USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 CYS SG : rot 180:sc= -0.114 USER MOD Set 1.2: A 70 THR OG1 : rot -106:sc= -2.54 USER MOD Set 1.3: A 106 MET CE :methyl -146:sc= -0.137 (180deg=-0.369) USER MOD Set 2.1: A 61 THR OG1 : rot 85:sc= 2.02 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -8.13! C(o=-6.1!,f=-23!) USER MOD Set 3.1: A 57 THR OG1 : rot 160:sc= 1.07 USER MOD Set 3.2: A 60 SER OG : rot 55:sc= 1.35 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -1.39 F(o=-4.2!,f=-1.4) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.29) USER MOD Single : A 35 ASN : amide:sc= -0.199 K(o=-0.2,f=-0.89) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -147:sc= 0.389 (180deg=-0.679) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.045) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.424 K(o=-0.42,f=-1.3) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 87:sc= 0.0736 USER MOD Single : A 93 HIS : no HE2:sc= -2.98! C(o=-3!,f=-9.5!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N GLU A 18 5.694 18.376 -0.508 1.00 0.00 N ATOM 228 CA GLU A 18 6.766 17.466 -0.125 1.00 0.00 C ATOM 229 C GLU A 18 6.285 16.018 -0.147 1.00 0.00 C ATOM 230 O GLU A 18 6.964 15.134 -0.672 1.00 0.00 O ATOM 231 CB GLU A 18 7.292 17.818 1.268 1.00 0.00 C ATOM 232 CG GLU A 18 8.611 17.146 1.609 1.00 0.00 C ATOM 233 CD GLU A 18 9.702 17.455 0.602 1.00 0.00 C ATOM 234 OE1 GLU A 18 10.266 18.568 0.660 1.00 0.00 O ATOM 235 OE2 GLU A 18 9.991 16.584 -0.245 1.00 0.00 O ATOM 0 HA GLU A 18 7.574 17.574 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.416 18.899 1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.547 17.534 2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.934 17.469 2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.463 16.067 1.658 1.00 0.00 H new ATOM 242 N LEU A 19 5.110 15.782 0.427 1.00 0.00 N ATOM 243 CA LEU A 19 4.537 14.442 0.474 1.00 0.00 C ATOM 244 C LEU A 19 4.022 14.021 -0.899 1.00 0.00 C ATOM 245 O LEU A 19 4.312 12.922 -1.372 1.00 0.00 O ATOM 246 CB LEU A 19 3.400 14.388 1.496 1.00 0.00 C ATOM 247 CG LEU A 19 3.805 14.068 2.935 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.503 12.718 3.005 1.00 0.00 C ATOM 249 CD2 LEU A 19 4.702 15.163 3.493 1.00 0.00 C ATOM 0 H LEU A 19 4.536 16.502 0.866 1.00 0.00 H new ATOM 0 HA LEU A 19 5.322 13.748 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.887 15.350 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.679 13.640 1.168 1.00 0.00 H new ATOM 0 HG LEU A 19 2.902 14.020 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.784 12.507 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.828 11.941 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.397 12.738 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.980 14.918 4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.601 15.243 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.168 16.113 3.479 1.00 0.00 H new ATOM 261 N GLY A 20 3.259 14.904 -1.536 1.00 0.00 N ATOM 262 CA GLY A 20 2.718 14.606 -2.849 1.00 0.00 C ATOM 263 C GLY A 20 3.798 14.273 -3.859 1.00 0.00 C ATOM 264 O GLY A 20 3.532 13.633 -4.876 1.00 0.00 O ATOM 0 H GLY A 20 3.006 15.820 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.026 13.767 -2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.144 15.461 -3.205 1.00 0.00 H new ATOM 268 N LYS A 21 5.022 14.709 -3.579 1.00 0.00 N ATOM 269 CA LYS A 21 6.148 14.454 -4.471 1.00 0.00 C ATOM 270 C LYS A 21 6.788 13.104 -4.166 1.00 0.00 C ATOM 271 O LYS A 21 7.806 12.742 -4.757 1.00 0.00 O ATOM 272 CB LYS A 21 7.190 15.567 -4.340 1.00 0.00 C ATOM 273 CG LYS A 21 6.703 16.918 -4.834 1.00 0.00 C ATOM 274 CD LYS A 21 6.964 17.095 -6.320 1.00 0.00 C ATOM 275 CE LYS A 21 8.347 17.672 -6.579 1.00 0.00 C ATOM 276 NZ LYS A 21 8.352 19.159 -6.496 1.00 0.00 N ATOM 0 H LYS A 21 5.260 15.241 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 21 5.773 14.435 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.484 15.656 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.082 15.285 -4.899 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.635 17.015 -4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.203 17.711 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.870 16.133 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.208 17.754 -6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.052 17.265 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.691 17.362 -7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.312 19.514 -6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.699 19.548 -7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.048 19.455 -5.546 1.00 0.00 H new ATOM 290 N ILE A 22 6.186 12.364 -3.241 1.00 0.00 N ATOM 291 CA ILE A 22 6.697 11.053 -2.861 1.00 0.00 C ATOM 292 C ILE A 22 6.030 9.946 -3.670 1.00 0.00 C ATOM 293 O ILE A 22 6.697 9.187 -4.374 1.00 0.00 O ATOM 294 CB ILE A 22 6.482 10.778 -1.361 1.00 0.00 C ATOM 295 CG1 ILE A 22 7.026 11.938 -0.524 1.00 0.00 C ATOM 296 CG2 ILE A 22 7.148 9.470 -0.961 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.915 11.710 0.967 1.00 0.00 C ATOM 0 H ILE A 22 5.344 12.650 -2.741 1.00 0.00 H new ATOM 0 HA ILE A 22 7.766 11.059 -3.072 1.00 0.00 H new ATOM 0 HB ILE A 22 5.412 10.690 -1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.072 12.102 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.487 12.848 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.987 9.290 0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.717 8.651 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.218 9.530 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.319 12.572 1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.868 11.576 1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.478 10.818 1.242 1.00 0.00 H new ATOM 309 N LEU A 23 4.708 9.861 -3.567 1.00 0.00 N ATOM 310 CA LEU A 23 3.948 8.848 -4.292 1.00 0.00 C ATOM 311 C LEU A 23 3.212 9.464 -5.477 1.00 0.00 C ATOM 312 O LEU A 23 2.062 9.122 -5.751 1.00 0.00 O ATOM 313 CB LEU A 23 2.949 8.165 -3.355 1.00 0.00 C ATOM 314 CG LEU A 23 3.545 7.219 -2.312 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.445 6.444 -1.605 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.539 6.267 -2.962 1.00 0.00 C ATOM 0 H LEU A 23 4.140 10.481 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 23 4.649 8.104 -4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.383 8.938 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.238 7.604 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 23 4.076 7.815 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.888 5.776 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.772 7.141 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.886 5.859 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.953 5.601 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.032 5.677 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.345 6.840 -3.421 1.00 0.00 H new ATOM 328 N GLN A 24 3.884 10.371 -6.178 1.00 0.00 N ATOM 329 CA GLN A 24 3.294 11.032 -7.336 1.00 0.00 C ATOM 330 C GLN A 24 2.994 10.027 -8.443 1.00 0.00 C ATOM 331 O GLN A 24 3.905 9.456 -9.041 1.00 0.00 O ATOM 332 CB GLN A 24 4.232 12.121 -7.860 1.00 0.00 C ATOM 333 CG GLN A 24 3.688 12.859 -9.073 1.00 0.00 C ATOM 334 CD GLN A 24 2.217 13.199 -8.939 1.00 0.00 C ATOM 335 OE1 GLN A 24 1.358 12.314 -9.429 1.00 0.00 O flip ATOM 336 NE2 GLN A 24 1.857 14.246 -8.400 1.00 0.00 N flip ATOM 0 H GLN A 24 4.837 10.665 -5.965 1.00 0.00 H new ATOM 0 HA GLN A 24 2.356 11.490 -7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.422 12.840 -7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.190 11.670 -8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.257 13.777 -9.220 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.836 12.246 -9.962 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.552 14.898 -8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.863 14.461 -8.316 1.00 0.00 H new ATOM 345 N GLY A 25 1.708 9.815 -8.710 1.00 0.00 N ATOM 346 CA GLY A 25 1.311 8.878 -9.745 1.00 0.00 C ATOM 347 C GLY A 25 1.117 7.473 -9.211 1.00 0.00 C ATOM 348 O GLY A 25 1.302 6.495 -9.935 1.00 0.00 O ATOM 0 H GLY A 25 0.935 10.275 -8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.384 9.220 -10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.069 8.864 -10.529 1.00 0.00 H new ATOM 352 N VAL A 26 0.746 7.371 -7.939 1.00 0.00 N ATOM 353 CA VAL A 26 0.528 6.075 -7.308 1.00 0.00 C ATOM 354 C VAL A 26 -0.923 5.914 -6.868 1.00 0.00 C ATOM 355 O VAL A 26 -1.505 6.819 -6.270 1.00 0.00 O ATOM 356 CB VAL A 26 1.447 5.883 -6.086 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.266 4.494 -5.494 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.899 6.123 -6.471 1.00 0.00 C ATOM 0 H VAL A 26 0.590 8.170 -7.325 1.00 0.00 H new ATOM 0 HA VAL A 26 0.765 5.317 -8.055 1.00 0.00 H new ATOM 0 HB VAL A 26 1.170 6.613 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.923 4.377 -4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.230 4.364 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.515 3.743 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.535 5.983 -5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.191 5.417 -7.248 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.013 7.141 -6.844 1.00 0.00 H new ATOM 368 N VAL A 27 -1.502 4.756 -7.168 1.00 0.00 N ATOM 369 CA VAL A 27 -2.885 4.475 -6.803 1.00 0.00 C ATOM 370 C VAL A 27 -2.967 3.329 -5.802 1.00 0.00 C ATOM 371 O VAL A 27 -2.701 2.175 -6.139 1.00 0.00 O ATOM 372 CB VAL A 27 -3.733 4.124 -8.040 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.155 3.774 -7.631 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.723 5.274 -9.036 1.00 0.00 C ATOM 0 H VAL A 27 -1.034 3.997 -7.663 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.282 5.382 -6.346 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.295 3.251 -8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.739 3.529 -8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.140 2.916 -6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.607 4.626 -7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.327 5.009 -9.904 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.136 6.166 -8.566 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.699 5.472 -9.353 1.00 0.00 H new ATOM 384 N VAL A 28 -3.339 3.653 -4.567 1.00 0.00 N ATOM 385 CA VAL A 28 -3.458 2.650 -3.516 1.00 0.00 C ATOM 386 C VAL A 28 -4.920 2.355 -3.202 1.00 0.00 C ATOM 387 O VAL A 28 -5.788 3.210 -3.372 1.00 0.00 O ATOM 388 CB VAL A 28 -2.748 3.102 -2.226 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.240 3.127 -2.426 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.258 4.467 -1.788 1.00 0.00 C ATOM 0 H VAL A 28 -3.563 4.603 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.979 1.744 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.974 2.384 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.756 3.449 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.891 2.128 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.991 3.822 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.746 4.771 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.064 5.197 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.330 4.412 -1.601 1.00 0.00 H new ATOM 400 N VAL A 29 -5.186 1.137 -2.740 1.00 0.00 N ATOM 401 CA VAL A 29 -6.543 0.727 -2.400 1.00 0.00 C ATOM 402 C VAL A 29 -6.610 0.169 -0.983 1.00 0.00 C ATOM 403 O VAL A 29 -5.821 -0.699 -0.608 1.00 0.00 O ATOM 404 CB VAL A 29 -7.073 -0.333 -3.383 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.424 -0.861 -2.924 1.00 0.00 C ATOM 406 CG2 VAL A 29 -7.166 0.243 -4.788 1.00 0.00 C ATOM 0 H VAL A 29 -4.479 0.417 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.168 1.618 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.372 -1.167 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.782 -1.609 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.322 -1.314 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.138 -0.039 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.542 -0.520 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.845 1.096 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.178 0.566 -5.115 1.00 0.00 H new ATOM 416 N LEU A 30 -7.558 0.672 -0.199 1.00 0.00 N ATOM 417 CA LEU A 30 -7.729 0.223 1.178 1.00 0.00 C ATOM 418 C LEU A 30 -8.533 -1.072 1.233 1.00 0.00 C ATOM 419 O LEU A 30 -9.657 -1.137 0.735 1.00 0.00 O ATOM 420 CB LEU A 30 -8.426 1.305 2.005 1.00 0.00 C ATOM 421 CG LEU A 30 -7.637 2.598 2.219 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.455 3.594 3.027 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.314 2.307 2.911 1.00 0.00 C ATOM 0 H LEU A 30 -8.219 1.390 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.741 0.033 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.369 1.555 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.671 0.887 2.981 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.425 3.038 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.878 4.508 3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.376 3.826 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.697 3.163 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.766 3.238 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.504 1.844 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.722 1.630 2.295 1.00 0.00 H new ATOM 435 N SER A 31 -7.951 -2.099 1.843 1.00 0.00 N ATOM 436 CA SER A 31 -8.613 -3.393 1.962 1.00 0.00 C ATOM 437 C SER A 31 -8.365 -4.005 3.337 1.00 0.00 C ATOM 438 O SER A 31 -7.271 -4.489 3.626 1.00 0.00 O ATOM 439 CB SER A 31 -8.119 -4.344 0.871 1.00 0.00 C ATOM 440 OG SER A 31 -8.160 -3.724 -0.403 1.00 0.00 O ATOM 0 H SER A 31 -7.022 -2.060 2.263 1.00 0.00 H new ATOM 0 HA SER A 31 -9.685 -3.238 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.099 -4.659 1.093 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.735 -5.243 0.861 1.00 0.00 H new ATOM 0 HG SER A 31 -7.838 -4.352 -1.083 1.00 0.00 H new ATOM 446 N GLY A 32 -9.391 -3.981 4.183 1.00 0.00 N ATOM 447 CA GLY A 32 -9.265 -4.536 5.518 1.00 0.00 C ATOM 448 C GLY A 32 -9.006 -3.472 6.566 1.00 0.00 C ATOM 449 O GLY A 32 -8.214 -3.678 7.486 1.00 0.00 O ATOM 0 H GLY A 32 -10.307 -3.587 3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.177 -5.076 5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.451 -5.261 5.532 1.00 0.00 H new ATOM 453 N PHE A 33 -9.672 -2.331 6.427 1.00 0.00 N ATOM 454 CA PHE A 33 -9.508 -1.230 7.368 1.00 0.00 C ATOM 455 C PHE A 33 -10.860 -0.755 7.891 1.00 0.00 C ATOM 456 O PHE A 33 -11.867 -0.821 7.187 1.00 0.00 O ATOM 457 CB PHE A 33 -8.769 -0.067 6.702 1.00 0.00 C ATOM 458 CG PHE A 33 -7.383 -0.421 6.245 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.343 -0.516 7.155 1.00 0.00 C ATOM 460 CD2 PHE A 33 -7.120 -0.658 4.905 1.00 0.00 C ATOM 461 CE1 PHE A 33 -5.066 -0.841 6.738 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.845 -0.984 4.482 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.817 -1.075 5.400 1.00 0.00 C ATOM 0 H PHE A 33 -10.331 -2.145 5.671 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.919 -1.591 8.211 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.348 0.278 5.846 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.710 0.765 7.404 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.532 -0.334 8.203 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.920 -0.587 4.183 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.264 -0.912 7.458 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.653 -1.167 3.435 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.820 -1.329 5.072 1.00 0.00 H new ATOM 473 N GLN A 34 -10.874 -0.277 9.132 1.00 0.00 N ATOM 474 CA GLN A 34 -12.102 0.207 9.750 1.00 0.00 C ATOM 475 C GLN A 34 -11.856 1.513 10.499 1.00 0.00 C ATOM 476 O GLN A 34 -10.938 1.609 11.313 1.00 0.00 O ATOM 477 CB GLN A 34 -12.666 -0.845 10.706 1.00 0.00 C ATOM 478 CG GLN A 34 -11.882 -0.973 12.002 1.00 0.00 C ATOM 479 CD GLN A 34 -12.071 -2.321 12.668 1.00 0.00 C ATOM 480 OE1 GLN A 34 -11.950 -3.366 12.027 1.00 0.00 O ATOM 481 NE2 GLN A 34 -12.368 -2.306 13.962 1.00 0.00 N ATOM 0 H GLN A 34 -10.049 -0.215 9.728 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.828 0.394 8.959 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.700 -0.593 10.940 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.679 -1.812 10.202 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.823 -0.818 11.798 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.192 -0.186 12.689 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.459 -1.417 14.454 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.505 -3.183 14.464 1.00 0.00 H new ATOM 490 N ASN A 35 -12.682 2.515 10.218 1.00 0.00 N ATOM 491 CA ASN A 35 -12.553 3.816 10.866 1.00 0.00 C ATOM 492 C ASN A 35 -12.562 3.671 12.384 1.00 0.00 C ATOM 493 O ASN A 35 -13.111 2.719 12.939 1.00 0.00 O ATOM 494 CB ASN A 35 -13.688 4.743 10.424 1.00 0.00 C ATOM 495 CG ASN A 35 -14.895 4.655 11.338 1.00 0.00 C ATOM 496 OD1 ASN A 35 -14.920 5.256 12.412 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.903 3.902 10.914 1.00 0.00 N ATOM 0 H ASN A 35 -13.447 2.452 9.547 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.599 4.251 10.566 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.326 5.771 10.402 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.986 4.488 9.407 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.742 3.804 11.486 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.838 3.422 10.016 1.00 0.00 H new ATOM 504 N PRO A 36 -11.938 4.638 13.074 1.00 0.00 N ATOM 505 CA PRO A 36 -11.280 5.775 12.425 1.00 0.00 C ATOM 506 C PRO A 36 -10.019 5.363 11.673 1.00 0.00 C ATOM 507 O PRO A 36 -9.589 6.044 10.742 1.00 0.00 O ATOM 508 CB PRO A 36 -10.928 6.697 13.595 1.00 0.00 C ATOM 509 CG PRO A 36 -10.824 5.790 14.773 1.00 0.00 C ATOM 510 CD PRO A 36 -11.827 4.694 14.542 1.00 0.00 C ATOM 0 HA PRO A 36 -11.919 6.241 11.675 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.990 7.223 13.416 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.696 7.456 13.746 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.817 5.384 14.865 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.037 6.326 15.698 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.487 3.745 14.956 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.785 4.921 15.009 1.00 0.00 H new ATOM 518 N PHE A 37 -9.430 4.245 12.083 1.00 0.00 N ATOM 519 CA PHE A 37 -8.217 3.742 11.448 1.00 0.00 C ATOM 520 C PHE A 37 -8.298 3.887 9.931 1.00 0.00 C ATOM 521 O PHE A 37 -7.399 4.446 9.302 1.00 0.00 O ATOM 522 CB PHE A 37 -7.991 2.275 11.820 1.00 0.00 C ATOM 523 CG PHE A 37 -6.606 1.785 11.509 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.496 2.538 11.854 1.00 0.00 C ATOM 525 CD2 PHE A 37 -6.415 0.569 10.872 1.00 0.00 C ATOM 526 CE1 PHE A 37 -4.221 2.089 11.568 1.00 0.00 C ATOM 527 CE2 PHE A 37 -5.142 0.114 10.584 1.00 0.00 C ATOM 528 CZ PHE A 37 -4.043 0.875 10.933 1.00 0.00 C ATOM 0 H PHE A 37 -9.773 3.670 12.852 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.376 4.334 11.808 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.183 2.145 12.885 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.714 1.658 11.287 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.629 3.487 12.352 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.271 -0.030 10.597 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.364 2.687 11.841 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.007 -0.835 10.087 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.047 0.522 10.710 1.00 0.00 H new ATOM 538 N ARG A 38 -9.380 3.379 9.350 1.00 0.00 N ATOM 539 CA ARG A 38 -9.577 3.450 7.908 1.00 0.00 C ATOM 540 C ARG A 38 -9.364 4.872 7.399 1.00 0.00 C ATOM 541 O ARG A 38 -8.566 5.104 6.491 1.00 0.00 O ATOM 542 CB ARG A 38 -10.983 2.970 7.540 1.00 0.00 C ATOM 543 CG ARG A 38 -11.319 3.140 6.067 1.00 0.00 C ATOM 544 CD ARG A 38 -12.677 2.544 5.733 1.00 0.00 C ATOM 545 NE ARG A 38 -12.578 1.136 5.355 1.00 0.00 N ATOM 546 CZ ARG A 38 -13.608 0.297 5.371 1.00 0.00 C ATOM 547 NH1 ARG A 38 -14.808 0.722 5.743 1.00 0.00 N ATOM 548 NH2 ARG A 38 -13.439 -0.969 5.013 1.00 0.00 N ATOM 0 H ARG A 38 -10.133 2.914 9.856 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.842 2.799 7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.080 1.918 7.807 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.713 3.518 8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.313 4.200 5.811 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.551 2.661 5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.338 2.643 6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.130 3.108 4.917 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.669 0.778 5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.942 1.695 6.018 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.597 0.076 5.754 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.518 -1.299 4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.230 -1.613 5.026 1.00 0.00 H new ATOM 562 N SER A 39 -10.084 5.821 7.990 1.00 0.00 N ATOM 563 CA SER A 39 -9.977 7.220 7.594 1.00 0.00 C ATOM 564 C SER A 39 -8.537 7.710 7.713 1.00 0.00 C ATOM 565 O SER A 39 -7.929 8.128 6.728 1.00 0.00 O ATOM 566 CB SER A 39 -10.896 8.088 8.456 1.00 0.00 C ATOM 567 OG SER A 39 -12.214 7.569 8.478 1.00 0.00 O ATOM 0 H SER A 39 -10.748 5.646 8.745 1.00 0.00 H new ATOM 0 HA SER A 39 -10.285 7.301 6.552 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.505 8.139 9.472 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.909 9.106 8.068 1.00 0.00 H new ATOM 0 HG SER A 39 -12.781 8.140 9.037 1.00 0.00 H new ATOM 573 N GLU A 40 -7.998 7.655 8.927 1.00 0.00 N ATOM 574 CA GLU A 40 -6.630 8.094 9.176 1.00 0.00 C ATOM 575 C GLU A 40 -5.685 7.562 8.102 1.00 0.00 C ATOM 576 O GLU A 40 -4.925 8.320 7.498 1.00 0.00 O ATOM 577 CB GLU A 40 -6.164 7.628 10.557 1.00 0.00 C ATOM 578 CG GLU A 40 -4.710 7.955 10.851 1.00 0.00 C ATOM 579 CD GLU A 40 -4.354 7.768 12.313 1.00 0.00 C ATOM 580 OE1 GLU A 40 -5.024 6.959 12.989 1.00 0.00 O ATOM 581 OE2 GLU A 40 -3.405 8.431 12.782 1.00 0.00 O ATOM 0 H GLU A 40 -8.488 7.311 9.753 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.613 9.183 9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.793 8.090 11.318 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.308 6.550 10.635 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.068 7.320 10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.507 8.986 10.561 1.00 0.00 H new ATOM 588 N LEU A 41 -5.737 6.255 7.871 