USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 569 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= -0.0184 (180deg=-0.167) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.17) USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.25) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00977 USER MOD Single : A 26 GLN : amide:sc= -0.743 K(o=-0.74,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-2.4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 97:sc= 0.755 USER MOD Single : A 35 CYS SG : rot -2:sc= -1.65 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= 1.31 (180deg=1.16) USER MOD Single : A 42 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.8!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0.068) USER MOD Single : A 51 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.2!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00256 USER MOD Single : A 60 ASN : amide:sc= 1.1 K(o=1.1,f=-3.1!) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 1.56 (180deg=1.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -60:sc= -0.813 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 90:sc= -2.3! USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= 0.897 (180deg=0.684) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -7.039 -2.757 8.762 1.00 0.00 N ATOM 245 CA GLU A 14 -6.840 -4.063 8.189 1.00 0.00 C ATOM 246 C GLU A 14 -5.430 -4.276 7.698 1.00 0.00 C ATOM 247 O GLU A 14 -4.890 -5.354 7.860 1.00 0.00 O ATOM 248 CB GLU A 14 -7.815 -4.288 7.041 1.00 0.00 C ATOM 249 CG GLU A 14 -9.171 -4.762 7.479 1.00 0.00 C ATOM 250 CD GLU A 14 -9.094 -6.154 8.037 1.00 0.00 C ATOM 251 OE1 GLU A 14 -8.841 -6.313 9.244 1.00 0.00 O ATOM 252 OE2 GLU A 14 -9.254 -7.122 7.259 1.00 0.00 O ATOM 0 HA GLU A 14 -7.023 -4.785 8.985 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.928 -3.357 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.390 -5.019 6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.572 -4.085 8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.859 -4.742 6.634 1.00 0.00 H new ATOM 259 N ILE A 15 -4.802 -3.227 7.183 1.00 0.00 N ATOM 260 CA ILE A 15 -3.511 -3.372 6.564 1.00 0.00 C ATOM 261 C ILE A 15 -2.468 -3.628 7.604 1.00 0.00 C ATOM 262 O ILE A 15 -1.542 -4.425 7.394 1.00 0.00 O ATOM 263 CB ILE A 15 -3.134 -2.152 5.626 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.697 -0.874 6.393 1.00 0.00 C ATOM 265 CG2 ILE A 15 -4.299 -1.826 4.706 1.00 0.00 C ATOM 266 CD1 ILE A 15 -1.211 -0.789 6.710 1.00 0.00 C ATOM 0 H ILE A 15 -5.171 -2.276 7.186 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.559 -4.238 5.903 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.266 -2.473 5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.978 -0.001 5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.256 -0.821 7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.032 -0.986 4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.530 -2.695 4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.172 -1.563 5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.006 0.138 7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.922 -1.638 7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.639 -0.806 5.782 1.00 0.00 H new ATOM 278 N LYS A 16 -2.662 -3.023 8.764 1.00 0.00 N ATOM 279 CA LYS A 16 -1.696 -3.137 9.800 1.00 0.00 C ATOM 280 C LYS A 16 -1.707 -4.466 10.482 1.00 0.00 C ATOM 281 O LYS A 16 -0.667 -4.946 10.926 1.00 0.00 O ATOM 282 CB LYS A 16 -1.689 -1.982 10.801 1.00 0.00 C ATOM 283 CG LYS A 16 -1.055 -0.697 10.298 1.00 0.00 C ATOM 284 CD LYS A 16 -2.061 0.424 10.131 1.00 0.00 C ATOM 285 CE LYS A 16 -1.353 1.731 9.796 1.00 0.00 C ATOM 286 NZ LYS A 16 -2.268 2.883 9.830 1.00 0.00 N ATOM 0 H LYS A 16 -3.478 -2.456 8.994 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.747 -3.062 9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.717 -1.771 11.095 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.160 -2.303 11.698 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.279 -0.382 10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.567 -0.887 9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.767 0.172 9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.639 0.541 11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.540 1.894 10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.903 1.655 8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.743 3.750 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.030 2.742 9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.678 2.973 10.782 1.00 0.00 H new ATOM 300 N LYS A 17 -2.850 -5.073 10.547 1.00 0.00 N ATOM 301 CA LYS A 17 -2.954 -6.344 11.198 1.00 0.00 C ATOM 302 C LYS A 17 -2.724 -7.471 10.187 1.00 0.00 C ATOM 303 O LYS A 17 -2.366 -8.593 10.558 1.00 0.00 O ATOM 304 CB LYS A 17 -4.316 -6.463 11.898 1.00 0.00 C ATOM 305 CG LYS A 17 -4.466 -7.701 12.770 1.00 0.00 C ATOM 306 CD LYS A 17 -5.759 -7.682 13.578 1.00 0.00 C ATOM 307 CE LYS A 17 -5.813 -6.510 14.561 1.00 0.00 C ATOM 308 NZ LYS A 17 -4.680 -6.518 15.520 1.00 0.00 N ATOM 0 H LYS A 17 -3.722 -4.712 10.160 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.183 -6.430 11.964 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.473 -5.578 12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.101 -6.468 11.142 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.445 -8.591 12.141 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.616 -7.771 13.449 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.609 -7.622 12.898 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.855 -8.619 14.127 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.807 -5.573 14.004 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.752 -6.546 15.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.858 -5.824 16.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.585 -7.466 15.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.802 -6.270 15.022 1.00 0.00 H new ATOM 322 N LYS A 18 -2.879 -7.146 8.911 1.00 0.00 N ATOM 323 CA LYS A 18 -2.751 -8.127 7.848 1.00 0.00 C ATOM 324 C LYS A 18 -1.288 -8.441 7.566 1.00 0.00 C ATOM 325 O LYS A 18 -0.872 -9.582 7.683 1.00 0.00 O ATOM 326 CB LYS A 18 -3.392 -7.619 6.575 1.00 0.00 C ATOM 327 CG LYS A 18 -3.802 -8.702 5.595 1.00 0.00 C ATOM 328 CD LYS A 18 -5.088 -9.400 6.040 1.00 0.00 C ATOM 329 CE LYS A 18 -6.237 -8.396 6.143 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.530 -9.031 6.475 1.00 0.00 N ATOM 0 H LYS A 18 -3.095 -6.203 8.588 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.257 -9.034 8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.273 -7.033 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.696 -6.943 6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.947 -8.265 4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.001 -9.435 5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.347 -10.185 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.931 -9.882 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.997 -7.654 6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.332 -7.863 5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.248 -8.295 6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.828 -9.644 5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.425 -9.601 7.338 1.00 0.00 H new ATOM 344 N PHE A 19 -0.496 -7.418 7.203 1.00 0.00 N ATOM 345 CA PHE A 19 0.909 -7.653 6.883 1.00 0.00 C ATOM 346 C PHE A 19 1.669 -7.726 8.199 1.00 0.00 C ATOM 347 O PHE A 19 2.715 -8.361 8.298 1.00 0.00 O ATOM 348 CB PHE A 19 1.451 -6.512 5.985 1.00 0.00 C ATOM 349 CG PHE A 19 2.735 -6.817 5.227 1.00 0.00 C ATOM 350 CD1 PHE A 19 3.967 -6.601 5.805 1.00 0.00 C ATOM 351 CD2 PHE A 19 2.699 -7.279 3.917 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.134 -6.841 5.108 1.00 0.00 C ATOM 353 CE2 PHE A 19 3.873 -7.505 3.216 1.00 0.00 C ATOM 354 CZ PHE A 19 5.095 -7.281 3.821 1.00 0.00 C ATOM 0 H PHE A 19 -0.800 -6.447 7.127 1.00 0.00 H new ATOM 0 HA PHE A 19 1.033 -8.584 6.330 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.679 -6.247 5.262 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.620 -5.634 6.608 