H new ATOM 274 N ILE A 16 2.240 -1.445 -9.712 1.00 0.00 N ATOM 275 CA ILE A 16 3.528 -2.050 -9.386 1.00 0.00 C ATOM 276 C ILE A 16 4.675 -1.120 -9.770 1.00 0.00 C ATOM 277 O ILE A 16 4.799 -0.703 -10.922 1.00 0.00 O ATOM 278 CB ILE A 16 3.719 -3.424 -10.068 1.00 0.00 C ATOM 279 CG1 ILE A 16 2.671 -4.415 -9.551 1.00 0.00 C ATOM 280 CG2 ILE A 16 5.129 -3.958 -9.820 1.00 0.00 C ATOM 281 CD1 ILE A 16 2.952 -5.854 -9.923 1.00 0.00 C ATOM 0 H ILE A 16 1.938 -1.579 -10.677 1.00 0.00 H new ATOM 0 HA ILE A 16 3.536 -2.209 -8.308 1.00 0.00 H new ATOM 0 HB ILE A 16 3.587 -3.301 -11.143 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.614 -4.335 -8.465 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.694 -4.133 -9.943 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.243 -4.926 -10.308 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.860 -3.259 -10.226 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.292 -4.071 -8.748 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.166 -6.494 -9.521 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.979 -5.951 -11.008 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.914 -6.156 -9.508 1.00 0.00 H new ATOM 293 N LEU A 17 5.518 -0.820 -8.793 1.00 0.00 N ATOM 294 CA LEU A 17 6.650 0.068 -8.995 1.00 0.00 C ATOM 295 C LEU A 17 7.963 -0.690 -9.015 1.00 0.00 C ATOM 296 O LEU A 17 8.123 -1.697 -8.324 1.00 0.00 O ATOM 297 CB LEU A 17 6.701 1.094 -7.874 1.00 0.00 C ATOM 298 CG LEU A 17 5.798 2.298 -8.077 1.00 0.00 C ATOM 299 CD1 LEU A 17 4.893 2.487 -6.875 1.00 0.00 C ATOM 300 CD2 LEU A 17 6.633 3.541 -8.327 1.00 0.00 C ATOM 0 H LEU A 17 5.436 -1.184 -7.844 1.00 0.00 H new ATOM 0 HA LEU A 17 6.515 0.556 -9.960 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.428 0.605 -6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.728 1.441 -7.764 1.00 0.00 H new ATOM 0 HG LEU A 17 5.170 2.125 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.252 3.354 -7.035 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.276 1.599 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.500 2.645 -5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.975 4.398 -8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.282 3.722 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.242 3.397 -9.219 1.00 0.00 H new ATOM 312 N ASN A 18 8.921 -0.166 -9.762 1.00 0.00 N ATOM 313 CA ASN A 18 10.256 -0.730 -9.774 1.00 0.00 C ATOM 314 C ASN A 18 11.008 -0.222 -8.554 1.00 0.00 C ATOM 315 O ASN A 18 10.811 0.917 -8.130 1.00 0.00 O ATOM 316 CB ASN A 18 10.999 -0.346 -11.054 1.00 0.00 C ATOM 317 CG ASN A 18 10.099 -0.371 -12.275 1.00 0.00 C ATOM 318 OD1 ASN A 18 9.567 0.658 -12.688 1.00 0.00 O ATOM 319 ND2 ASN A 18 9.929 -1.551 -12.860 1.00 0.00 N ATOM 0 H ASN A 18 8.797 0.647 -10.366 1.00 0.00 H new ATOM 0 HA ASN A 18 10.190 -1.818 -9.744 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.423 0.651 -10.939 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.833 -1.031 -11.206 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.337 -1.630 -13.687 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.390 -2.379 -12.482 1.00 0.00 H new ATOM 326 N GLU A 19 11.851 -1.064 -7.974 1.00 0.00 N ATOM 327 CA GLU A 19 12.586 -0.687 -6.772 1.00 0.00 C ATOM 328 C GLU A 19 13.182 0.713 -6.906 1.00 0.00 C ATOM 329 O GLU A 19 13.251 1.457 -5.932 1.00 0.00 O ATOM 330 CB GLU A 19 13.684 -1.711 -6.485 1.00 0.00 C ATOM 331 CG GLU A 19 14.325 -1.550 -5.117 1.00 0.00 C ATOM 332 CD GLU A 19 15.840 -1.544 -5.181 1.00 0.00 C ATOM 333 OE1 GLU A 19 16.391 -1.006 -6.164 1.00 0.00 O ATOM 334 OE2 GLU A 19 16.475 -2.077 -4.247 1.00 0.00 O ATOM 0 H GLU A 19 12.043 -2.007 -8.312 1.00 0.00 H new ATOM 0 HA GLU A 19 11.887 -0.673 -5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.264 -2.714 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.456 -1.628 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.980 -0.620 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.995 -2.361 -4.468 1.00 0.00 H new ATOM 341 N SER A 20 13.540 1.090 -8.130 1.00 0.00 N ATOM 342 CA SER A 20 14.088 2.417 -8.390 1.00 0.00 C ATOM 343 C SER A 20 12.984 3.472 -8.379 1.00 0.00 C ATOM 344 O SER A 20 13.091 4.493 -7.700 1.00 0.00 O ATOM 345 CB SER A 20 14.815 2.437 -9.736 1.00 0.00 C ATOM 346 OG SER A 20 14.210 1.543 -10.654 1.00 0.00 O ATOM 0 H SER A 20 13.461 0.497 -8.956 1.00 0.00 H new ATOM 0 HA SER A 20 14.799 2.651 -7.598 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.802 3.447 -10.145 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.861 2.164 -9.593 1.00 0.00 H new ATOM 0 HG SER A 20 14.691 1.575 -11.507 1.00 0.00 H new ATOM 352 N GLU A 21 11.922 3.215 -9.139 1.00 0.00 N ATOM 353 CA GLU A 21 10.785 4.129 -9.213 1.00 0.00 C ATOM 354 C GLU A 21 10.131 4.284 -7.855 1.00 0.00 C ATOM 355 O GLU A 21 9.759 5.380 -7.453 1.00 0.00 O ATOM 356 CB GLU A 21 9.745 3.610 -10.207 1.00 0.00 C ATOM 357 CG GLU A 21 9.206 4.685 -11.134 1.00 0.00 C ATOM 358 CD GLU A 21 8.225 4.141 -12.152 1.00 0.00 C ATOM 359 OE1 GLU A 21 8.515 3.085 -12.753 1.00 0.00 O ATOM 360 OE2 GLU A 21 7.164 4.771 -12.350 1.00 0.00 O ATOM 0 H GLU A 21 11.825 2.378 -9.714 1.00 0.00 H new ATOM 0 HA GLU A 21 11.159 5.097 -9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.190 2.815 -10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.916 3.167 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.717 5.458 -10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.037 5.160 -11.655 1.00 0.00 H new ATOM 367 N ALA A 22 9.952 3.172 -7.170 1.00 0.00 N ATOM 368 CA ALA A 22 9.330 3.194 -5.863 1.00 0.00 C ATOM 369 C ALA A 22 10.239 3.870 -4.848 1.00 0.00 C ATOM 370 O ALA A 22 9.769 4.457 -3.874 1.00 0.00 O ATOM 371 CB ALA A 22 8.976 1.784 -5.432 1.00 0.00 C ATOM 0 H ALA A 22 10.228 2.246 -7.496 1.00 0.00 H new ATOM 0 HA ALA A 22 8.409 3.775 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.509 1.811 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.283 1.347 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.882 1.179 -5.387 1.00 0.00 H new ATOM 377 N LYS A 23 11.544 3.807 -5.095 1.00 0.00 N ATOM 378 CA LYS A 23 12.515 4.421 -4.201 1.00 0.00 C ATOM 379 C LYS A 23 12.351 5.936 -4.164 1.00 0.00 C ATOM 380 O LYS A 23 12.255 6.527 -3.089 1.00 0.00 O ATOM 381 CB LYS A 23 13.941 4.062 -4.626 1.00 0.00 C ATOM 382 CG LYS A 23 14.702 3.270 -3.572 1.00 0.00 C ATOM 383 CD LYS A 23 15.120 1.903 -4.087 1.00 