1.00 0.00 N ATOM 589 CA LEU A 41 -4.886 5.621 6.870 1.00 0.00 C ATOM 590 C LEU A 41 -5.067 6.276 5.505 1.00 0.00 C ATOM 591 O LEU A 41 -4.093 6.585 4.819 1.00 0.00 O ATOM 592 CB LEU A 41 -5.201 4.127 6.777 1.00 0.00 C ATOM 593 CG LEU A 41 -4.414 3.339 5.730 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.921 3.577 5.893 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.732 1.854 5.829 1.00 0.00 C ATOM 0 H LEU A 41 -6.359 5.614 8.363 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.848 5.750 7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.020 3.677 7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.264 4.013 6.565 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.712 3.689 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.377 3.008 5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.706 4.639 5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.608 3.255 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.163 1.309 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.464 1.490 6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.798 1.698 5.661 1.00 0.00 H new ATOM 607 N ARG A 42 -6.321 6.489 5.119 1.00 0.00 N ATOM 608 CA ARG A 42 -6.630 7.109 3.836 1.00 0.00 C ATOM 609 C ARG A 42 -5.977 8.484 3.726 1.00 0.00 C ATOM 610 O ARG A 42 -5.279 8.774 2.754 1.00 0.00 O ATOM 611 CB ARG A 42 -8.145 7.236 3.659 1.00 0.00 C ATOM 612 CG ARG A 42 -8.553 7.841 2.326 1.00 0.00 C ATOM 613 CD ARG A 42 -9.937 8.468 2.399 1.00 0.00 C ATOM 614 NE ARG A 42 -9.945 9.684 3.208 1.00 0.00 N ATOM 615 CZ ARG A 42 -11.024 10.435 3.396 1.00 0.00 C ATOM 616 NH1 ARG A 42 -12.177 10.096 2.835 1.00 0.00 N ATOM 617 NH2 ARG A 42 -10.952 11.527 4.146 1.00 0.00 N ATOM 0 H ARG A 42 -7.139 6.242 5.676 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.231 6.472 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.598 6.249 3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.546 7.850 4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.825 8.597 2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.542 7.069 1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.283 8.700 1.392 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.639 7.748 2.819 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.074 9.972 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.236 9.257 2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.005 10.674 2.981 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.067 11.791 4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.782 12.103 4.289 1.00 0.00 H new ATOM 631 N ASP A 43 -6.209 9.325 4.727 1.00 0.00 N ATOM 632 CA ASP A 43 -5.643 10.669 4.742 1.00 0.00 C ATOM 633 C ASP A 43 -4.144 10.630 4.467 1.00 0.00 C ATOM 634 O ASP A 43 -3.647 11.316 3.573 1.00 0.00 O ATOM 635 CB ASP A 43 -5.910 11.342 6.090 1.00 0.00 C ATOM 636 CG ASP A 43 -5.762 12.850 6.024 1.00 0.00 C ATOM 637 OD1 ASP A 43 -4.977 13.332 5.181 1.00 0.00 O ATOM 638 OD2 ASP A 43 -6.432 13.546 6.814 1.00 0.00 O ATOM 0 H ASP A 43 -6.785 9.100 5.538 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.123 11.248 3.954 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.917 11.093 6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.220 10.944 6.834 1.00 0.00 H new ATOM 643 N LYS A 44 -3.426 9.825 5.243 1.00 0.00 N ATOM 644 CA LYS A 44 -1.982 9.696 5.083 1.00 0.00 C ATOM 645 C LYS A 44 -1.621 9.370 3.638 1.00 0.00 C ATOM 646 O LYS A 44 -0.703 9.960 3.070 1.00 0.00 O ATOM 647 CB LYS A 44 -1.441 8.607 6.013 1.00 0.00 C ATOM 648 CG LYS A 44 -1.198 9.085 7.434 1.00 0.00 C ATOM 649 CD LYS A 44 -1.242 7.935 8.425 1.00 0.00 C ATOM 650 CE LYS A 44 -1.184 8.434 9.861 1.00 0.00 C ATOM 651 NZ LYS A 44 -1.374 7.328 10.840 1.00 0.00 N ATOM 0 H LYS A 44 -3.820 9.252 5.989 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.526 10.650 5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.146 7.776 6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.507 8.222 5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.228 9.579 7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.950 9.827 7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.155 7.359 8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.406 7.261 8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.223 8.916 10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.953 9.191 10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.870 7.689 11.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.938 6.571 10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.447 6.950 11.121 1.00 0.00 H new ATOM 665 N ALA A 45 -2.350 8.429 3.048 1.00 0.00 N ATOM 666 CA ALA A 45 -2.109 8.028 1.668 1.00 0.00 C ATOM 667 C ALA A 45 -2.269 9.209 0.717 1.00 0.00 C ATOM 668 O ALA A 45 -1.545 9.326 -0.272 1.00 0.00 O ATOM 669 CB ALA A 45 -3.050 6.899 1.273 1.00 0.00 C ATOM 0 H ALA A 45 -3.113 7.930 3.505 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.081 7.672 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.858 6.610 0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.884 6.042 1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.082 7.235 1.370 1.00 0.00 H new ATOM 675 N LEU A 46 -3.222 10.083 1.022 1.00 0.00 N ATOM 676 CA LEU A 46 -3.478 11.256 0.193 1.00 0.00 C ATOM 677 C LEU A 46 -2.282 12.203 0.205 1.00 0.00 C ATOM 678 O LEU A 46 -1.898 12.745 -0.830 1.00 0.00 O ATOM 679 CB LEU A 46 -4.728 11.988 0.685 1.00 0.00 C ATOM 680 CG LEU A 46 -6.032 11.190 0.650 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.071 11.823 1.562 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.559 11.091 -0.774 1.00 0.00 C ATOM 0 H LEU A 46 -3.830 10.002 1.837 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.640 10.919 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.553 12.315 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.859 12.886 0.082 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.828 10.182 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.992 11.241 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.695 11.840 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.272 12.842 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.487 10.520 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.746 12.092 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.821 10.590 -1.401 1.00 0.00 H new ATOM 694 N GLU A 47 -1.698 12.394 1.384 1.00 0.00 N ATOM 695 CA GLU A 47 -0.545 13.275 1.529 1.00 0.00 C ATOM 696 C GLU A 47 0.538 12.925 0.513 1.00 0.00 C ATOM 697 O GLU A 47 1.005 13.785 -0.235 1.00 0.00 O ATOM 698 CB GLU A 47 0.022 13.180 2.948 1.00 0.00 C ATOM 699 CG GLU A 47 -0.632 14.137 3.930 1.00 0.00 C ATOM 700 CD GLU A 47 0.033 15.499 3.948 1.00 0.00 C ATOM 701 OE1 GLU A 47 0.737 15.829 2.971 1.00 0.00 O ATOM 702 OE2 GLU A 47 -0.152 16.236 4.939 1.00 0.00 O ATOM 0 H GLU A 47 -2.004 11.952 2.251 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.875 14.297 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.101 12.160 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.093 13.381 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.684 14.254 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.596 13.706 4.930 1.00 0.00 H new ATOM 709 N LEU A 48 0.934 11.657 0.492 1.00 0.00 N ATOM 710 CA LEU A 48 1.963 11.192 -0.432 1.00 0.00 C ATOM 711 C LEU A 48 1.568 11.481 -1.877 1.00 0.00 C ATOM 712 O LEU A 48 2.390 11.384 -2.787 1.00 0.00 O ATOM 713 CB LEU A 48 2.202 9.692 -0.247 1.00 0.00 C ATOM 714 CG LEU A 48 2.462 9.226 1.186 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.032 7.778 1.363 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.932 9.396 1.544 1.00 0.00 C ATOM 0 H LEU A 48 0.558 10.933 1.104 1.00 0.00 H new ATOM 0 HA LEU A 48 2.885 11.731 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.334 9.156 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.053 9.401 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 48 1.871 9.844 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.225 7.464 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.967 7.686 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.596 7.145 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.099 9.059 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.543 8.804 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.208 10.447 1.458 1.00 0.00 H new ATOM 728 N GLY A 49 0.304 11.838 -2.079 1.00 0.00 N ATOM 729 CA GLY A 49 -0.178 12.138 -3.415 1.00 0.00 C ATOM 730 C GLY A 49 -0.680 10.905 -4.141 1.00 0.00 C ATOM 731 O GLY A 49 -0.643 10.842 -5.369 1.00 0.00 O ATOM 0 H GLY A 49 -0.395 11.925 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.982 12.871 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.625 12.595 -3.994 1.00 0.00 H new ATOM 735 N ALA A 50 -1.149 9.923 -3.379 1.00 0.00 N ATOM 736 CA ALA A 50 -1.661 8.686 -3.957 1.00 0.00 C ATOM 737 C ALA A 50 -3.183 8.711 -4.046 1.00 0.00 C ATOM 738 O ALA A 50 -3.848 9.431 -3.300 1.00 0.00 O ATOM 739 CB ALA A 50 -1.198 7.490 -3.139 1.00 0.00 C ATOM 0 H ALA A 50 -1.185 9.959 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.265 8.595 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.588 6.573 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.109 7.455 -3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.566 7.584 -2.117 1.00 0.00 H new ATOM 745 N LYS A 51 -3.731 7.921 -4.963 1.00 0.00 N ATOM 746 CA LYS A 51 -5.175 7.851 -5.150 1.00 0.00 C ATOM 747 C LYS A 51 -5.778 6.725 -4.315 1.00 0.00 C ATOM 748 O LYS A 51 -5.301 5.590 -4.349 1.00 0.00 O ATOM 749 CB LYS A 51 -5.509 7.638 -6.628 1.00 0.00 C ATOM 750 CG LYS A 51 -5.631 8.931 -7.416 1.00 0.00 C ATOM 751 CD LYS A 51 -4.268 9.479 -7.804 1.00 0.00 C ATOM 752 CE LYS A 51 -3.789 8.896 -9.125 1.00 0.00 C ATOM 753 NZ LYS A 51 -2.304 8.921 -9.236 1.00 0.00 N ATOM 0 H LYS A 51 -3.196 7.319 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.605 8.796 -4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.736 7.018 -7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.446 7.086 -6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.223 8.756 -8.314 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.166 9.671 -6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.320 10.565 -7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.546 9.250 -7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.143 7.869 -9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.224 9.460 -9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.017 8.515 -10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.968 9.903 -9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.889 8.362 -8.464 1.00 0.00 H new ATOM 767 N TYR A 52 -6.828 7.046 -3.568 1.00 0.00 N ATOM 768 CA TYR A 52 -7.495 6.062 -2.724 1.00 0.00 C ATOM 769 C TYR A 52 -8.774 5.556 -3.384 1.00 0.00 C ATOM 770 O TYR A 52 -9.734 6.307 -3.559 1.00 0.00 O ATOM 771 CB TYR A 52 -7.818 6.668 -1.357 1.00 0.00 C ATOM 772 CG TYR A 52 -9.025 6.047 -0.690 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.077 4.682 -0.436 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.112 6.825 -0.312 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.178 4.110 0.172 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.216 6.263 0.299 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.244 4.905 0.538 1.00 0.00 C ATOM 778 OH TYR A 52 -12.342 4.339 1.146 