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.020 -6.238 6.821 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.747 -7.464 3.441 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.087 -6.678 5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.833 -7.857 2.196 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.012 -7.454 3.277 1.00 0.00 H new ATOM 364 N LYS A 20 1.056 -7.112 9.218 1.00 0.00 N ATOM 365 CA LYS A 20 1.561 -7.023 10.578 1.00 0.00 C ATOM 366 C LYS A 20 2.753 -6.106 10.623 1.00 0.00 C ATOM 367 O LYS A 20 3.893 -6.487 10.360 1.00 0.00 O ATOM 368 CB LYS A 20 1.791 -8.430 11.221 1.00 0.00 C ATOM 369 CG LYS A 20 2.136 -8.482 12.733 1.00 0.00 C ATOM 370 CD LYS A 20 3.581 -8.088 13.062 1.00 0.00 C ATOM 371 CE LYS A 20 4.575 -8.974 12.324 1.00 0.00 C ATOM 372 NZ LYS A 20 5.975 -8.696 12.702 1.00 0.00 N ATOM 0 H LYS A 20 0.156 -6.646 9.104 1.00 0.00 H new ATOM 0 HA LYS A 20 0.800 -6.571 11.214 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.891 -9.023 11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.597 -8.921 10.676 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.459 -7.819 13.272 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.954 -9.492 13.101 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.747 -7.046 12.790 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.747 -8.168 14.136 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.348 -10.020 12.532 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.457 -8.829 11.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.612 -9.290 12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.189 -7.693 12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.111 -8.908 13.711 1.00 0.00 H new ATOM 386 N LEU A 21 2.469 -4.866 10.862 1.00 0.00 N ATOM 387 CA LEU A 21 3.504 -3.889 10.945 1.00 0.00 C ATOM 388 C LEU A 21 3.785 -3.653 12.351 1.00 0.00 C ATOM 389 O LEU A 21 4.864 -3.971 12.850 1.00 0.00 O ATOM 390 CB LEU A 21 3.145 -2.582 10.285 1.00 0.00 C ATOM 391 CG LEU A 21 2.781 -2.631 8.756 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.667 -3.604 8.028 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.314 -2.977 8.469 1.00 0.00 C ATOM 0 H LEU A 21 1.525 -4.506 11.003 1.00 0.00 H new ATOM 0 HA LEU A 21 4.373 -4.277 10.413 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.299 -2.153 10.821 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.983 -1.897 10.412 1.00 0.00 H new ATOM 0 HG LEU A 21 2.944 -1.616 8.393 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.398 -3.622 6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.708 -3.297 8.132 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.539 -4.600 8.452 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.147 -2.990 7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.084 -3.958 8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.667 -2.229 8.927 1.00 0.00 H new ATOM 405 N THR A 22 2.800 -3.071 12.980 1.00 0.00 N ATOM 406 CA THR A 22 2.763 -2.886 14.371 1.00 0.00 C ATOM 407 C THR A 22 3.930 -2.005 14.859 1.00 0.00 C ATOM 408 O THR A 22 4.744 -2.410 15.711 1.00 0.00 O ATOM 409 CB THR A 22 2.792 -4.250 15.032 1.00 0.00 C ATOM 410 OG1 THR A 22 1.974 -5.170 14.263 1.00 0.00 O ATOM 411 CG2 THR A 22 2.204 -4.116 16.355 1.00 0.00 C ATOM 0 H THR A 22 1.977 -2.705 12.501 1.00 0.00 H new ATOM 0 HA THR A 22 1.847 -2.361 14.643 1.00 0.00 H new ATOM 0 HB THR A 22 3.815 -4.621 15.090 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.991 -6.054 14.685 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.211 -5.084 16.856 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.782 -3.401 16.940 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.177 -3.763 16.263 1.00 0.00 H new ATOM 459 N GLN A 26 8.487 2.898 7.445 1.00 0.00 N ATOM 460 CA GLN A 26 8.844 4.017 6.615 1.00 0.00 C ATOM 461 C GLN A 26 8.781 3.585 5.176 1.00 0.00 C ATOM 462 O GLN A 26 8.629 2.391 4.901 1.00 0.00 O ATOM 463 CB GLN A 26 10.275 4.487 6.936 1.00 0.00 C ATOM 464 CG GLN A 26 11.367 3.533 6.454 1.00 0.00 C ATOM 465 CD GLN A 26 12.780 3.966 6.818 1.00 0.00 C ATOM 466 