0.00 C ATOM 384 CE LYS A 23 16.269 1.328 -3.275 1.00 0.00 C ATOM 385 NZ LYS A 23 17.587 1.582 -3.920 1.00 0.00 N ATOM 0 H LYS A 23 11.951 3.338 -5.904 1.00 0.00 H new ATOM 0 HA LYS A 23 12.334 4.031 -3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.903 3.483 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.488 4.978 -4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.586 3.829 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.078 3.150 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.269 1.223 -4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.416 1.982 -5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.263 1.766 -2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.126 0.254 -3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.344 1.174 -3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.603 1.142 -4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.736 2.607 -4.014 1.00 0.00 H new ATOM 399 N ARG A 24 12.336 6.567 -5.336 1.00 0.00 N ATOM 400 CA ARG A 24 12.176 8.014 -5.399 1.00 0.00 C ATOM 401 C ARG A 24 10.835 8.424 -4.842 1.00 0.00 C ATOM 402 O ARG A 24 10.731 9.405 -4.124 1.00 0.00 O ATOM 403 CB ARG A 24 12.284 8.536 -6.829 1.00 0.00 C ATOM 404 CG ARG A 24 11.233 8.001 -7.756 1.00 0.00 C ATOM 405 CD ARG A 24 11.546 8.341 -9.200 1.00 0.00 C ATOM 406 NE ARG A 24 10.542 7.817 -10.122 1.00 0.00 N ATOM 407 CZ ARG A 24 10.508 8.113 -11.417 1.00 0.00 C ATOM 408 NH1 ARG A 24 11.423 8.918 -11.939 1.00 0.00 N ATOM 409 NH2 ARG A 24 9.562 7.602 -12.192 1.00 0.00 N ATOM 0 H ARG A 24 12.431 6.106 -6.241 1.00 0.00 H new ATOM 0 HA ARG A 24 12.981 8.445 -4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.220 9.624 -6.813 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.267 8.280 -7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.162 6.919 -7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.262 8.415 -7.485 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.608 9.424 -9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.524 7.937 -9.463 1.00 0.00 H new ATOM 0 HE ARG A 24 9.828 7.190 -9.752 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.154 9.311 -11.346 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.396 9.144 -12.933 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.858 6.980 -11.795 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.538 7.831 -13.186 1.00 0.00 H new ATOM 423 N VAL A 25 9.801 7.698 -5.225 1.00 0.00 N ATOM 424 CA VAL A 25 8.454 8.023 -4.796 1.00 0.00 C ATOM 425 C VAL A 25 8.340 7.976 -3.279 1.00 0.00 C ATOM 426 O VAL A 25 7.886 8.930 -2.651 1.00 0.00 O ATOM 427 CB VAL A 25 7.409 7.082 -5.416 1.00 0.00 C ATOM 428 CG1 VAL A 25 6.008 7.617 -5.161 1.00 0.00 C ATOM 429 CG2 VAL A 25 7.660 6.906 -6.909 1.00 0.00 C ATOM 0 H VAL A 25 9.868 6.881 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 25 8.251 9.036 -5.144 1.00 0.00 H new ATOM 0 HB VAL A 25 7.497 6.103 -4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.275 6.943 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.835 7.686 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.909 8.606 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.909 6.236 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.599 7.875 -7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.652 6.481 -7.064 1.00 0.00 H new ATOM 439 N LEU A 26 8.771 6.867 -2.692 1.00 0.00 N ATOM 440 CA LEU A 26 8.735 6.710 -1.249 1.00 0.00 C ATOM 441 C LEU A 26 9.397 7.897 -0.568 1.00 0.00 C ATOM 442 O LEU A 26 8.815 8.528 0.315 1.00 0.00 O ATOM 443 CB LEU A 26 9.438 5.415 -0.852 1.00 0.00 C ATOM 444 CG LEU A 26 8.562 4.427 -0.090 1.00 0.00 C ATOM 445 CD1 LEU A 26 8.965 2.999 -0.405 1.00 0.00 C ATOM 446 CD2 LEU A 26 8.650 4.700 1.396 1.00 0.00 C ATOM 0 H LEU A 26 9.149 6.064 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 26 7.695 6.664 -0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.812 4.929 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.305 5.661 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 26 7.527 4.557 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.327 2.310 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.853 2.817 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.005 2.842 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.022 3.990 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.683 4.592 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.308 5.715 1.600 1.00 0.00 H new ATOM 458 N LYS A 27 10.620 8.196 -0.988 1.00 0.00 N ATOM 459 CA LYS A 27 11.372 9.302 -0.420 1.00 0.00 C ATOM 460 C LYS A 27 10.788 10.635 -0.863 1.00 0.00 C ATOM 461 O LYS A 27 10.805 11.614 -0.116 1.00 0.00 O ATOM 462 CB LYS A 27 12.834 9.185 -0.805 1.00 0.00 C ATOM 463 CG LYS A 27 13.493 7.992 -0.149 1.00 0.00 C ATOM 464 CD LYS A 27 14.264 8.397 1.099 1.00 0.00 C ATOM 465 CE LYS A 27 13.574 7.928 2.374 1.00 0.00 C ATOM 466 NZ LYS A 27 12.812 9.025 3.031 1.00 0.00 N ATOM 0 H LYS A 27 11.111 7.685 -1.722 1.00 0.00 H new ATOM 0 HA LYS A 27 11.299 9.258 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.919 9.097 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.360 10.095 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.734 7.255 0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.170 7.514 -0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.269 7.978 1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.371 9.481 1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.897 7.107 2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.319 7.538 3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.400 8.677 3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.452 9.820 3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.051 9.346 2.399 1.00 0.00 H new ATOM 480 N GLU A 28 10.223 10.650 -2.063 1.00 0.00 N ATOM 481 CA GLU A 28 9.544 11.825 -2.576 1.00 0.00 C ATOM 482 C GLU A 28 8.361 12.136 -1.671 1.00 0.00 C ATOM 483 O GLU A 28 8.044 13.292 -1.398 1.00 0.00 O ATOM 484 CB GLU A 28 9.060 11.564 -4.005 1.00 0.00 C ATOM 485 CG GLU A 28 10.120 11.798 -5.073 1.00 0.00 C ATOM 486 CD GLU A 28 9.747 12.915 -6.029 1.00 0.00 C ATOM 487 OE1 GLU A 28 8.628 12.876 -6.580 1.00 0.00 O ATOM 488 OE2 GLU A 28 10.576 13.829 -6.224 1.00 0.00 O ATOM 0 H GLU A 28 10.224 9.854 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 28 10.228 12.673 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.709 10.534 