1.00 0.00 O ATOM 0 H TYR A 52 -7.236 7.980 -3.530 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.819 5.218 -2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.953 6.553 -0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.988 7.738 -1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.243 4.057 -0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.094 7.888 -0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.204 3.047 0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.052 6.883 0.588 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.003 5.035 1.341 1.00 0.00 H new ATOM 788 N ARG A 53 -8.779 4.278 -3.747 1.00 0.00 N ATOM 789 CA ARG A 53 -9.939 3.670 -4.388 1.00 0.00 C ATOM 790 C ARG A 53 -10.639 2.701 -3.439 1.00 0.00 C ATOM 791 O ARG A 53 -10.006 2.005 -2.645 1.00 0.00 O ATOM 792 CB ARG A 53 -9.517 2.937 -5.663 1.00 0.00 C ATOM 793 CG ARG A 53 -9.134 3.867 -6.801 1.00 0.00 C ATOM 794 CD ARG A 53 -10.354 4.550 -7.398 1.00 0.00 C ATOM 795 NE ARG A 53 -10.703 5.773 -6.680 1.00 0.00 N ATOM 796 CZ ARG A 53 -9.926 6.850 -6.642 1.00 0.00 C ATOM 797 NH1 ARG A 53 -8.762 6.855 -7.277 1.00 0.00 N ATOM 798 NH2 ARG A 53 -10.312 7.925 -5.967 1.00 0.00 N ATOM 0 H ARG A 53 -7.993 3.643 -3.608 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.638 4.465 -4.648 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.672 2.287 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.334 2.294 -5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.436 4.621 -6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.617 3.301 -7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.161 4.787 -8.444 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.200 3.863 -7.377 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.592 5.802 -6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.461 6.030 -7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.168 7.683 -7.246 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.206 7.925 -5.476 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.714 8.751 -5.939 1.00 0.00 H new ATOM 812 N PRO A 54 -11.976 2.654 -3.522 1.00 0.00 N ATOM 813 CA PRO A 54 -12.792 1.775 -2.678 1.00 0.00 C ATOM 814 C PRO A 54 -12.620 0.303 -3.039 1.00 0.00 C ATOM 815 O PRO A 54 -12.808 -0.577 -2.200 1.00 0.00 O ATOM 816 CB PRO A 54 -14.223 2.233 -2.968 1.00 0.00 C ATOM 817 CG PRO A 54 -14.161 2.834 -4.330 1.00 0.00 C ATOM 818 CD PRO A 54 -12.797 3.456 -4.446 1.00 0.00 C ATOM 0 HA PRO A 54 -12.513 1.845 -1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -14.920 1.396 -2.936 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.563 2.959 -2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.311 2.076 -5.098 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.943 3.581 -4.463 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.418 3.406 -5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.810 4.508 -4.162 1.00 0.00 H new ATOM 826 N ASP A 55 -12.262 0.044 -4.292 1.00 0.00 N ATOM 827 CA ASP A 55 -12.063 -1.321 -4.763 1.00 0.00 C ATOM 828 C ASP A 55 -10.912 -1.390 -5.761 1.00 0.00 C ATOM 829 O ASP A 55 -10.477 -0.368 -6.294 1.00 0.00 O ATOM 830 CB ASP A 55 -13.345 -1.853 -5.407 1.00 0.00 C ATOM 831 CG ASP A 55 -14.571 -1.596 -4.553 1.00 0.00 C ATOM 832 OD1 ASP A 55 -14.762 -2.322 -3.554 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.340 -0.669 -4.883 1.00 0.00 O ATOM 0 H ASP A 55 -12.104 0.762 -4.999 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.812 -1.942 -3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.480 -1.384 -6.382 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.244 -2.925 -5.580 1.00 0.00 H new ATOM 838 N TRP A 56 -10.421 -2.599 -6.009 1.00 0.00 N ATOM 839 CA TRP A 56 -9.319 -2.800 -6.943 1.00 0.00 C ATOM 840 C TRP A 56 -9.701 -2.337 -8.344 1.00 0.00 C ATOM 841 O TRP A 56 -10.506 -2.976 -9.023 1.00 0.00 O ATOM 842 CB TRP A 56 -8.912 -4.274 -6.973 1.00 0.00 C ATOM 843 CG TRP A 56 -7.669 -4.530 -7.771 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.557 -5.311 -8.885 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.362 -4.005 -7.513 1.00 0.00 C ATOM 846 NE1 TRP A 56 -6.259 -5.304 -9.336 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.506 -4.510 -8.512 1.00 0.00 C ATOM 848 CE3 TRP A 56 -5.831 -3.157 -6.538 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -4.151 -4.193 -8.561 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.486 -2.845 -6.587 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.659 -3.361 -7.593 1.00 0.00 C ATOM 0 H TRP A 56 -10.769 -3.455 -5.576 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.473 -2.203 -6.602 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.758 -4.622 -5.952 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.730 -4.861 -7.390 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.369 -5.855 -9.344 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.912 -5.808 -10.152 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.461 -2.752 -5.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.511 -4.590 -9.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.065 -2.192 -5.837 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.612 -3.097 -7.605 1.00 0.00 H new ATOM 862 N THR A 57 -9.119 -1.221 -8.773 1.00 0.00 N ATOM 863 CA THR A 57 -9.400 -0.672 -10.094 1.00 0.00 C ATOM 864 C THR A 57 -8.294 -1.023 -11.082 1.00 0.00 C ATOM 865 O THR A 57 -7.217 -1.474 -10.689 1.00 0.00 O ATOM 866 CB THR A 57 -9.560 0.859 -10.043 1.00 0.00 C ATOM 867 OG1 THR A 57 -8.419 1.451 -9.412 1.00 0.00 O ATOM 868 CG2 THR A 57 -10.822 1.247 -9.287 1.00 0.00 C ATOM 0 H THR A 57 -8.450 -0.680 -8.225 1.00 0.00 H new ATOM 0 HA THR A 57 -10.337 -1.117 -10.429 1.00 0.00 H new ATOM 0 HB THR A 57 -9.641 1.227 -11.066 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.363 2.398 -9.659 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.913 2.333 -9.264 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.691 0.820 -9.787 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.767 0.866 -8.267 1.00 0.00 H new ATOM 876 N ARG A 58 -8.565 -0.813 -12.366 1.00 0.00 N ATOM 877 CA ARG A 58 -7.592 -1.109 -13.411 1.00 0.00 C ATOM 878 C ARG A 58 -6.425 -0.126 -13.360 1.00 0.00 C ATOM 879 O ARG A 58 -5.324 -0.431 -13.818 1.00 0.00 O ATOM 880 CB ARG A 58 -8.257 -1.057 -14.787 1.00 0.00 C ATOM 881 CG ARG A 58 -9.485 -1.945 -14.903 1.00 0.00 C ATOM 882 CD ARG A 58 -10.751 -1.198 -14.511 1.00 0.00 C ATOM 883 NE ARG A 58 -11.923 -1.694 -15.227 1.00 0.00 N ATOM 884 CZ ARG A 58 -13.114 -1.108 -15.184 1.00 0.00 C ATOM 885 NH1 ARG A 58 -13.289 -0.009 -14.462 1.00 0.00 N ATOM 886 NH2 ARG A 58 -14.133 -1.619 -15.863 1.00 0.00 N ATOM 0 H ARG A 58 -9.450 -0.439 -12.708 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.207 -2.114 -13.240 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.541 -0.028 -15.005 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.531 -1.354 -15.544 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.578 -2.308 -15.927 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.365 -2.820 -14.264 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.913 -1.298 -13.438 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.623 -0.135 -14.717 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.821 -2.537 -15.792 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.508 0.387 -13.939 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.204 0.440 -14.430 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.003 -2.464 -16.420 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.047 -1.167 -15.828 1.00 0.00 H new ATOM 900 N ASP A 59 -6.676 1.054 -12.803 1.00 0.00 N ATOM 901 CA ASP A 59 -5.647 2.081 -12.692 1.00 0.00 C ATOM 902 C ASP A 59 -4.804 1.873 -11.438 1.00 0.00 C ATOM 903 O ASP A 59 -3.735 2.465 -11.292 1.00 0.00 O ATOM 904 CB ASP A 59 -6.285 3.471 -12.669 1.00 0.00 C ATOM 905 CG ASP A 59 -7.322 3.650 -13.760 1.00 0.00 C ATOM 906 OD1 ASP A 59 -8.403 3.033 -13.658 1.00 0.00 O ATOM 907 OD2 ASP A 59 -7.053 4.407 -14.716 1.00 0.00 O ATOM 0 H ASP A 59 -7.583 1.323 -12.422 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.995 2.003 -13.562 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.751 3.638 -11.698 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.508 4.226 -12.783 1.00 0.00 H new ATOM 912 N SER A 60 -5.294 1.030 -10.535 1.00 0.00 N ATOM 913 CA SER A 60 -4.588 0.748 -9.291 1.00 0.00 C ATOM 914 C SER A 60 -3.169 0.260 -9.569 1.00 0.00 C ATOM 915 O SER A 60 -2.937 -0.517 -10.496 1.00 0.00 O ATOM 916 CB SER A 60 -5.348 -0.300 -8.475 1.00 0.00 C ATOM 917 OG SER A 60 -6.510 0.258 -7.886 1.00 0.00 O ATOM 0 H SER A 60 -6.177 0.531 -10.642 1.00 0.00 H new ATOM 0 HA SER A 60 -4.530 1.673 -8.718 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.627 -1.134 -9.118 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.699 -0.701 -7.697 1.00 0.00 H new ATOM 0 HG SER A 60 -7.063 0.671 -8.582 1.00 0.00 H new ATOM 923 N THR A 61 -2.222 0.723 -8.759 1.00 0.00 N ATOM 924 CA THR A 61 -0.825 0.336 -8.918 1.00 0.00 C ATOM 925 C THR A 61 -0.377 -0.580 -7.785 1.00 0.00 C ATOM 926 O THR A 61 0.312 -1.566 -8.046 1.00 0.00 O ATOM 927 CB THR A 61 0.097 1.569 -8.961 1.00 0.00 C ATOM 928 OG1 THR A 61 -0.136 2.396 -7.816 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.135 2.375 -10.231 1.00 0.00 C ATOM 0 H THR A 61 -2.397 1.366 -7.987 1.00 0.00 H new ATOM 0 HA THR A 61 -0.750 -0.198 -9.865 1.00 0.00 H new ATOM 0 HB THR A 61 1.130 1.222 -8.953 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.398 2.069 -7.062 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.527 3.241 -10.239 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.073 1.752 -11.101 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.171 2.711 -10.265 1.00 0.00 H new ATOM 937 N HIS A 62 -0.771 -0.241 -6.567 1.00 0.00 N ATOM 938 CA HIS A 62 -0.404 -1.042 -5.411 1.00 0.00 C ATOM 939 C HIS A 62 -1.658 -1.388 -4.606 1.00 0.00 C ATOM 940 O HIS A 62 -2.712 -0.764 -4.739 1.00 0.00 O ATOM 941 CB HIS A 62 0.661 -0.330 -4.574 1.00 0.00 C ATOM 942 CG HIS A 62 1.805 0.232 -5.384 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.618 0.910 -6.575 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.150 0.210 -5.160 1.00 0.00 C ATOM 945 CE1 HIS A 62 2.804 1.274 -7.040 1.00 0.00 C ATOM 946 NE2 HIS A 62 3.753 0.839 -6.162 1.00 0.00 N ATOM 0 H HIS A 62 -1.341 0.578 -6.355 1.00 0.00 H new ATOM 0 HA HIS A 62 0.043 -1.980 -5.741 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.190 0.481 -4.019 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.059 -1.030 -3.839 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.642 -0.242 -4.311 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.987 1.819 -7.954 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.759 0.974 -6.259 1.00 0.00 H new ATOM 954 N LEU A 63 -1.520 -2.404 -3.762 1.00 0.00 N ATOM 955 CA LEU A 63 -2.624 -2.855 -2.922 1.00 0.00 C ATOM 956 C LEU A 63 -2.266 -2.743 -1.444 1.00 0.00 C ATOM 957 O LEU A 63 -1.295 -3.343 -0.983 1.00 0.00 O ATOM 958 CB LEU A 63 -2.990 -4.301 -3.261 1.00 0.00 C ATOM 959 CG LEU A 63 -4.314 -4.811 -2.689 1.00 0.00 C ATOM 960 CD1 LEU A 63 -4.321 -4.693 -1.173 1.00 0.00 C ATOM 961 CD2 LEU A 63 -5.484 -4.047 -3.291 1.00 0.00 C ATOM 0 H LEU A 63 -0.655 -2.931 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.483 -2.213 