OE1 GLN A 26 13.675 3.130 6.978 1.00 0.00 O ATOM 467 NE2 GLN A 26 12.999 5.245 6.973 1.00 0.00 N ATOM 0 HA GLN A 26 8.153 4.839 6.800 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.435 5.465 6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.370 4.617 8.014 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.182 2.545 6.875 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.297 3.436 5.371 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.241 5.913 6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.928 5.575 7.233 1.00 0.00 H new ATOM 476 N VAL A 27 8.891 4.525 4.265 1.00 0.00 N ATOM 477 CA VAL A 27 8.995 4.186 2.883 1.00 0.00 C ATOM 478 C VAL A 27 10.394 3.778 2.629 1.00 0.00 C ATOM 479 O VAL A 27 11.349 4.484 2.981 1.00 0.00 O ATOM 480 CB VAL A 27 8.614 5.336 1.928 1.00 0.00 C ATOM 481 CG1 VAL A 27 9.004 5.024 0.496 1.00 0.00 C ATOM 482 CG2 VAL A 27 7.154 5.569 1.972 1.00 0.00 C ATOM 0 H VAL A 27 8.910 5.525 4.465 1.00 0.00 H new ATOM 0 HA VAL A 27 8.285 3.384 2.681 1.00 0.00 H new ATOM 0 HB VAL A 27 9.154 6.223 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.720 5.856 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.082 4.871 0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.491 4.120 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.895 6.383 1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.632 4.662 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.858 5.834 2.987 1.00 0.00 H new ATOM 492 N ILE A 28 10.516 2.664 2.070 1.00 0.00 N ATOM 493 CA ILE A 28 11.775 2.113 1.772 1.00 0.00 C ATOM 494 C ILE A 28 12.186 2.554 0.385 1.00 0.00 C ATOM 495 O ILE A 28 13.336 2.884 0.152 1.00 0.00 O ATOM 496 CB ILE A 28 11.730 0.566 1.831 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.176 0.078 3.186 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.104 -0.014 1.583 1.00 0.00 C ATOM 499 CD1 ILE A 28 11.985 0.508 4.395 1.00 0.00 C ATOM 0 H ILE A 28 9.727 2.080 1.792 1.00 0.00 H new ATOM 0 HA ILE A 28 12.497 2.462 2.510 1.00 0.00 H new ATOM 0 HB ILE A 28 11.058 0.219 1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.156 0.445 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.123 -1.011 3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.053 -1.102 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.456 0.292 0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 28 13.795 0.349 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.520 0.119 5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.999 0.118 4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.018 1.596 4.443 1.00 0.00 H new ATOM 511 N HIS A 29 11.212 2.631 -0.519 1.00 0.00 N ATOM 512 CA HIS A 29 11.471 2.898 -1.950 1.00 0.00 C ATOM 513 C HIS A 29 10.166 3.185 -2.612 1.00 0.00 C ATOM 514 O HIS A 29 9.110 2.974 -2.013 1.00 0.00 O ATOM 515 CB HIS A 29 12.070 1.654 -2.698 1.00 0.00 C ATOM 516 CG HIS A 29 13.476 1.244 -2.341 1.00 0.00 C ATOM 517 ND1 HIS A 29 13.801 0.012 -1.793 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.643 1.902 -2.461 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.099 -0.046 -1.593 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.628 1.083 -1.991 1.00 0.00 N ATOM 0 H HIS A 29 10.225 2.512 -0.292 1.00 0.00 H new ATOM 0 HA HIS A 29 12.180 3.725 -2.000 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.414 0.803 -2.516 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.039 1.857 -3.768 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.776 2.898 -2.857 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.637 -0.883 -1.172 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.621 1.314 -1.955 1.00 0.00 H new ATOM 529 N LEU A 30 10.213 3.624 -3.826 1.00 0.00 N ATOM 530 CA LEU A 30 9.019 3.777 -4.597 1.00 0.00 C ATOM 531 C LEU A 30 9.030 2.763 -5.691 1.00 0.00 C ATOM 532 O LEU A 30 10.000 2.605 -6.381 1.00 0.00 O ATOM 533 CB LEU A 30 8.804 5.192 -5.172 1.00 0.00 C ATOM 534 CG LEU A 30 8.372 6.293 -4.188 1.00 0.00 C ATOM 535 CD1 LEU A 30 9.484 6.670 -3.226 1.00 0.00 C ATOM 536 CD2 LEU A 30 7.862 7.508 -4.937 1.00 0.00 C ATOM 0 