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.204 12.207 -4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.068 12.038 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.272 10.878 -5.637 1.00 0.00 H new ATOM 495 N LEU A 29 7.747 11.065 -1.178 1.00 0.00 N ATOM 496 CA LEU A 29 6.624 11.154 -0.257 1.00 0.00 C ATOM 497 C LEU A 29 7.090 11.510 1.158 1.00 0.00 C ATOM 498 O LEU A 29 6.270 11.759 2.042 1.00 0.00 O ATOM 499 CB LEU A 29 5.889 9.821 -0.228 1.00 0.00 C ATOM 500 CG LEU A 29 4.776 9.679 -1.268 1.00 0.00 C ATOM 501 CD1 LEU A 29 5.348 9.711 -2.678 1.00 0.00 C ATOM 502 CD2 LEU A 29 4.003 8.397 -1.036 1.00 0.00 C ATOM 0 H LEU A 29 8.017 10.109 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 29 5.958 11.944 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.613 9.020 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.460 9.680 0.764 1.00 0.00 H new ATOM 0 HG LEU A 29 4.093 10.522 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.539 9.608 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.862 10.658 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.053 8.889 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.214 8.308 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.678 7.545 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.560 8.414 -0.040 1.00 0.00 H new ATOM 514 N ASP A 30 8.413 11.509 1.368 1.00 0.00 N ATOM 515 CA ASP A 30 9.016 11.807 2.670 1.00 0.00 C ATOM 516 C ASP A 30 9.116 10.548 3.526 1.00 0.00 C ATOM 517 O ASP A 30 8.752 10.555 4.701 1.00 0.00 O ATOM 518 CB ASP A 30 8.235 12.892 3.417 1.00 0.00 C ATOM 519 CG ASP A 30 9.055 13.546 4.511 1.00 0.00 C ATOM 520 OD1 ASP A 30 10.229 13.881 4.253 1.00 0.00 O ATOM 521 OD2 ASP A 30 8.523 13.721 5.628 1.00 0.00 O ATOM 0 H ASP A 30 9.094 11.301 0.638 1.00 0.00 H new ATOM 0 HA ASP A 30 10.022 12.183 2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.907 13.653 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.337 12.454 3.853 1.00 0.00 H new ATOM 526 N ALA A 31 9.632 9.474 2.933 1.00 0.00 N ATOM 527 CA ALA A 31 9.787 8.210 3.645 1.00 0.00 C ATOM 528 C ALA A 31 10.561 7.190 2.813 1.00 0.00 C ATOM 529 O ALA A 31 10.776 7.378 1.621 1.00 0.00 O ATOM 530 CB ALA A 31 8.424 7.647 4.019 1.00 0.00 C ATOM 0 H ALA A 31 9.949 9.454 1.964 1.00 0.00 H new ATOM 0 HA ALA A 31 10.358 8.408 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.553 6.704 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.901 8.356 4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.840 7.477 3.115 1.00 0.00 H new ATOM 536 N HIS A 32 10.974 6.108 3.452 1.00 0.00 N ATOM 537 CA HIS A 32 11.677 5.031 2.765 1.00 0.00 C ATOM 538 C HIS A 32 10.931 3.719 2.973 1.00 0.00 C ATOM 539 O HIS A 32 10.058 3.629 3.837 1.00 0.00 O ATOM 540 CB HIS A 32 13.127 4.895 3.236 1.00 0.00 C ATOM 541 CG HIS A 32 14.168 5.093 2.168 1.00 0.00 C ATOM 542 ND1 HIS A 32 13.887 5.120 0.814 1.00 0.00 N ATOM 543 CD2 HIS A 32 15.507 5.277 2.271 1.00 0.00 C ATOM 544 CE1 HIS A 32 15.006 5.308 0.137 1.00 0.00 C ATOM 545 NE2 HIS A 32 16.000 5.407 0.997 1.00 0.00 N ATOM 0 H HIS A 32 10.835 5.950 4.450 1.00 0.00 H new ATOM 0 HA HIS A 32 11.705 5.276 1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.303 5.619 4.032 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.260 3.904 3.671 1.00 0.00 H new ATOM 0 HD2 HIS A 32 16.080 5.314 3.186 1.00 0.00 H new ATOM 0 HE1 HIS A 32 15.092 5.370 -0.938 1.00 0.00 H new ATOM 0 HE2 HIS A 32 16.979 5.556 0.754 1.00 0.00 H new ATOM 554 N PRO A 33 11.120 2.754 2.067 1.00 0.00 N ATOM 555 CA PRO A 33 10.425 1.478 2.140 1.00 0.00 C ATOM 556 C PRO A 33 10.684 0.761 3.459 1.00 0.00 C ATOM 557 O PRO A 33 9.798 0.092 3.991 1.00 0.00 O ATOM 558 CB PRO A 33 10.964 0.680 0.952 1.00 0.00 C ATOM 559 CG PRO A 33 12.209 1.370 0.515 1.00 0.00 C ATOM 560 CD PRO A 33 12.133 2.786 1.010 1.00 0.00 C ATOM 0 HA PRO A 33 9.343 1.603 2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.171 -0.351 1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.234 0.646 0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.088 0.868 0.919 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.300 1.347 -0.571 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.096 3.124 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.850 3.471 0.211 1.00 0.00 H new ATOM 568 N GLU A 34 11.879 0.949 4.013 1.00 0.00 N ATOM 569 CA GLU A 34 12.216 0.353 5.300 1.00 0.00 C ATOM 570 C GLU A 34 11.217 0.811 6.353 1.00 0.00 C ATOM 571 O GLU A 34 10.814 0.042 7.225 1.00 0.00 O ATOM 572 CB GLU A 34 13.632 0.743 5.723 1.00 0.00 C ATOM 573 CG GLU A 34 13.996 2.179 5.390 1.00 0.00 C ATOM 574 CD GLU A 34 14.966 2.280 4.229 1.00 0.00 C ATOM 575 OE1 GLU A 34 14.969 1.367 3.377 1.00 0.00 O ATOM 576 OE2 GLU A 34 15.723 3.272 4.173 1.00 0.00 O ATOM 0 H GLU A 34 12.624 1.505 3.594 1.00 0.00 H new ATOM 0 HA GLU A 34 12.172 -0.732 5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.735 0.591 6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.343 0.075 5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.089 2.734 5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.436 2.652 6.268 1.00 0.00 H new ATOM 583 N GLN A 35 10.804 2.067 6.238 1.00 0.00 N ATOM 584 CA GLN A 35 9.827 2.645 7.148 1.00 0.00 C ATOM 585 C GLN A 35 8.437 2.112 6.846 1.00 0.00 C ATOM 586 O GLN A 35 7.795 1.489 7.690 1.00 0.00 O ATOM 587 CB GLN A 35 9.844 4.167 7.022 1.00 0.00 C ATOM 588 CG GLN A 35 10.262 4.870 8.297 1.00 0.00 C ATOM 589 CD GLN A 35 9.348 6.026 8.655 1.00 0.00 C ATOM 590 OE1 GLN A 35 9.119 6.924 7.846 1.00 0.00 O ATOM 591 NE2 GLN A 35 8.820 6.007 9.873 1.00 0.00 N ATOM 0 H GLN A 35 11.135 2.708 5.517 1.00 0.00 H new ATOM 0 HA GLN A 35 10.089 2.365 8.169 1.00 0.00 H new ATOM 0 HB2 GLN A 35 10.525 4.450 6.219 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.851 4.512 6.734 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.271 4.152 9.117 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.282 5.239 8.186 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.038 5.242 10.511 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.197 6.758 10.170 1.00 0.00 H new ATOM 600 N LEU A 36 7.994 2.352 5.624 1.00 0.00 N ATOM 601 CA LEU A 36 6.683 1.895 5.174 1.00 0.00 C ATOM 602 C LEU A 36 6.480 0.417 5.502 1.00 0.00 C ATOM 603 O LEU A 36 7.433 -0.293 5.829 1.00 0.00 O ATOM 604 CB LEU A 36 6.528 2.117 3.663 1.00 0.00 C ATOM 605 CG LEU A 36 