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.023 -4.401 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.190 -4.950 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.420 -5.864 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.271 -5.060 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.505 -5.285 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.192 -3.649 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.418 -4.423 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.384 -2.987 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.490 -4.183 -4.372 1.00 0.00 H new ATOM 973 N ILE A 64 -3.057 -1.971 -0.706 1.00 0.00 N ATOM 974 CA ILE A 64 -2.825 -1.783 0.721 1.00 0.00 C ATOM 975 C ILE A 64 -3.579 -2.823 1.543 1.00 0.00 C ATOM 976 O ILE A 64 -4.771 -2.671 1.814 1.00 0.00 O ATOM 977 CB ILE A 64 -3.251 -0.376 1.180 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.589 0.691 0.306 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.894 -0.166 2.644 1.00 0.00 C ATOM 980 CD1 ILE A 64 -1.085 0.748 0.458 1.00 0.00 C ATOM 0 H ILE A 64 -3.864 -1.466 -1.073 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.754 -1.901 0.884 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.332 -0.287 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.834 0.497 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.009 1.665 0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.201 0.833 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.408 -0.909 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.817 -0.271 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.683 1.526 -0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.832 0.973 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.654 -0.214 0.180 1.00 0.00 H new ATOM 992 N CYS A 65 -2.877 -3.880 1.937 1.00 0.00 N ATOM 993 CA CYS A 65 -3.479 -4.946 2.730 1.00 0.00 C ATOM 994 C CYS A 65 -3.028 -4.864 4.184 1.00 0.00 C ATOM 995 O CYS A 65 -1.865 -4.576 4.469 1.00 0.00 O ATOM 996 CB CYS A 65 -3.115 -6.311 2.146 1.00 0.00 C ATOM 997 SG CYS A 65 -3.709 -7.713 3.122 1.00 0.00 S ATOM 0 H CYS A 65 -1.890 -4.022 1.720 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.561 -4.822 2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.524 -6.384 1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.031 -6.378 2.055 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.354 -8.824 2.547 1.00 0.00 H new ATOM 1003 N ALA A 66 -3.956 -5.116 5.102 1.00 0.00 N ATOM 1004 CA ALA A 66 -3.653 -5.071 6.527 1.00 0.00 C ATOM 1005 C ALA A 66 -3.156 -6.424 7.026 1.00 0.00 C ATOM 1006 O ALA A 66 -2.232 -6.497 7.836 1.00 0.00 O ATOM 1007 CB ALA A 66 -4.880 -4.635 7.313 1.00 0.00 C ATOM 0 H ALA A 66 -4.924 -5.353 4.884 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.858 -4.342 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.640 -4.606 8.376 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.190 -3.643 6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.691 -5.343 7.144 1.00 0.00 H new ATOM 1013 N PHE A 67 -3.775 -7.493 6.537 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.397 -8.844 6.935 1.00 0.00 C ATOM 1015 C PHE A 67 -3.756 -9.852 5.847 1.00 0.00 C ATOM 1016 O PHE A 67 -4.830 -9.780 5.249 1.00 0.00 O ATOM 1017 CB PHE A 67 -4.087 -9.225 8.246 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.421 -8.562 8.436 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -5.501 -7.239 8.841 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -6.596 -9.262 8.210 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -6.728 -6.626 9.016 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -7.825 -8.654 8.383 1.00 0.00 C ATOM 1023 CZ PHE A 67 -7.891 -7.335 8.788 1.00 0.00 C ATOM 0 H PHE A 67 -4.541 -7.450 5.864 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.317 -8.863 7.082 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.220 -10.306 8.276 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.437 -8.960 9.080 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.595 -6.680 9.022 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.550 -10.294 7.895 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.777 -5.594 9.331 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.733 -9.210 8.202 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.851 -6.859 8.926 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.850 -10.791 5.596 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.071 -11.815 4.582 1.00 0.00 C ATOM 1035 C ALA A 68 -4.349 -12.598 4.862 1.00 0.00 C ATOM 1036 O ALA A 68 -5.058 -12.322 5.829 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.878 -12.756 4.513 1.00 0.00 C ATOM 0 H ALA A 68 -1.956 -10.864 6.081 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.184 -11.318 3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.057 -13.515 3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.982 -12.190 4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.738 -13.238 5.481 1.00 0.00 H new ATOM 1043 N ASN A 69 -4.638 -13.575 4.009 1.00 0.00 N ATOM 1044 CA ASN A 69 -5.832 -14.398 4.164 1.00 0.00 C ATOM 1045 C ASN A 69 -7.096 -13.564 3.973 1.00 0.00 C ATOM 1046 O ASN A 69 -8.046 -13.669 4.748 1.00 0.00 O ATOM 1047 CB ASN A 69 -5.847 -15.057 5.545 1.00 0.00 C ATOM 1048 CG ASN A 69 -4.542 -15.760 5.864 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -3.983 -16.466 5.024 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -4.049 -15.569 7.082 1.00 0.00 N ATOM 0 H ASN A 69 -4.062 -13.816 3.203 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.810 -15.174 3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.044 -14.300 6.304 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.665 -15.776 5.593 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.173 -16.016 7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.546 -14.976 7.746 1.00 0.00 H new ATOM 1057 N THR A 70 -7.099 -12.734 2.934 1.00 0.00 N ATOM 1058 CA THR A 70 -8.244 -11.882 2.640 1.00 0.00 C ATOM 1059 C THR A 70 -8.731 -12.088 1.210 1.00 0.00 C ATOM 1060 O THR A 70 -7.996 -12.555 0.340 1.00 0.00 O ATOM 1061 CB THR A 70 -7.904 -10.394 2.845 1.00 0.00 C ATOM 1062 OG1 THR A 70 -6.543 -10.147 2.474 1.00 0.00 O ATOM 1063 CG2 THR A 70 -8.122 -9.983 4.294 1.00 0.00 C ATOM 0 H THR A 70 -6.321 -12.634 2.282 1.00 0.00 H new ATOM 0 HA THR A 70 -9.035 -12.166 3.334 1.00 0.00 H new ATOM 0 HB THR A 70 -8.566 -9.803 2.213 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.003 -10.015 3.281 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.875 -8.928 4.414 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.165 -10.145 4.565 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.482 -10.581 4.942 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.999 -11.732 0.959 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.612 -11.868 -0.366 1.00 0.00 C ATOM 1073 C PRO A 71 -10.032 -10.884 -1.376 1.00 0.00 C ATOM 1074 O PRO A 71 -10.052 -11.132 -2.582 1.00 0.00 O ATOM 1075 CB PRO A 71 -12.089 -11.561 -0.107 1.00 0.00 C ATOM 1076 CG PRO A 71 -12.089 -10.700 1.109 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.933 -11.169 1.949 1.00 0.00 C ATOM 0 HA PRO A 71 -10.437 -12.854 -0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.541 -11.048 -0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.661 -12.475 0.055 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.977 -9.649 0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.029 -10.793 1.653 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.482 -10.348 2.506 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.244 -11.916 2.679 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.516 -9.766 -0.877 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.929 -8.744 -1.735 1.00 0.00 C ATOM 1087 C LYS A 72 -7.438 -8.995 -1.938 1.00 0.00 C ATOM 1088 O LYS A 72 -6.894 -8.729 -3.010 1.00 0.00 O ATOM 1089 CB LYS A 72 -9.145 -7.355 -1.131 1.00 0.00 C ATOM 1090 CG LYS A 72 -10.442 -6.696 -1.569 1.00 0.00 C ATOM 1091 CD LYS A 72 -10.345 -6.165 -2.989 1.00 0.00 C ATOM 1092 CE LYS A 72 -11.614 -5.431 -3.397 1.00 0.00 C ATOM 1093 NZ LYS A 72 -12.733 -6.372 -3.677 1.00 0.00 N ATOM 0 H LYS A 72 -9.492 -9.545 0.118 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.424 -8.792 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.137 -7.435 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.309 -6.713 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.257 -7.416 -1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.684 -5.879 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.492 -5.491 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.164 -6.992 -3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.907 -4.744 -2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.416 -4.828 -4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.579 -5.833 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.463 -7.011 -4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.939 -6.930 -2.824 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.783 -9.510 -0.903 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.355 -9.796 -0.968 1.00 0.00 C ATOM 1109 C TYR A 73 -5.042 -10.749 -2.117 1.00 0.00 C ATOM 1110 O TYR A 73 -4.271 -10.421 -3.019 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.873 -10.396 0.354 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.520 -11.064 0.258 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -2.350 -10.317 0.306 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -3.412 -12.443 0.120 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -1.111 -10.923 0.218 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -2.178 -13.058 0.033 1.00 0.00 C ATOM 1117 CZ TYR A 73 -1.031 -12.294 0.082 1.00 0.00 C ATOM 1118 OH TYR A 73 0.201 -12.901 -0.005 1.00 0.00 O ATOM 0 H TYR A 73 -7.218 -9.738 -0.009 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.830 -8.857 -1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.827 -9.608 1.106 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.605 -11.125 0.701 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.409 -9.244 0.414 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.308 -13.044 0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.211 -10.327 0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.112 -14.131 -0.073 1.00 0.00 H new ATOM 0 HH TYR A 73 0.083 -13.870 -0.096 1.00 0.00 H new ATOM 1128 N SER A 74 -5.646 -11.932 -2.077 1.00 0.00 N ATOM 1129 CA SER A 74 -5.431 -12.937 -3.112 1.00 0.00 C ATOM 1130 C SER A 74 -5.862 -12.410 -4.478 1.00 0.00 C ATOM 1131 O SER A 74 -5.141 -12.553 -5.465 1.00 0.00 O ATOM 1132 CB SER A 74 -6.201 -14.216 -2.780 1.00 0.00 C ATOM 1133 OG SER A 74 -5.767 -15.297 -3.586 1.00 0.00 O ATOM 0 H SER A 74 -6.289 -12.219 -1.339 1.00 0.00 H new ATOM 0 HA SER A 74 -4.365 -13.163 -3.148 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.063 -14.465 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.268 -14.051 -2.931 1.00 0.00 H new ATOM 0 HG SER A 74 -6.274 -16.103 -3.353 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.042 -11.801 -4.524 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.570 -11.253 -5.768 1.00 0.00 C ATOM 1141 C GLN A 75 -6.511 -10.429 -6.493 1.00 0.00 C ATOM 1142 O GLN A 75 -6.121 -10.749 -7.616 1.00 0.00 O ATOM 1143 CB