H LEU A 30 11.072 3.886 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 30 8.179 3.621 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.733 5.509 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.051 5.127 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 30 7.557 5.891 -3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.132 7.450 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.777 5.794 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.343 7.037 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.561 8.275 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.652 7.898 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.005 7.225 -5.548 1.00 0.00 H new ATOM 548 N ALA A 31 7.999 2.039 -5.772 1.00 0.00 N ATOM 549 CA ALA A 31 7.846 1.040 -6.786 1.00 0.00 C ATOM 550 C ALA A 31 6.965 1.540 -7.908 1.00 0.00 C ATOM 551 O ALA A 31 6.215 2.480 -7.759 1.00 0.00 O ATOM 552 CB ALA A 31 7.286 -0.250 -6.204 1.00 0.00 C ATOM 0 H ALA A 31 7.208 2.108 -5.132 1.00 0.00 H new ATOM 0 HA ALA A 31 8.834 0.828 -7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.180 -0.991 -6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.965 -0.630 -5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.311 -0.055 -5.758 1.00 0.00 H new ATOM 558 N LYS A 32 7.084 0.924 -9.014 1.00 0.00 N ATOM 559 CA LYS A 32 6.285 1.214 -10.154 1.00 0.00 C ATOM 560 C LYS A 32 5.317 0.090 -10.304 1.00 0.00 C ATOM 561 O LYS A 32 5.712 -1.076 -10.195 1.00 0.00 O ATOM 562 CB LYS A 32 7.161 1.275 -11.404 1.00 0.00 C ATOM 563 CG LYS A 32 6.403 1.596 -12.691 1.00 0.00 C ATOM 564 CD LYS A 32 7.278 1.397 -13.921 1.00 0.00 C ATOM 565 CE LYS A 32 8.538 2.240 -13.863 1.00 0.00 C ATOM 566 NZ LYS A 32 9.400 2.012 -15.031 1.00 0.00 N ATOM 0 H LYS A 32 7.761 0.176 -9.167 1.00 0.00 H new ATOM 0 HA LYS A 32 5.778 2.171 -10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.934 2.029 -11.255 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.668 0.318 -11.525 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.522 0.959 -12.764 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.049 2.626 -12.658 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.549 0.345 -14.007 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.710 1.654 -14.815 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.268 3.295 -13.811 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.090 2.007 -12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.251 2.605 -14.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.678 1.011 -15.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.882 2.259 -15.898 1.00 0.00 H new ATOM 580 N ALA A 33 4.058 0.414 -10.478 1.00 0.00 N ATOM 581 CA ALA A 33 3.091 -0.583 -10.817 1.00 0.00 C ATOM 582 C ALA A 33 3.462 -1.119 -12.187 1.00 0.00 C ATOM 583 O ALA A 33 3.335 -0.421 -13.187 1.00 0.00 O ATOM 584 CB ALA A 33 1.702 0.023 -10.850 1.00 0.00 C ATOM 0 H ALA A 33 3.687 1.360 -10.389 1.00 0.00 H new ATOM 0 HA ALA A 33 3.086 -1.383 -10.077 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.975 -0.747 -11.109 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.461 0.434 -9.870 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.670 0.818 -11.595 1.00 0.00 H new ATOM 590 N CYS A 34 3.972 -2.312 -12.208 1.00 0.00 N ATOM 591 CA CYS A 34 4.439 -2.959 -13.415 1.00 0.00 C ATOM 592 C CYS A 34 3.288 -3.759 -14.005 1.00 0.00 C ATOM 593 O CYS A 34 3.371 -4.320 -15.101 1.00 0.00 O ATOM 594 CB CYS A 34 5.616 -3.883 -13.045 1.00 0.00 C ATOM 595 SG CYS A 34 6.470 -4.678 -14.425 1.00 0.00 S ATOM 0 H CYS A 34 4.082 -2.884 -11.371 1.00 0.00 H new ATOM 0 HA CYS A 34 4.778 -2.231 -14.152 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.345 -3.301 -12.481 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.244 -4.661 -12.378 1.00 0.00 H new ATOM 0 HG CYS A 34 7.531 -3.992 -14.732 1.00 0.00 H new ATOM 601 N CYS A 35 2.214 -3.793 -13.272 1.00 0.00 N ATOM 602 CA CYS A 35 1.044 -4.519 -13.632 1.00 0.00 C ATOM 603 C CYS A 35 -0.168 -3.777 -13.114 1.00 0.00 C ATOM 604 O CYS A 35 -0.084 -3.073 -12.115 1.00 0.00 O ATOM 