5.559 3.223 3.250 1.00 0.00 C ATOM 606 CD1 LEU A 36 5.727 4.426 4.145 1.00 0.00 C ATOM 607 CD2 LEU A 36 5.774 3.604 1.793 1.00 0.00 C ATOM 0 H LEU A 36 8.524 2.864 4.919 1.00 0.00 H new ATOM 0 HA LEU A 36 5.926 2.476 5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.509 2.345 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.198 1.182 3.209 1.00 0.00 H new ATOM 0 HG LEU A 36 4.540 2.851 3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.030 5.207 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.524 4.142 5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.748 4.799 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.075 4.393 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.795 3.960 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.606 2.732 1.160 1.00 0.00 H new ATOM 619 N PRO A 37 5.231 -0.070 5.409 1.00 0.00 N ATOM 620 CA PRO A 37 4.904 -1.466 5.695 1.00 0.00 C ATOM 621 C PRO A 37 5.215 -2.390 4.521 1.00 0.00 C ATOM 622 O PRO A 37 4.947 -2.054 3.368 1.00 0.00 O ATOM 623 CB PRO A 37 3.400 -1.417 5.946 1.00 0.00 C ATOM 624 CG PRO A 37 2.911 -0.287 5.106 1.00 0.00 C ATOM 625 CD PRO A 37 4.039 0.711 5.027 1.00 0.00 C ATOM 0 HA PRO A 37 5.485 -1.863 6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.921 -2.355 5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.180 -1.250 7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.632 -0.636 4.112 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.023 0.166 5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.137 1.124 4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.878 1.551 5.703 1.00 0.00 H new ATOM 633 N LYS A 38 5.769 -3.559 4.823 1.00 0.00 N ATOM 634 CA LYS A 38 6.100 -4.536 3.792 1.00 0.00 C ATOM 635 C LYS A 38 5.362 -5.845 4.037 1.00 0.00 C ATOM 636 O LYS A 38 5.446 -6.421 5.121 1.00 0.00 O ATOM 637 CB LYS A 38 7.608 -4.803 3.746 1.00 0.00 C ATOM 638 CG LYS A 38 8.464 -3.685 4.313 1.00 0.00 C ATOM 639 CD LYS A 38 8.582 -2.519 3.352 1.00 0.00 C ATOM 640 CE LYS A 38 9.982 -2.439 2.775 1.00 0.00 C ATOM 641 NZ LYS A 38 10.995 -2.111 3.814 1.00 0.00 N ATOM 0 H LYS A 38 5.998 -3.853 5.772 1.00 0.00 H new ATOM 0 HA LYS A 38 5.788 -4.120 2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.819 -5.720 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.901 -4.979 2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.033 -3.339 5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.458 -4.069 4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.857 -2.631 2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.343 -1.590 3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.237 -3.390 2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.008 -1.682 1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.810 -1.644 3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.574 -1.474 4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.310 -2.986 4.281 1.00 0.00 H new ATOM 655 N ILE A 39 4.643 -6.316 3.024 1.00 0.00 N ATOM 656 CA ILE A 39 3.915 -7.567 3.138 1.00 0.00 C ATOM 657 C ILE A 39 4.690 -8.705 2.485 1.00 0.00 C ATOM 658 O ILE A 39 5.232 -8.555 1.390 1.00 0.00 O ATOM 659 CB ILE A 39 2.511 -7.472 2.533 1.00 0.00 C ATOM 660 CG1 ILE A 39 1.788 -6.241 3.076 1.00 0.00 C ATOM 661 CG2 ILE A 39 1.720 -8.732 2.845 1.00 0.00 C ATOM 662 CD1 ILE A 39 1.812 -6.150 4.587 1.00 0.00 C ATOM 0 H ILE A 39 4.551 -5.851 2.121 1.00 0.00 H new ATOM 0 HA ILE A 39 3.805 -7.776 4.202 1.00 0.00 H new ATOM 0 HB ILE A 39 2.598 -7.376 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.247 -5.345 2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.752 -6.257 2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.724 -8.653 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.232 -9.597 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.636 -8.851 3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.281 -5.253 4.906 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.327 -7.029 5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.845 -6.102 4.932 1.00 0.00 H new ATOM 674 N LYS A 40 4.774 -9.826 3.189 1.00 0.00 N ATOM 675 CA LYS A 40 5.526 -10.978 2.713 1.00 0.00 C ATOM 676 C LYS A 40 4.966 -11.519 1.406 1.00 0.00 C ATOM 677 O LYS A 40 3.765 -11.439 1.149 1.00 0.00 O ATOM 678 CB LYS A 40 5.516 -12.076 3.774 1.00 0.00 C ATOM 679 CG LYS A 40 6.021 -11.608 5.125 1.00 0.00 C ATOM 680 CD LYS A 40 7.528 -11.775 5.241 1.00 0.00 C ATOM 681 CE LYS A 40 7.890 -12.945 6.141 1.00 0.00 C ATOM 682 NZ LYS A 40 8.305 -14.141 5.358 1.00 0.00 N ATOM 0 H LYS A 40 4.328 -9.962 4.096 1.00 0.00 H new ATOM 0 HA LYS A 40 6.549 -10.653 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.500 -12.455 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.131 -12.908 3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.757 -10.561 5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.529 -12.174 5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.955 -11.930 4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.967 -10.860 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.698 -12.651 6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.035 -13.200 6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.396 -14.958 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.589 -14.346 4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.220 -13.956 4.900 1.00 0.00 H new ATOM 696 N THR A 41 5.846 -12.088 0.587 1.00 0.00 N ATOM 697 CA THR A 41 5.433 -12.677 -0.677 1.00 0.00 C ATOM 698 C THR A 41 4.501 -13.863 -0.434 1.00 0.00 C ATOM 699 O THR A 41 3.748 -14.264 -1.320 1.00 0.00 O ATOM 700 CB THR A 41 6.653 -13.106 -1.492 1.00 0.00 C ATOM 701 OG1 THR A 41 7.430 -14.051 -0.776 1.00 0.00 O ATOM 702 CG2 THR A 41 7.556 -11.948 -1.861 1.00 0.00 C ATOM 0 H THR A 41 6.846 -12.152 0.778 1.00 0.00 H new ATOM 0 HA THR A 41 4.888 -11.925 -1.248 1.00 0.00 H new ATOM 0 HB THR A 41 6.254 -13.542 -2.408 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.365 -13.759 -0.757 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.404 -12.317 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.997 -11.227 -2.457 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.918 -11.465 -0.953 1.00 0.00 H new ATOM 710 N THR A 42 4.534 -14.407 0.782 1.00 0.00 N ATOM 711 CA THR A 42 3.630 -15.487 1.153 1.00 0.00 C ATOM 712 C THR A 42 2.233 -14.917 1.375 1.00 0.00 C ATOM 713 O THR A 42 1.226 -15.572 1.108 1.00 