GLN A 75 -8.802 -10.391 -5.489 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.621 -10.078 -6.731 1.00 0.00 C ATOM 1145 CD GLN A 75 -10.205 -11.321 -7.372 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -9.513 -12.052 -8.081 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -11.486 -11.568 -7.126 1.00 0.00 N ATOM 0 H GLN A 75 -7.650 -11.675 -3.715 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.857 -12.086 -6.409 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.436 -10.903 -4.765 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.484 -9.456 -5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.429 -9.396 -6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -8.992 -9.561 -7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.023 -10.935 -6.532 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.934 -12.390 -7.531 1.00 0.00 H new ATOM 1156 N VAL A 76 -6.050 -9.365 -5.843 1.00 0.00 N ATOM 1157 CA VAL A 76 -5.035 -8.494 -6.425 1.00 0.00 C ATOM 1158 C VAL A 76 -3.711 -9.230 -6.594 1.00 0.00 C ATOM 1159 O VAL A 76 -2.818 -8.770 -7.308 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.807 -7.241 -5.558 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.837 -6.289 -6.242 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -6.129 -6.549 -5.265 1.00 0.00 C ATOM 0 H VAL A 76 -6.363 -9.085 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.404 -8.187 -7.404 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.368 -7.550 -4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.688 -5.410 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.882 -6.791 -6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.246 -5.983 -7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.949 -5.666 -4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.599 -6.250 -6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.788 -7.234 -4.731 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.589 -10.377 -5.934 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.373 -11.179 -6.012 1.00 0.00 C ATOM 1174 C LEU A 77 -2.311 -11.949 -7.326 1.00 0.00 C ATOM 1175 O LEU A 77 -1.367 -11.802 -8.101 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.304 -12.151 -4.833 1.00 0.00 C ATOM 1177 CG LEU A 77 -0.911 -12.661 -4.464 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -0.891 -13.171 -3.031 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -0.470 -13.754 -5.427 1.00 0.00 C ATOM 0 H LEU A 77 -4.317 -10.772 -5.339 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.518 -10.504 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.733 -11.661 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.935 -13.010 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.209 -11.831 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.109 -13.530 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.162 -12.362 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.605 -13.987 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.524 -14.105 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.174 -14.585 -5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.443 -13.356 -6.441 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.327 -12.772 -7.572 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.370 -13.552 -8.795 1.00 0.00 C ATOM 1193 C GLY A 78 -3.294 -12.687 -10.038 1.00 0.00 C ATOM 1194 O GLY A 78 -2.638 -13.049 -11.016 1.00 0.00 O ATOM 0 H GLY A 78 -4.120 -12.912 -6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.543 -14.262 -8.799 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.290 -14.135 -8.818 1.00 0.00 H new ATOM 1198 N LEU A 79 -3.968 -11.543 -10.002 1.00 0.00 N ATOM 1199 CA LEU A 79 -3.975 -10.624 -11.135 1.00 0.00 C ATOM 1200 C LEU A 79 -2.554 -10.237 -11.532 1.00 0.00 C ATOM 1201 O LEU A 79 -2.244 -10.103 -12.714 1.00 0.00 O ATOM 1202 CB LEU A 79 -4.781 -9.369 -10.794 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.299 -9.543 -10.733 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -6.923 -8.475 -9.848 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -6.898 -9.497 -12.131 1.00 0.00 C ATOM 0 H LEU A 79 -4.516 -11.230 -9.201 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.443 -11.131 -11.979 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.439 -8.993 -9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.553 -8.602 -11.534 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.517 -10.519 -10.299 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.004 -8.614 -9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.517 -8.555 -8.840 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.696 -7.489 -10.253 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.979 -9.623 -12.068 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.671 -8.536 -12.593 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.474 -10.299 -12.735 1.00 0.00 H new ATOM 1217 N GLY A 80 -1.693 -10.061 -10.533 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.315 -9.693 -10.799 1.00 0.00 C ATOM 1219 C GLY A 80 0.030 -8.316 -10.269 1.00 0.00 C ATOM 1220 O GLY A 80 1.063 -7.748 -10.621 1.00 0.00 O ATOM 0 H GLY A 80 -1.926 -10.167 -9.546 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.348 -10.430 -10.346 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.136 -9.721 -11.874 1.00 0.00 H new ATOM 1224 N GLY A 81 -0.839 -7.775 -9.419 1.00 0.00 N ATOM 1225 CA GLY A 81 -0.604 -6.459 -8.855 1.00 0.00 C ATOM 1226 C GLY A 81 0.407 -6.485 -7.725 1.00 0.00 C ATOM 1227 O GLY A 81 0.684 -7.540 -7.155 1.00 0.00 O ATOM 0 H GLY A 81 -1.701 -8.225 -9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.251 -5.789 -9.639 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.545 -6.051 -8.487 1.00 0.00 H new ATOM 1231 N ARG A 82 0.960 -5.320 -7.402 1.00 0.00 N ATOM 1232 CA ARG A 82 1.948 -5.214 -6.335 1.00 0.00 C ATOM 1233 C ARG A 82 1.268 -5.080 -4.976 1.00 0.00 C ATOM 1234 O ARG A 82 0.808 -3.999 -4.605 1.00 0.00 O ATOM 1235 CB ARG A 82 2.866 -4.015 -6.579 1.00 0.00 C ATOM 1236 CG ARG A 82 3.857 -3.768 -5.453 1.00 0.00 C ATOM 1237 CD ARG A 82 5.130 -3.112 -5.965 1.00 0.00 C ATOM 1238 NE ARG A 82 4.850 -1.911 -6.748 1.00 0.00 N ATOM 1239 CZ ARG A 82 5.792 -1.176 -7.329 1.00 0.00 C ATOM 1240 NH1 ARG A 82 7.068 -1.519 -7.217 1.00 0.00 N ATOM 1241 NH2 ARG A 82 5.458 -0.097 -8.024 1.00 0.00 N ATOM 0 H ARG A 82 0.741 -4.437 -7.864 1.00 0.00 H new ATOM 0 HA ARG A 82 2.545 -6.126 -6.334 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.415 -4.172 -7.507 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.255 -3.123 -6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.398 -3.132 -4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.103 -4.713 -4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.769 -2.854 -5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.683 -3.824 -6.578 1.00 0.00 H new ATOM 0 HE ARG A 82 3.878 -1.621 -6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.328 -2.349 -6.684 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.789 -0.953 -7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.477 0.169 -8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.182 0.467 -8.470 1.00 0.00 H new ATOM 1255 N ILE A 83 1.208 -6.183 -4.239 1.00 0.00 N ATOM 1256 CA ILE A 83 0.585 -6.188 -2.921 1.00 0.00 C ATOM 1257 C ILE A 83 1.608 -5.899 -1.828 1.00 0.00 C ATOM 1258 O ILE A 83 2.633 -6.573 -1.728 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.098 -7.537 -2.626 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.174 -7.828 -3.673 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -0.699 -7.531 -1.228 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -2.087 -8.975 -3.299 1.00 0.00 C ATOM 0 H ILE A 83 1.583 -7.085 -4.532 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.170 -5.401 -2.926 1.00 0.00 H new ATOM 0 HB ILE A 83 0.652 -8.326 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.774 -6.931 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.692 -8.053 -4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.178 -8.491 -1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.089 -7.364 -0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.439 -6.734 -1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.825 -9.125 -4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.498 -9.884 -3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.597 -8.744 -2.364 1.00 0.00 H new ATOM 1274 N VAL A 84 1.322 -4.893 -1.008 1.00 0.00 N ATOM 1275 CA VAL A 84 2.215 -4.516 0.081 1.00 0.00 C ATOM 1276 C VAL A 84 1.435 -4.235 1.360 1.00 0.00 C ATOM 1277 O VAL A 84 0.242 -3.937 1.319 1.00 0.00 O ATOM 1278 CB VAL A 84 3.049 -3.272 -0.282 1.00 0.00 C ATOM 1279 CG1 VAL A 84 4.233 -3.659 -1.155 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.181 -2.234 -0.976 1.00 0.00 C ATOM 0 H VAL A 84 0.478 -4.324 -1.077 1.00 0.00 H new ATOM 0 HA VAL A 84 2.886 -5.359 0.246 1.00 0.00 H new ATOM 0 HB VAL A 84 3.435 -2.833 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.810 -2.768 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.866 -4.364 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.872 -4.123 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.786 -1.362 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.764 -2.660 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.370 -1.935 -0.312 1.00 0.00 H new ATOM 1290 N ARG A 85 2.118 -4.333 2.497 1.00 0.00 N ATOM 1291 CA ARG A 85 1.489 -4.091 3.789 1.00 0.00 C ATOM 1292 C ARG A 85 1.290 -2.597 4.025 1.00 0.00 C ATOM 1293 O ARG A 85 1.932 -1.765 3.384 1.00 0.00 O ATOM 1294 CB ARG A 85 2.337 -4.688 4.913 1.00 0.00 C ATOM 1295 CG ARG A 85 2.007 -6.139 5.222 1.00 0.00 C ATOM 1296 CD ARG A 85 3.004 -6.742 6.199 1.00 0.00 C ATOM 1297 NE ARG A 85 2.982 -6.063 7.492 1.00 0.00 N ATOM 1298 CZ ARG A 85 3.902 -6.245 8.433 1.00 0.00 C ATOM 1299 NH1 ARG A 85 4.911 -7.079 8.225 1.00 0.00 N ATOM 1300 NH2 ARG A 85 3.813 -5.591 9.584 1.00 0.00 N ATOM 0 H ARG A 85 3.107 -4.578 2.549 1.00 0.00 H new ATOM 0 HA ARG A 85 0.512 -4.574 3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.390 -4.614 4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.199 -4.093 5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.002 -6.204 5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.006 -6.718 4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.779 -7.799 6.341 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.007 -6.684 5.776 1.00 0.00 H new ATOM 0 HE ARG A 85 2.219 -5.414 7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.982 -7.583 7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.616 -7.217 8.949 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.038 -4.948 9.747 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.520 -5.731 10.306 1.00 0.00 H new ATOM 1314 N LYS A 86 0.396 -2.263 4.950 1.00 0.00 N ATOM 1315 CA LYS A 86 0.112 -0.870 5.273 1.00 0.00 C ATOM 1316 C LYS A 86 1.367 -0.159 5.770 1.00 0.00 C ATOM 1317 O LYS A 86 1.526 1.045 5.577 1.00 0.00 O ATOM 1318 CB LYS A 86 -0.989 -0.784 6.333 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.619 -1.449 7.648 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.797 -1.478 8.608 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.414 -2.103 9.941 1.00 0.00 C ATOM 1322 NZ LYS A 86 -1.344 -3.588 9.858 1.00 0.00 N ATOM 0 H LYS A 86 -0.145 -2.939 5.489 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.228 -0.375 4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.222 0.264 6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.895 -1.248 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.277 -2.467 7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.212 -0.914 8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.160 -0.463 8.772 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.617 -2.042 8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.449 -1.711 10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.142 -1.816 10.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.080 -3.976 10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.272 -3.964 9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.631 -3.863 9.153 1.00 0.00 H new ATOM 1336 N GLU A 87 2.256 -0.915 6.408 1.00 0.00 N ATOM 1337 CA GLU A 87 3.497 -0.356 6.931 1.00 0.00 C ATOM 1338 C GLU A 87 4.155 0.563 5.905 1.00 0.00 C ATOM 1339 O GLU A 87 4.851 1.512 6.264 1.00 0.00 O ATOM 1340 CB GLU A 87 4.462 -1.477 7.321 1.00 0.00 C ATOM 1341 CG GLU A 87 4.025 -2.257 8.550 1.00 0.00 C ATOM 1342 CD GLU A 87 4.352 -1.537 9.844 1.00 0.00 C ATOM 1343 OE1 GLU A 87 5.540 -1.510 10.225 1.00 0.00 O ATOM 1344 OE2 GLU A 87 3.417 -1.000 10.475 1.00 0.00 O ATOM 0 H GLU A 87 2.140 -1.915 6.575 1.00 0.00 H new ATOM 0 HA GLU A 87 3.256 0.231 7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.564 -2.165 6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.448 -1.049 7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.951 -2.436 8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.511 -3.233 8.548 1.00 0.00 H new ATOM 1351 N TRP A 88 3.929 0.272 4.629 1.00 0.00 N ATOM 1352 CA TRP A 88 4.500 1.072 3.551 1.00 0.00 C ATOM 1353 C TRP A 88 4.033 2.520 3.641 1.00 0.00 C ATOM 1354 O TRP A 88 4.844 3.446 3.645 1.00 0.00 O ATOM 1355 CB TRP A 88 4.116 0.482 2.193 1.00 0.00 C ATOM 1356 CG TRP A 88 4.820 1.134 1.042 1.00 0.00 C ATOM 1357 CD1 TRP A 88 6.165 1.331 0.910 1.00 0.00 C ATOM 1358 CD2 TRP A 88 4.216 1.675 -0.138 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.433 1.963 -0.281 1.00 0.00 N ATOM 1360 CE2 TRP A 88 5.254 2.184 -0.942 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.899 1.777 -0.593 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 5.014 2.786 -2.174 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.662 2.376 -1.816 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.715 2.873 -2.596 1.00 0.00 C ATOM 0 H TRP A 88 3.355 -0.511 4.316 1.00 0.00 H new ATOM 0 HA TRP A 88 5.585 1.054 3.654 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.342 -0.584 2.191 1.00 0.00 H new ATOM 0 HB3 TRP A 88 3.039 0.580 2.054 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.909 1.034 1.635 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.360 2.225 -0.618 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.081 1.395 -0.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.824 3.171 -2.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.648 2.463 -2.177 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.497 3.333 -3.548 1.00 0.00 H new ATOM 1375 N VAL A 89 2.719 2.710 3.714 1.00 0.00 N ATOM 1376 CA VAL A 89 2.144 4.047 3.805 1.00 0.00 C ATOM 1377 C VAL A 89 2.511 4.714 5.126 1.00 0.00 C ATOM 1378 O VAL A 89 2.995 5.847 5.149 1.00 0.00 O ATOM 1379 CB VAL A 89 0.610 4.008 3.671 1.00 0.00 C ATOM 1380 CG1 VAL A 89 0.019 5.391 3.901 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.208 3.468 2.307 1.00 0.00 C ATOM 0 H VAL A 89 2.033 1.955 3.712 1.00 0.00 H new ATOM 0 HA VAL A 89 2.559 4.627 2.981 1.00 0.00 H new ATOM 0 HB VAL A 89 0.213 3.338 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.066 5.344 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.278 5.735 4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.421 6.086 3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.879 3.447 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.615 4.111 1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.600 2.458 2.186 1.00 0.00 H new ATOM 1391 N LEU A 90 2.278 4.005 6.225 1.00 0.00 N ATOM 1392 CA LEU A 90 2.585 4.528 7.552 1.00 0.00 C ATOM 1393 C LEU A 90 4.018 5.047 7.615 1.00 0.00 C ATOM 1394 O LEU A 90 4.253 6.211 7.940 1.00 0.00 O ATOM 1395 CB LEU A 90 2.377 3.443 8.610 1.00 0.00 C ATOM 1396 CG LEU A 90 1.021 2.737 8.589 1.00 0.00 C ATOM 1397 CD1 LEU A 90 1.031 1.534 9.520 1.00 0.00 C ATOM 1398 CD2 LEU A 90 -0.090 3.703 8.975 1.00 0.00 C ATOM 0 H LEU A 90 1.878 3.067 6.224 1.00 0.00 H new ATOM 0 HA LEU A 90 1.908 5.358 7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.157 2.692 8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.516 3.891 9.594 1.00 0.00 H new ATOM 0 HG LEU A 90 0.832 2.385 7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.058 1.044 9.492 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.800 0.832 9.199 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.242 1.863 10.537 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.048 3.183 8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.093 4.086 9.979 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.113 4.533 8.268 1.00 0.00 H new ATOM 1410 N ASP A 91 4.971 4.178 7.299 1.00 0.00 N ATOM 1411 CA ASP A 91 6.381 4.549 7.317 1.00 0.00 C ATOM 1412 C ASP A 91 6.650 5.705 6.358 1.00 0.00 C ATOM 1413 O ASP A 91 7.135 6.762 6.765 1.00 0.00 O ATOM 1414 CB ASP A 91 7.252 3.348 6.944 1.00 0.00 C ATOM 1415 CG ASP A 91 7.471 2.407 8.112 1.00 0.00 C ATOM 1416 OD1 ASP A 91 6.648 2.426 9.051 1.00 0.00 O ATOM 1417 OD2 ASP A 91 8.465 1.651 8.087 1.00 0.00 O ATOM 0 H ASP A 91 4.793 3.211 7.027 1.00 0.00 H new ATOM 0 HA ASP A 91 6.634 4.871 8.327 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.783 2.803 6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.217 3.702 6.580 1.00 0.00 H new ATOM 1422 N CYS A 92 6.335 5.497 5.085 1.00 0.00 N ATOM 1423 CA CYS A 92 6.544 6.521 4.068 1.00 0.00 C ATOM 1424 C CYS A 92 6.099 7.889 4.574 1.00 0.00 C ATOM 1425 O CYS A 92 6.856 8.851 4.455 1.00 0.00 O ATOM 1426 CB CYS A 92 5.783 6.164 2.791 1.00 0.00 C ATOM 1427 SG CYS A 92 6.516 4.806 1.849 1.00 0.00 S ATOM 0 H CYS A 92 5.934 4.628 4.732 1.00 0.00 H new ATOM 0 HA CYS A 92 7.610 6.565 3.846 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.759 5.898 3.054 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.730 7.047 2.154 1.00 0.00 H new ATOM 0 HG CYS A 92 6.070 3.673 2.303 1.00 0.00 H new ATOM 1433 N HIS A 93 4.893 7.947 5.120 1.00 0.00 N ATOM 1434 CA HIS A 93 4.364 9.198 5.635 1.00 0.00 C ATOM 1435 C HIS A 93 5.292 9.739 6.724 1.00 0.00 C ATOM 1436 O HIS A 93 5.951 10.767 6.569 1.00 0.00 O ATOM 1437 CB HIS A 93 2.923 9.020 6.120 1.00 0.00 C ATOM 1438 CG HIS A 93 2.129 10.303 6.168 1.00 0.00 C ATOM 1439 ND1 HIS A 93 1.658 10.850 7.349 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.728 11.141 5.169 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.004 11.966 7.062 1.00 0.00 C ATOM 1442 NE2 HIS A 93 1.048 12.145 5.711 1.00 0.00 N ATOM 0 H HIS A 93 4.267 7.147 5.217 1.00 0.00 H new ATOM 0 HA HIS A 93 4.329 9.938 4.835 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.414 8.314 5.464 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.938 8.576 7.115 1.00 0.00 H new ATOM 0 HD1 HIS A 93 1.792 10.460 8.282 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.929 11.010 4.116 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.521 12.619 7.773 1.00 0.00 H new ATOM 1450 N ARG A 94 5.331 9.016 7.839 1.00 0.00 N ATOM 1451 CA ARG A 94 6.167 9.401 8.970 1.00 0.00 C ATOM 1452 C ARG A 94 7.528 9.902 8.495 1.00 0.00 C ATOM 1453 O ARG A 94 7.901 11.047 8.748 1.00 0.00 O ATOM 1454 CB ARG A 94 6.352 8.216 9.921 1.00 0.00 C ATOM 1455 CG ARG A 94 7.396 8.458 10.998 1.00 0.00 C ATOM 1456 CD ARG A 94 6.821 9.244 12.166 1.00 0.00 C ATOM 1457 NE ARG A 94 7.828 9.528 13.184 1.00 0.00 N ATOM 1458 CZ ARG A 94 7.623 10.339 14.216 1.00 0.00 C ATOM 1459 NH1 ARG A 94 6.452 10.944 14.364 1.00 0.00 N ATOM 1460 NH2 ARG A 94 8.589 10.547 15.101 1.00 0.00 N ATOM 0 H ARG A 94 4.794 8.161 7.983 1.00 0.00 H new ATOM 0 HA ARG A 94 5.666 10.210 9.501 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.397 7.990 10.396 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.636 7.337 9.342 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.780 7.502 11.355 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.240 9.002 10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.401 10.181 11.800 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.002 8.681 12.614 1.00 0.00 H new ATOM 0 HE ARG A 94 8.740 9.079 13.098 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.707 10.787 13.685 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.296 11.566 15.157 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.491 10.084 14.990 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.430 11.170 15.893 1.00 0.00 H new ATOM 1474 N MET A 95 8.263 9.037 7.804 1.00 0.00 N ATOM 1475 CA MET A 95 9.582 9.392 7.293 1.00 0.00 C ATOM 1476 C MET A 95 9.475 10.463 6.212 1.00 0.00 C ATOM 1477 O MET A 95 10.421 11.213 5.973 1.00 0.00 O ATOM 1478 CB MET A 95 10.286 8.155 6.734 1.00 0.00 C ATOM 1479 CG MET A 95 10.220 6.949 7.656 1.00 0.00 C ATOM 1480 SD MET A 95 11.612 6.873 8.800 1.00 0.00 S ATOM 1481 CE MET A 95 11.733 5.106 9.069 1.00 0.00 C ATOM 0 H MET A 95 7.968 8.086 7.585 1.00 0.00 H new ATOM 0 HA MET A 95 10.169 9.792 8.120 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.837 7.894 5.775 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.331 8.398 6.541 1.00 0.00 H new ATOM 0 HG2 MET A 95 9.290 6.981 8.223 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.197 6.039 7.057 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.552 4.898 9.758 1.00 0.00 H new ATOM 0 HE2 MET A 95 10.799 4.738 9.494 1.00 0.00 H new ATOM 0 HE3 MET A 95 11.922 4.605 8.119 1.00 0.00 H new ATOM 1491 N ARG A 96 8.318 10.528 5.562 1.00 0.00 N ATOM 1492 CA ARG A 96 8.089 11.507 4.506 1.00 0.00 C ATOM 1493 C ARG A 96 9.051 11.286 3.342 1.00 0.00 C ATOM 1494 O ARG A 96 9.471 12.236 2.682 1.00 0.00 O ATOM 1495 CB ARG A 96 8.250 12.926 5.052 1.00 0.00 C ATOM 1496 CG ARG A 96 7.161 13.329 6.034 1.00 0.00 C ATOM 1497 CD ARG A 96 7.394 14.728 6.581 1.00 0.00 C ATOM 1498 NE ARG A 96 8.275 14.721 7.746 1.00 0.00 N ATOM 1499 CZ ARG A 96 8.578 15.809 8.445 1.00 0.00 C ATOM 1500 NH1 ARG A 96 8.074 16.985 8.099 1.00 0.00 N ATOM 1501 NH2 ARG A 96 9.387 15.721 9.493 1.00 0.00 N ATOM 0 H ARG A 96 7.525 9.915 5.748 1.00 0.00 H new ATOM 0 HA ARG A 96 7.070 11.379 4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.219 13.009 5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 96 8.254 13.628 4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.190 13.287 5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.130 12.616 6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.829 15.354 5.802 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.438 15.175 6.853 1.00 0.00 H new ATOM 0 HE ARG A 96 8.680 13.832 8.039 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.452 17.056 7.294 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.308 17.819 8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.777 14.818 9.762 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.619 16.557 