0.00 O ATOM 714 CB THR A 42 4.123 -16.188 2.421 1.00 0.00 C ATOM 715 OG1 THR A 42 4.686 -15.253 3.324 1.00 0.00 O ATOM 716 CG2 THR A 42 5.165 -17.252 2.151 1.00 0.00 C ATOM 0 H THR A 42 5.174 -14.117 1.521 1.00 0.00 H new ATOM 0 HA THR A 42 3.600 -16.222 0.349 1.00 0.00 H new ATOM 0 HB THR A 42 3.242 -16.667 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.994 -15.720 4.129 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.471 -17.709 3.092 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.744 -18.016 1.497 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.031 -16.799 1.669 1.00 0.00 H new ATOM 724 N ASP A 43 2.195 -13.666 1.827 1.00 0.00 N ATOM 725 CA ASP A 43 0.946 -12.952 2.047 1.00 0.00 C ATOM 726 C ASP A 43 0.295 -12.589 0.717 1.00 0.00 C ATOM 727 O ASP A 43 0.960 -12.542 -0.318 1.00 0.00 O ATOM 728 CB ASP A 43 1.189 -11.687 2.874 1.00 0.00 C ATOM 729 CG ASP A 43 1.349 -11.984 4.352 1.00 0.00 C ATOM 730 OD1 ASP A 43 1.197 -13.162 4.740 1.00 0.00 O ATOM 731 OD2 ASP A 43 1.625 -11.040 5.122 1.00 0.00 O ATOM 0 H ASP A 43 3.029 -13.122 2.050 1.00 0.00 H new ATOM 0 HA ASP A 43 0.272 -13.607 2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.084 -11.184 2.508 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.356 -10.998 2.733 1.00 0.00 H new ATOM 736 N PRO A 44 -1.036 -12.415 0.715 1.00 0.00 N ATOM 737 CA PRO A 44 -1.799 -12.070 -0.492 1.00 0.00 C ATOM 738 C PRO A 44 -1.186 -10.916 -1.275 1.00 0.00 C ATOM 739 O PRO A 44 -1.450 -10.762 -2.467 1.00 0.00 O ATOM 740 CB PRO A 44 -3.183 -11.680 0.043 1.00 0.00 C ATOM 741 CG PRO A 44 -3.015 -11.528 1.518 1.00 0.00 C ATOM 742 CD PRO A 44 -1.894 -12.448 1.903 1.00 0.00 C ATOM 0 HA PRO A 44 -1.820 -12.902 -1.195 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.531 -10.751 -0.410 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.923 -12.445 -0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.780 -10.496 1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.933 -11.790 2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.370 -12.099 2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.251 -13.455 2.118 1.00 0.00 H new ATOM 750 N VAL A 45 -0.322 -10.143 -0.627 1.00 0.00 N ATOM 751 CA VAL A 45 0.309 -9.010 -1.286 1.00 0.00 C ATOM 752 C VAL A 45 0.933 -9.436 -2.614 1.00 0.00 C ATOM 753 O VAL A 45 0.772 -8.763 -3.632 1.00 0.00 O ATOM 754 CB VAL A 45 1.399 -8.368 -0.397 1.00 0.00 C ATOM 755 CG1 VAL A 45 2.608 -9.289 -0.269 1.00 0.00 C ATOM 756 CG2 VAL A 45 1.810 -7.013 -0.954 1.00 0.00 C ATOM 0 H VAL A 45 -0.045 -10.280 0.345 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.472 -8.272 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 45 0.983 -8.219 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.361 -8.815 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.300 -10.233 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.028 -9.478 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.578 -6.575 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.204 -7.139 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.943 -6.353 -0.983 1.00 0.00 H new ATOM 766 N ALA A 46 1.637 -10.562 -2.590 1.00 0.00 N ATOM 767 CA ALA A 46 2.264 -11.093 -3.792 1.00 0.00 C ATOM 768 C ALA A 46 1.210 -11.635 -4.746 1.00 0.00 C ATOM 769 O ALA A 46 1.198 -11.296 -5.929 1.00 0.00 O ATOM 770 CB ALA A 46 3.262 -12.180 -3.430 1.00 0.00 C ATOM 0 H ALA A 46 1.787 -11.123 -1.752 1.00 0.00 H new ATOM 0 HA ALA A 46 2.798 -10.284 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.723 -12.568 -4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.033 -11.765 -2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.747 -12.988 -2.911 1.00 0.00 H new ATOM 776 N LYS A 47 0.307 -12.460 -4.218 1.00 0.00 N ATOM 777 CA LYS A 47 -0.778 -13.012 -5.021 1.00 0.00 C ATOM 778 C LYS A 47 -1.502 -11.888 -5.748 1.00 0.00 C ATOM 779 O LYS A 47 -1.972 -12.055 -6.874 1.00 0.00 O ATOM 780 CB LYS A 47 -1.760 -13.785 -4.138 1.00 0.00 C ATOM 781 CG LYS A 47 -1.126 -14.951 -3.397 1.00 0.00 C ATOM 782 CD LYS A 47 -0.798 -16.099 -4.338 1.00 0.00 C ATOM 783 CE LYS A 47 -1.979 -17.044 -4.498 1.00 0.00 C ATOM 784 NZ LYS A 47 -1.884 -17.844 -5.751 1.00 0.00 N ATOM 0 H LYS A 47 0.306 -12.758 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.357 -13.701 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.199 -13.100 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.575 -14.159 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.216 -14.616 -2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.804 -15.300 -2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.514 -15.702 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.061 -16.650 -3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.025 -17.716 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.905 -16.470 -4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.707 -18.475 -5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.866 -17.204 -6.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.013 -18.412 -5.735 1.00 0.00 H new ATOM 798 N ALA A 48 -1.557 -10.732 -5.098 1.00 0.00 N ATOM 799 CA ALA A 48 -2.160 -9.553 -5.686 1.00 0.00 C ATOM 800 C ALA A 48 -1.175 -8.884 -6.633 1.00 0.00 C ATOM 801 O ALA A 48 0.032 -8.898 -6.395 1.00 0.00 O ATOM 802 CB ALA A 48 -2.606 -8.584 -4.603 1.00 0.00 C ATOM 0 H ALA A 48 -1.187 -10.591 -4.158 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.041 -9.854 -6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.056 -7.705 -5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.338 -9.071 -3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.744 -8.281 -4.009 1.00 0.00 H new ATOM 808 N ILE A 49 -1.691 -8.354 -7.733 1.00 0.00 N ATOM 809 CA ILE A 49 -0.858 -7.707 -8.745 1.00 0.00 C ATOM 810 C ILE A 49 0.383 -8.542 -9.066 1.00 0.00 C ATOM 811 O ILE A 49 1.407 -8.007 -9.485 1.00 0.00 O ATOM 812 CB ILE A 49 -0.418 -6.294 -8.308 1.00 0.00 C ATOM 813 CG1 ILE A 49 0.479 -6.366 -7.071 1.00 0.00 C ATOM 814 CG2 ILE A 49 -1.635 -5.423 -8.035 1.00 0.00 C ATOM 815 CD1 ILE A 49 1.109 -5.041 -6.700 1.00 0.00 C ATOM 0 H ILE A 49 -2.687 -8.358 -7.951 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.474 -7.622 -9.640 1.00 0.00 H new ATOM 0 HB ILE A 49 0.156 -5.845 -9.119 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.109 -6.728 -6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.268 -7.097 -7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.310 -4.429 -7.728 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.236 -5.344 -8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.232 -5.871 -7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.731 -5.169 -5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.724 -4.686 -7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.326 -4.312 -6.491 1.00 0.00 H new ATOM 827 N GLY A 50 0.282 -9.858 -8.864 1.00 0.00 N ATOM 828 CA GLY A 50 1.391 -10.757 -9.152 1.00 0.00 C ATOM 829 C GLY A 50 2.746 -10.190 -8.760 1.00 0.00 C ATOM 830 O GLY A 50 3.731 -10.375 -9.475 1.00 0.00 O ATOM 0 H GLY A 50 -0.554 -10.318 -8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.233 -11.698 -8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.396 -10.986 -10.218 1.00 0.00 H new ATOM 834 N ALA A 51 2.794 -9.491 -7.631 1.00 0.00 N ATOM 835 CA ALA A 51 4.042 -8.893 -7.164 1.00 0.00 C ATOM 836 C ALA A 51 5.080 -9.957 -6.852 1.00 0.00 C ATOM 837 O ALA A 51 4.745 -11.097 -6.533 1.00 0.00 O ATOM 838 CB ALA A 51 3.807 -8.023 -5.937 1.00 0.00 C ATOM 0 H ALA A 51 1.990 -9.325 -7.025 1.00 0.00 H new ATOM 0 HA ALA A 51 4.421 -8.265 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.753 -7.591 -5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.109 -7.223 -6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.390 -8.631 -5.134 1.00 0.00 H new ATOM 844 N LYS A 52 6.343 -9.568 -6.939 1.00 0.00 N ATOM 845 CA LYS A 52 7.440 -10.476 -6.652 1.00 0.00 C ATOM 846 C LYS A 52 8.330 -9.915 -5.550 1.00 0.00 C ATOM 847 O LYS A 52 8.271 -8.727 -5.234 1.00 0.00 O ATOM 848 CB LYS A 52 8.254 -10.754 -7.919 1.00 0.00 C ATOM 849 CG LYS A 52 9.225 -9.647 -8.296 1.00 0.00 C ATOM 850 CD LYS A 52 10.223 -10.120 -9.340 1.00 0.00 C ATOM 851 CE LYS A 52 10.260 -9.187 -10.540 1.00 0.00 C ATOM 852 NZ LYS A 52 11.624 -8.636 -10.772 1.00 0.00 N ATOM 0 H LYS A 52 6.633 -8.627 -7.207 1.00 0.00 H new ATOM 0 HA LYS A 52 7.021 -11.419 -6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.813 -11.680 -7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.567 -10.917 -8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.672 -8.790 -8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.758 -9.309 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.216 -10.180 -8.894 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.959 -11.125 -9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.930 -9.725 -11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.559 -8.367 -10.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.608 -8.005 -11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.930 -8.101 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.289 -9.417 -10.946 1.00 0.00 H new ATOM 866 N ARG A 53 9.127 -10.784 -4.949 1.00 0.00 N ATOM 867 CA ARG A 53 10.018 -10.379 -3.870 1.00 0.00 C ATOM 868 C ARG A 53 10.916 -9.225 -4.303 1.00 0.00 C ATOM 869 O ARG A 53 11.919 -9.428 -4.987 1.00 0.00 O ATOM 870 CB ARG A 53 10.869 -11.561 -3.414 1.00 0.00 C ATOM 871 CG ARG A 53 11.254 -11.494 -1.946 1.00 0.00 C ATOM 872 CD ARG A 53 12.226 -10.354 -1.680 1.00 0.00 C ATOM 873 NE ARG A 53 13.414 -10.802 -0.961 1.00 0.00 N ATOM 874 CZ ARG A 53 14.457 -11.380 -1.549 1.00 0.00 C ATOM 875 NH1 ARG A 53 14.455 -11.580 -2.861 1.00 0.00 N ATOM 876 NH2 ARG A 53 15.502 -11.759 -0.827 1.00 0.00 N ATOM 0 H ARG A 53 9.176 -11.774 -5.189 1.00 0.00 H new ATOM 0 HA ARG A 53 9.404 -10.039 -3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.322 -12.486 -3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.775 -11.602 -4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.359 -11.360 -1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.706 -12.438 -1.643 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.524 -9.904 -2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.724 -9.578 -1.102 1.00 0.00 H new ATOM 0 HE ARG A 53 13.446 -10.664 0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.652 -11.290 -3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.256 -12.024 -3.310 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.507 -11.607 0.182 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.301 -12.202 -1.280 1.00 0.00 H new ATOM 890 N GLY A 54 10.550 -8.014 -3.894 1.00 0.00 N ATOM 891 CA GLY A 54 11.336 -6.844 -4.238 1.00 0.00 C ATOM 892 C GLY A 54 10.565 -5.844 -5.078 1.00 0.00 C ATOM 893 O GLY A 54 11.158 -4.975 -5.717 1.00 0.00 O ATOM 0 H GLY A 54 9.722 -7.823 -3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.675 -6.358 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.227 -7.158 -4.782 1.00 0.00 H new ATOM 897 N ASP A 55 9.239 -5.957 -5.073 1.00 0.00 N ATOM 898 CA ASP A 55 8.394 -5.058 -5.845 1.00 0.00 C ATOM 899 C ASP A 55 7.505 -4.222 -4.929 1.00 0.00 C ATOM 900 O ASP A 55 6.806 -4.758 -4.071 1.00 0.00 O ATOM 901 CB ASP A 55 7.525 -5.863 -6.814 1.00 0.00 C ATOM 902 CG ASP A 55 7.943 -5.676 -8.259 1.00 0.00 C ATOM 903 OD1 ASP A 55 7.619 -4.617 -8.839 1.00 0.00 O ATOM 904 OD2 ASP A 55 8.595 -6.586 -8.811 1.00 0.00 O ATOM 0 H ASP A 55 8.729 -6.663 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 55 9.039 -4.384 -6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.583 -6.921 -6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.484 -5.563 -6.698 1.00 0.00 H new ATOM 909 N ILE A 56 7.521 -2.906 -5.130 1.00 0.00 N ATOM 910 CA ILE A 56 6.697 -2.006 -4.332 1.00 0.00 C ATOM 911 C ILE A 56 5.402 -1.682 -5.068 1.00 0.00 C ATOM 912 O ILE A 56 5.391 -1.527 -6.289 1.00 0.00 O ATOM 913 CB ILE A 56 7.440 -0.695 -3.994 1.00 0.00 C ATOM 914 CG1 ILE A 56 8.684 -0.999 -3.156 1.00 0.00 C ATOM 915 CG2 ILE A 56 6.532 0.282 -3.250 1.00 0.00 C ATOM 916 CD1 ILE A 56 9.983 -0.818 -3.910 1.00 0.00 C ATOM 0 H ILE A 56 8.093 -2.442 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 56 6.470 -2.518 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 56 7.742 -0.227 -4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.689 -0.350 -2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.625 -2.025 -2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.085 1.194 -3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.670 0.523 -3.872 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.192 -0.173 -2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.821 -1.051 -3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.000 -1.486 -4.771 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.065 