10.029 1.00 0.00 H new ATOM 1515 N ARG A 97 9.396 10.026 3.098 1.00 0.00 N ATOM 1516 CA ARG A 97 10.310 9.680 2.016 1.00 0.00 C ATOM 1517 C ARG A 97 9.728 8.568 1.147 1.00 0.00 C ATOM 1518 O ARG A 97 8.656 8.038 1.437 1.00 0.00 O ATOM 1519 CB ARG A 97 11.663 9.245 2.581 1.00 0.00 C ATOM 1520 CG ARG A 97 11.584 8.015 3.471 1.00 0.00 C ATOM 1521 CD ARG A 97 12.675 8.022 4.530 1.00 0.00 C ATOM 1522 NE ARG A 97 12.820 9.333 5.157 1.00 0.00 N ATOM 1523 CZ ARG A 97 13.927 9.736 5.771 1.00 0.00 C ATOM 1524 NH1 ARG A 97 14.980 8.933 5.839 1.00 0.00 N ATOM 1525 NH2 ARG A 97 13.983 10.944 6.317 1.00 0.00 N ATOM 0 H ARG A 97 9.056 9.228 3.635 1.00 0.00 H new ATOM 0 HA ARG A 97 10.451 10.566 1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.344 9.042 1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.091 10.069 3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.607 7.976 3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.674 7.117 2.860 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.444 7.279 5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.622 7.730 4.077 1.00 0.00 H new ATOM 0 HE ARG A 97 12.028 9.974 5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.941 8.004 5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.829 9.244 6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.175 11.565 6.266 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.834 11.252 6.788 1.00 0.00 H new ATOM 1539 N ARG A 98 10.442 8.222 0.081 1.00 0.00 N ATOM 1540 CA ARG A 98 9.996 7.175 -0.830 1.00 0.00 C ATOM 1541 C ARG A 98 10.675 5.847 -0.506 1.00 0.00 C ATOM 1542 O ARG A 98 11.730 5.527 -1.055 1.00 0.00 O ATOM 1543 CB ARG A 98 10.290 7.571 -2.278 1.00 0.00 C ATOM 1544 CG ARG A 98 9.920 6.498 -3.290 1.00 0.00 C ATOM 1545 CD ARG A 98 9.943 7.041 -4.710 1.00 0.00 C ATOM 1546 NE ARG A 98 10.136 5.982 -5.697 1.00 0.00 N ATOM 1547 CZ ARG A 98 11.272 5.308 -5.839 1.00 0.00 C ATOM 1548 NH1 ARG A 98 12.311 5.581 -5.062 1.00 0.00 N ATOM 1549 NH2 ARG A 98 11.371 4.359 -6.761 1.00 0.00 N ATOM 0 H ARG A 98 11.332 8.651 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 98 8.920 7.053 -0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.744 8.485 -2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.351 7.800 -2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.615 5.663 -3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.927 6.110 -3.064 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.007 7.561 -4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.743 7.775 -4.805 1.00 0.00 H new ATOM 0 HE ARG A 98 9.356 5.747 -6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.240 6.310 -4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.182 5.062 -5.174 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.574 4.146 -7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.244 3.842 -6.869 1.00 0.00 H new ATOM 1563 N LEU A 99 10.063 5.079 0.388 1.00 0.00 N ATOM 1564 CA LEU A 99 10.608 3.785 0.786 1.00 0.00 C ATOM 1565 C LEU A 99 10.244 2.706 -0.229 1.00 0.00 C ATOM 1566 O LEU A 99 9.195 2.752 -0.871 1.00 0.00 O ATOM 1567 CB LEU A 99 10.089 3.395 2.171 1.00 0.00 C ATOM 1568 CG LEU A 99 10.291 4.429 3.279 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.413 4.105 4.478 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.755 4.491 3.689 1.00 0.00 C ATOM 0 H LEU A 99 9.189 5.329 0.851 1.00 0.00 H new ATOM 0 HA LEU A 99 11.694 3.871 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.023 3.182 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.578 2.469 2.473 1.00 0.00 H new ATOM 0 HG LEU A 99 10.000 5.407 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.570 4.852 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.366 4.112 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.673 3.119 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.881 5.232 4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.072 3.514 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.362 4.771 2.828 1.00 0.00 H new ATOM 1582 N PRO A 100 11.130 1.710 -0.377 1.00 0.00 N ATOM 1583 CA PRO A 100 10.923 0.598 -1.310 1.00 0.00 C ATOM 1584 C PRO A 100 9.802 -0.333 -0.862 1.00 0.00 C ATOM 1585 O PRO A 100 9.854 -0.902 0.229 1.00 0.00 O ATOM 1586 CB PRO A 100 12.267 -0.134 -1.293 1.00 0.00 C ATOM 1587 CG PRO A 100 12.862 0.197 0.032 1.00 0.00 C ATOM 1588 CD PRO A 100 12.402 1.592 0.356 1.00 0.00 C ATOM 0 HA PRO A 100 10.625 0.945 -2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.133 -1.210 -1.409 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.909 0.198 -2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.534 -0.509 0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.950 0.144 -0.005 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.262 1.730 1.428 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.125 2.340 0.030 1.00 0.00 H new ATOM 1596 N SER A 101 8.790 -0.486 -1.710 1.00 0.00 N ATOM 1597 CA SER A 101 7.655 -1.346 -1.399 1.00 0.00 C ATOM 1598 C SER A 101 8.020 -2.816 -1.587 1.00 0.00 C ATOM 1599 O SER A 101 7.397 -3.700 -1.001 1.00 0.00 O ATOM 1600 CB SER A 101 6.460 -0.989 -2.285 1.00 0.00 C ATOM 1601 OG SER A 101 6.822 -0.988 -3.655 1.00 0.00 O ATOM 0 H SER A 101 8.733 -0.025 -2.618 1.00 0.00 H new ATOM 0 HA SER A 101 7.385 -1.187 -0.355 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.654 -1.704 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.077 -0.007 -2.006 1.00 0.00 H new ATOM 0 HG SER A 101 6.040 -0.759 -4.200 1.00 0.00 H new ATOM 1607 N GLN A 102 9.035 -3.067 -2.408 1.00 0.00 N ATOM 1608 CA GLN A 102 9.483 -4.429 -2.674 1.00 0.00 C ATOM 1609 C GLN A 102 9.820 -5.154 -1.376 1.00 0.00 C ATOM 1610 O GLN A 102 9.644 -6.367 -1.267 1.00 0.00 O ATOM 1611 CB GLN A 102 10.702 -4.416 -3.597 1.00 0.00 C ATOM 1612 CG GLN A 102 10.399 -3.913 -5.000 1.00 0.00 C ATOM 1613 CD GLN A 102 11.605 -3.977 -5.916 1.00 0.00 C ATOM 1614 OE1 GLN A 102 11.560 -4.600 -6.978 1.00 0.00 O ATOM 1615 NE2 GLN A 102 12.692 -3.332 -5.510 1.00 0.00 N ATOM 0 H GLN A 102 9.562 -2.346 -2.900 1.00 0.00 H new ATOM 0 HA GLN A 102 8.670 -4.963 -3.166 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.476 -3.788 -3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.109 -5.425 -3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.591 -4.506 -5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.044 -2.884 -4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.685 -2.829 -4.623 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.534 -3.340 -6.085 1.00 0.00 H new ATOM 1624 N ARG A 103 10.307 -4.403 -0.394 1.00 0.00 N ATOM 1625 CA ARG A 103 10.671 -4.975 0.897 1.00 0.00 C ATOM 1626 C ARG A 103 9.427 -5.287 1.724 1.00 0.00 C ATOM 1627 O ARG A 103 9.490 -6.034 2.700 1.00 0.00 O ATOM 1628 CB ARG A 103 11.580 -4.014 1.666 1.00 0.00 C ATOM 1629 CG ARG A 103 13.056 -4.186 1.349 1.00 0.00 C ATOM 1630 CD ARG A 103 13.916 -3.234 2.165 1.00 0.00 C ATOM 1631 NE ARG A 103 14.104 -3.703 3.535 1.00 0.00 N ATOM 1632 CZ ARG A 103 14.610 -2.951 4.506 1.00 0.00 C ATOM 1633 NH1 ARG A 103 14.977 -1.701 4.259 1.00 0.00 N ATOM 1634 NH2 ARG A 103 14.750 -3.450 5.728 1.00 0.00 N ATOM 0 H ARG A 103 10.459 -3.397 -0.467 1.00 0.00 H new ATOM 0 HA ARG A 103 11.208 -5.906 0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.286 -2.989 1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.427 -4.160 2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.356 -5.214 1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.224 -4.010 0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.888 -3.121 1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.451 -2.248 2.180 1.00 0.00 H new ATOM 0 HE ARG A 103 13.832 -4.660 3.759 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.871 -1.314 3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.365 -1.126 5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.469 -4.411 5.922 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.139 -2.872 6.473 1.00 0.00 H new ATOM 1648 N TYR A 104 8.299 -4.710 1.326 1.00 0.00 N ATOM 1649 CA TYR A 104 7.041 -4.925 2.031 1.00 0.00 C ATOM 1650 C TYR A 104 6.076 -5.750 1.185 1.00 0.00 C ATOM 1651 O TYR A 104 4.858 -5.602 1.289 1.00 0.00 O ATOM 1652 CB TYR A 104 6.400 -3.584 2.393 1.00 0.00 C ATOM 1653 CG TYR A 104 7.279 -2.705 3.254 1.00 0.00 C ATOM 1654 CD1 TYR A 104 7.233 -2.789 4.640 1.00 0.00 C ATOM 1655 CD2 TYR A 104 8.156 -1.792 2.682 1.00 0.00 C ATOM 1656 CE1 TYR A 104 8.034 -1.988 5.431 1.00 0.00 C ATOM 1657 CE2 TYR A 104 8.962 -0.988 3.465 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.897 -1.089 4.839 1.00 0.00 C ATOM 1659 OH TYR A 104 9.697 -0.290 5.623 1.00 0.00 O ATOM 0 H TYR A 104 8.230 -4.090 0.519 1.00 0.00 H new ATOM 0 HA TYR A 104 7.256 -5.477 2.946 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.153 -3.049 1.476 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.462 -3.769 2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 104 6.560 -3.492 5.107 1.00 0.00 H new ATOM 0 HD2 TYR A 104 8.209 -1.709 1.606 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.985 -2.065 6.507 1.00 0.00 H new ATOM 0 HE2 TYR A 104 9.639 -0.284 3.004 1.00 0.00 H new ATOM 0 HH TYR A 104 10.246 0.285 5.050 1.00 0.00 H new ATOM 1669 N LEU A 105 6.630 -6.622 0.350 1.00 0.00 N ATOM 1670 CA LEU A 105 5.820 -7.474 -0.515 1.00 0.00 C ATOM 1671 C LEU A 105 5.391 -8.741 0.217 1.00 0.00 C ATOM 1672 O LEU A 105 6.228 -9.517 0.678 1.00 0.00 O ATOM 1673 CB LEU A 105 6.600 -7.840 -1.778 1.00 0.00 C ATOM 1674 CG LEU A 105 6.557 -6.817 -2.914 1.00 0.00 C ATOM 1675 CD1 LEU A 105 7.664 -7.090 -3.920 1.00 0.00 C ATOM 1676 CD2 LEU A 105 5.197 -6.834 -3.597 1.00 0.00 C ATOM 0 H LEU A 105 7.636 -6.758 0.253 1.00 0.00 H new ATOM 0 HA LEU A 105 4.925 -6.919 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.642 -8.004 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.217 -8.788 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 105 6.716 -5.825 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.618 -6.352 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.632 -7.025 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.537 -8.088 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.185 -6.100 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.008 -7.826 -4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.422 -6.588 -2.871 1.00 0.00 H new ATOM 1688 N MET A 106 4.081 -8.945 0.319 1.00 0.00 N ATOM 1689 CA MET A 106 3.542 -10.121 0.992 1.00 0.00 C ATOM 1690 C MET A 106 3.436 -11.298 0.028 1.00 0.00 C ATOM 1691 O MET A 106 3.926 -12.391 0.313 1.00 0.00 O ATOM 1692 CB MET A 106 2.167 -9.808 1.586 1.00 0.00 C ATOM 1693 CG MET A 106 2.228 -9.246 2.997 1.00 0.00 C ATOM 1694 SD MET A 106 0.776 -9.672 3.978 1.00 0.00 S ATOM 1695 CE MET A 106 -0.363 -8.386 3.472 1.00 0.00 C ATOM 0 H MET A 106 3.374 -8.312 -0.055 1.00 0.00 H new ATOM 0 HA MET A 106 4.225 -10.394 1.797 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.656 -9.093 0.941 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.567 -10.718 1.592 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.121 -9.622 3.495 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.323 -8.161 2.948 1.00 0.00 H new ATOM 0 HE1 MET A 106 -0.999 -8.112 4.314 1.00 0.00 H new ATOM 0 HE2 MET A 106 0.198 -7.512 3.141 1.00 0.00 H new ATOM 0 HE3 MET A 106 -0.983 -8.750 2.653 1.00 0.00 H new