0.214 -4.250 1.00 0.00 H new ATOM 928 N VAL A 57 4.313 -1.587 -4.317 1.00 0.00 N ATOM 929 CA VAL A 57 3.011 -1.302 -4.898 1.00 0.00 C ATOM 930 C VAL A 57 2.555 0.116 -4.574 1.00 0.00 C ATOM 931 O VAL A 57 2.763 0.609 -3.466 1.00 0.00 O ATOM 932 CB VAL A 57 1.949 -2.294 -4.402 1.00 0.00 C ATOM 933 CG1 VAL A 57 1.737 -2.143 -2.905 1.00 0.00 C ATOM 934 CG2 VAL A 57 0.646 -2.101 -5.162 1.00 0.00 C ATOM 0 H VAL A 57 4.307 -1.703 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 57 3.121 -1.404 -5.978 1.00 0.00 H new ATOM 0 HB VAL A 57 2.303 -3.307 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.981 -2.854 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.674 -2.338 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.404 -1.129 -2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.096 -2.812 -4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.282 -1.085 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.817 -2.267 -6.226 1.00 0.00 H new ATOM 944 N LYS A 58 1.929 0.764 -5.550 1.00 0.00 N ATOM 945 CA LYS A 58 1.436 2.122 -5.371 1.00 0.00 C ATOM 946 C LYS A 58 -0.090 2.115 -5.227 1.00 0.00 C ATOM 947 O LYS A 58 -0.812 1.731 -6.147 1.00 0.00 O ATOM 948 CB LYS A 58 1.920 3.001 -6.549 1.00 0.00 C ATOM 949 CG LYS A 58 0.863 3.853 -7.241 1.00 0.00 C ATOM 950 CD LYS A 58 0.410 5.013 -6.375 1.00 0.00 C ATOM 951 CE LYS A 58 1.269 6.249 -6.584 1.00 0.00 C ATOM 952 NZ LYS A 58 0.553 7.298 -7.362 1.00 0.00 N ATOM 0 H LYS A 58 1.751 0.369 -6.474 1.00 0.00 H new ATOM 0 HA LYS A 58 1.836 2.551 -4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.704 3.663 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.376 2.350 -7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.264 4.236 -8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.004 3.231 -7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.629 5.251 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.447 4.719 -5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.565 6.653 -5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.184 5.971 -7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.245 7.949 -7.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.007 6.850 -8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.079 7.829 -6.729 1.00 0.00 H new ATOM 966 N ILE A 59 -0.566 2.513 -4.052 1.00 0.00 N ATOM 967 CA ILE A 59 -1.997 2.558 -3.775 1.00 0.00 C ATOM 968 C ILE A 59 -2.450 3.983 -3.486 1.00 0.00 C ATOM 969 O ILE A 59 -1.912 4.637 -2.596 1.00 0.00 O ATOM 970 CB ILE A 59 -2.368 1.667 -2.577 1.00 0.00 C ATOM 971 CG1 ILE A 59 -1.723 0.287 -2.719 1.00 0.00 C ATOM 972 CG2 ILE A 59 -3.879 1.540 -2.457 1.00 0.00 C ATOM 973 CD1 ILE A 59 -0.450 0.130 -1.916 1.00 0.00 C ATOM 0 H ILE A 59 0.021 2.810 -3.273 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.503 2.186 -4.665 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.989 2.133 -1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.438 -0.473 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.505 0.103 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.124 0.906 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.317 2.528 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.280 1.095 -3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.048 -0.872 -2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.282 0.867 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.666 0.282 -0.858 1.00 0.00 H new ATOM 985 N ILE A 60 -3.447 4.455 -4.226 1.00 0.00 N ATOM 986 CA ILE A 60 -3.965 5.806 -4.029 1.00 0.00 C ATOM 987 C ILE A 60 -5.384 5.776 -3.474 1.00 0.00 C ATOM 988 O ILE A 60 -6.230 5.013 -3.942 1.00 0.00 O ATOM 989 CB ILE A 60 -3.959 6.614 -5.340 1.00 0.00 C ATOM 990 CG1 ILE A 60 -2.644 6.389 -6.083 1.00 0.00 C ATOM 991 CG2 ILE A 60 -4.172 8.094 -5.058 1.00 0.00 C ATOM 992 CD1 ILE A 60 -2.824 5.783 -7.458 1.00 0.00 C ATOM 0 H ILE A 60 -3.911 3.926 -4.964 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.304 6.291 -3.311 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.780 6.270 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.123 7.341 -6.180 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.006 5.736 -5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.165 8.648 -5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.132 8.235 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.372 8.460 -4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.849 5.651 -7.928 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.317 4.815 -7.367 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.435 6.446 -8.070 1.00 0.00 H new ATOM 1149 N VAL A 70 -1.739 8.398 -0.794 1.00 0.00 N ATOM 1150 CA VAL A 70 -0.938 7.338 -1.391 1.00 0.00 C ATOM 1151 C VAL A 70 -0.078 6.622 -0.351 1.00 0.00 C ATOM 1152 O VAL A 70 0.511 7.250 0.529 1.00 0.00 O ATOM 1153 CB VAL A 70 -0.040 7.881 -2.520 1.00 0.00 C ATOM 1154 CG1 VAL A 70 0.821 6.773 -3.113 1.00 0.00 C ATOM 1155 CG2 VAL A 70 -0.892 8.533 -3.598 1.00 0.00 C ATOM 0 HA VAL A 70 -1.639 6.618 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 70 0.627 8.633 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.445 7.183 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.456 6.350 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.179 5.993 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.248 8.913 -4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.581 7.797 -4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.459 9.357 -3.165 1.00 0.00 H new ATOM 1165 N THR A 71 -0.011 5.299 -0.472 1.00 0.00 N ATOM 1166 CA THR A 71 0.778 4.475 0.436 1.00 0.00 C ATOM 1167 C THR A 71 1.493 3.369 -0.334 1.00 0.00 C ATOM 1168 O THR A 71 0.864 2.616 -1.078 1.00 0.00 O ATOM 1169 CB THR A 71 -0.124 3.860 1.509 1.00 0.00 C ATOM 1170 OG1 THR A 71 0.650 3.188 2.489 1.00 0.00 O ATOM 1171 CG2 THR A 71 -1.126 2.869 0.954 1.00 0.00 C ATOM 0 H THR A 71 -0.498 4.772 -1.197 1.00 0.00 H new ATOM 0 HA THR A 71 1.524 5.108 0.917 1.00 0.00 H new ATOM 0 HB THR A 71 -0.670 4.698 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.056 2.803 3.167 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.733 2.471 1.767 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.771 3.369 0.231 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.596 2.052 0.463 1.00 0.00 H new ATOM 1179 N TYR A 72 2.809 3.277 -0.163 1.00 0.00 N ATOM 1180 CA TYR A 72 3.595 2.270 -0.870 1.00 0.00 C ATOM 1181 C TYR A 72 3.905 1.073 0.018 1.00 0.00 C ATOM 1182 O TYR A 72 4.204 1.217 1.204 1.00 0.00 O ATOM 1183 CB TYR A 72 4.892 2.874 -1.410 1.00 0.00 C ATOM 1184 CG TYR A 72 4.707 3.647 -2.698 1.00 0.00 C ATOM 1185 CD1 TYR A 72 3.481 4.219 -3.023 1.00 0.00 C ATOM 1186 CD2 TYR A 72 5.753 3.790 -3.597 1.00 0.00 C ATOM 1187 CE1 TYR A 72 3.308 4.918 -4.201 1.00 0.00 C ATOM 1188 CE2 TYR A 72 5.591 4.490 -4.774 1.00 0.00 C ATOM 1189 CZ TYR A 72 4.365 5.046 -5.076 1.00 0.00 C ATOM 1190 OH TYR A 72 4.196 5.739 -6.253 1.00 0.00 O ATOM 0 H TYR A 72 3.350 3.882 0.454 1.00 0.00 H new ATOM 0 HA TYR A 72 2.993 1.920 -1.708 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.317 3.536 -0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.614 2.075 -1.576 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.650 4.114 -2.342 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.711 3.345 -3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.351 5.361 -4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.420 4.603 -5.457 1.00 0.00 H new ATOM 0 HH TYR A 72 4.915 5.505 -6.877 1.00 0.00 H new ATOM 1200 N ARG A 73 3.820 -0.111 -0.575 1.00 0.00 N ATOM 1201 CA ARG A 73 4.113 -1.350 0.131 1.00 0.00 C ATOM 1202 C ARG A 73 5.140 -2.158 -0.647 1.00 0.00 C ATOM 1203 O ARG A 73 4.983 -2.383 -1.844 1.00 0.00 O ATOM 1204 CB ARG A 73 2.838 -2.171 0.328 1.00 0.00 C ATOM 1205 CG ARG A 73 2.935 -3.188 1.452 1.00 0.00 C ATOM 1206 CD ARG A 73 2.147 -2.744 2.674 1.00 0.00 C ATOM 1207 NE ARG A 73 0.832 -3.376 2.738 1.00 0.00 N ATOM 1208 CZ ARG A 73 -0.191 -2.882 3.429 1.00 0.00 C ATOM 1209 NH1 ARG A 73 -0.050 -1.756 4.115 1.00 0.00 N ATOM 1210 NH2 ARG A 73 -1.356 -3.516 3.436 1.00 0.00 N ATOM 0 H ARG A 73 3.549 -0.239 -1.550 1.00 0.00 H new ATOM 0 HA ARG A 73 4.520 -1.105 1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.008 -1.494 0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.604 -2.691 -0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.560 -4.151 1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.980 -3.332 1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.710 -2.986 3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.028 -1.661 2.654 1.00 0.00 H new ATOM 0 HE ARG A 73 0.690 -4.245 2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.845 -1.267 4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.836 -1.379 4.644 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.468 -4.383 2.911 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.140 -3.136 3.966 1.00 0.00 H new ATOM 1224 N LEU A 74 6.187 -2.591 0.041 1.00 0.00 N ATOM 1225 CA LEU A 74 7.268 -3.336 -0.591 1.00 0.00 C ATOM 1226 C LEU A 74 7.112 -4.836 -0.375 1.00 0.00 C ATOM 1227 O LEU A 74 7.009 -5.298 0.761 1.00 0.00 O ATOM 1228 CB LEU A 74 8.607 -2.879 -0.003 1.00 0.00 C ATOM 1229 CG LEU A 74 9.863 -3.161 -0.842 1.00 0.00 C ATOM 1230 CD1 LEU A 74 11.079 -3.281 0.065 1.00 0.00 C ATOM 1231 CD2 LEU A 74 9.705 -4.421 -1.681 1.00 0.00 C ATOM 0 H LEU A 74 6.311 -2.438 1.042 1.00 0.00 H new ATOM 0 HA LEU A 74 7.235 -3.140 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.551 -1.805 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.733 -3.357 0.968 1.00 0.00 H new ATOM 0 HG LEU A 74 10.004 -2.324 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.965 -3.481 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.217 -2.350 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.928 -4.099 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.613 -4.588 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.530 -5.275 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.859 -4.304 -2.358 1.00 0.00 H new ATOM 1243 N VAL A 75 7.135 -5.600 -1.463 1.00 0.00 N ATOM 1244 CA VAL A 75 7.065 -7.050 -1.359 1.00 0.00 C ATOM 1245 C VAL A 75 8.421 -7.595 -0.927 1.00 0.00 C ATOM 1246 O VAL A 75 9.415 -7.454 -1.638 1.00 0.00 O ATOM 1247 CB VAL A 75 6.637 -7.704 -2.691 1.00 0.00 C ATOM 1248 CG1 VAL A 75 6.681 -9.223 -2.597 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.248 -7.235 -3.082 1.00 0.00 C ATOM 0 H VAL A 75 7.201 -5.242 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 75 6.308 -7.296 -0.614 1.00 0.00 H new ATOM 0 HB VAL A 75 7.343 -7.397 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.375 -9.656 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.696 -9.544 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.004 -9.559 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.957 -7.703 -4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.538 -7.513 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.250 -6.152 -3.201 1.00 0.00 H new ATOM 1259 N GLN A 76 8.457 -8.198 0.254 1.00 0.00 N ATOM 1260 CA GLN A 76 9.699 -8.727 0.802 1.00 0.00 C ATOM 1261 C GLN A 76 9.540 -10.188 1.203 1.00 0.00 C ATOM 1262 O GLN A 76 8.442 -10.637 1.526 1.00 0.00 O ATOM 1263 CB GLN A 76 10.134 -7.894 2.013 1.00 0.00 C ATOM 1264 CG GLN A 76 11.602 -8.057 2.372 1.00 0.00 C ATOM 1265 CD GLN A 76 11.858 -7.915 3.859 1.00 0.00 C ATOM 1266 OE1 GLN A 76 11.533 -6.891 4.461 1.00 0.00 O ATOM 1267 NE2 GLN A 76 12.443 -8.945 4.461 1.00 0.00 N ATOM 0 H GLN A 76 7.641 -8.333 0.851 1.00 0.00 H new ATOM 0 HA GLN A 76 10.466 -8.667 0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.934 -6.842 1.810 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.526 -8.174 2.873 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.947 -9.036 2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.189 -7.313 1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.695 -9.774 3.923 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.640 -8.907 5.461 1.00 0.00 H new ATOM 1276 N ASP A 77 10.641 -10.930 1.180 1.00 0.00 N ATOM 1277 CA ASP A 77 10.614 -12.341 1.544 1.00 0.00 C ATOM 1278 C ASP A 77 10.777 -12.517 3.050 1.00 0.00 C ATOM 1279 O ASP A 77 11.593 -11.783 3.646 1.00 0.00 O ATOM 1280 CB ASP A 77 11.720 -13.102 0.810 1.00 0.00 C ATOM 1281 CG ASP A 77 11.175 -14.199 -0.082 1.00 0.00 C ATOM 1282 OD1 ASP A 77 10.002 -14.588 0.104 1.00 0.00 O ATOM 1283 OD2 ASP A 77 11.921 -14.671 -0.966 1.00 0.00 O ATOM 1284 OXT ASP A 77 10.086 -13.387 3.621 1.00 0.00 O ATOM 0 H ASP A 77 11.561 -10.579 0.914 1.00 0.00 H new ATOM 0 HA ASP A 77 9.646 -12.747 1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.300 -12.403 0.208 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.403 -13.537 1.539 1.00 0.00 H new