605 CB CYS A 35 1.075 -5.931 -13.021 1.00 0.00 C ATOM 606 SG CYS A 35 2.491 -6.940 -13.524 1.00 0.00 S ATOM 0 H CYS A 35 2.131 -3.300 -12.383 1.00 0.00 H new ATOM 0 HA CYS A 35 0.999 -4.610 -14.717 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.077 -5.842 -11.935 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.158 -6.452 -13.297 1.00 0.00 H new ATOM 0 HG CYS A 35 3.215 -6.277 -14.376 1.00 0.00 H new ATOM 612 N ASP A 36 -1.237 -3.872 -13.835 1.00 0.00 N ATOM 613 CA ASP A 36 -2.518 -3.334 -13.422 1.00 0.00 C ATOM 614 C ASP A 36 -3.308 -4.428 -12.709 1.00 0.00 C ATOM 615 O ASP A 36 -3.761 -5.392 -13.321 1.00 0.00 O ATOM 616 CB ASP A 36 -3.315 -2.752 -14.626 1.00 0.00 C ATOM 617 CG ASP A 36 -3.702 -3.766 -15.707 1.00 0.00 C ATOM 618 OD1 ASP A 36 -2.843 -4.133 -16.552 1.00 0.00 O ATOM 619 OD2 ASP A 36 -4.884 -4.175 -15.762 1.00 0.00 O ATOM 0 H ASP A 36 -1.258 -4.331 -14.745 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.349 -2.505 -12.735 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.224 -2.285 -14.247 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.720 -1.964 -15.087 1.00 0.00 H new ATOM 624 N VAL A 37 -3.359 -4.348 -11.417 1.00 0.00 N ATOM 625 CA VAL A 37 -4.074 -5.332 -10.625 1.00 0.00 C ATOM 626 C VAL A 37 -5.273 -4.674 -9.921 1.00 0.00 C ATOM 627 O VAL A 37 -5.278 -3.454 -9.709 1.00 0.00 O ATOM 628 CB VAL A 37 -3.126 -6.011 -9.601 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.700 -5.052 -8.547 1.00 0.00 C ATOM 630 CG2 VAL A 37 -3.739 -7.241 -8.980 1.00 0.00 C ATOM 0 H VAL A 37 -2.914 -3.609 -10.873 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.451 -6.109 -11.290 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.245 -6.333 -10.156 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.037 -5.555 -7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.174 -4.216 -9.007 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.577 -4.681 -8.017 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.037 -7.679 -8.271 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.657 -6.967 -8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.968 -7.967 -9.760 1.00 0.00 H new ATOM 640 N LYS A 38 -6.270 -5.454 -9.563 1.00 0.00 N ATOM 641 CA LYS A 38 -7.418 -4.926 -8.846 1.00 0.00 C ATOM 642 C LYS A 38 -7.603 -5.660 -7.514 1.00 0.00 C ATOM 643 O LYS A 38 -8.732 -5.812 -7.019 1.00 0.00 O ATOM 644 CB LYS A 38 -8.727 -4.982 -9.686 1.00 0.00 C ATOM 645 CG LYS A 38 -9.164 -6.368 -10.185 1.00 0.00 C ATOM 646 CD LYS A 38 -8.543 -6.738 -11.528 1.00 0.00 C ATOM 647 CE LYS A 38 -9.028 -5.810 -12.636 1.00 0.00 C ATOM 648 NZ LYS A 38 -8.487 -6.179 -13.953 1.00 0.00 N ATOM 0 H LYS A 38 -6.312 -6.455 -9.755 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.212 -3.874 -8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.536 -4.565 -9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.605 -4.331 -10.552 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.889 -7.119 -9.444 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.250 -6.391 -10.274 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.457 -6.685 -11.456 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.796 -7.769 -11.777 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.117 -5.832 -12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.738 -4.786 -12.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.845 -5.519 -14.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.448 -6.132 -13.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.784 -7.147 -14.192 1.00 0.00 H new ATOM 662 N GLY A 39 -6.503 -6.055 -6.900 1.00 0.00 N ATOM 663 CA GLY A 39 -6.614 -6.783 -5.659 1.00 0.00 C ATOM 664 C GLY A 39 -6.457 -8.281 -5.828 1.00 0.00 C ATOM 665 O GLY A 39 -7.389 -9.038 -5.568 1.00 0.00 O ATOM 0 H GLY A 39 -5.552 -5.889 -7.230 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.856 -6.421 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.585 -6.575 -5.209 1.00 0.00 H new ATOM 669 N GLY A 40 -5.312 -8.698 -6.317 1.00 0.00 N ATOM 670 CA GLY A 40 -5.047 -10.112 -6.511 1.00 0.00 C ATOM 671 C GLY A 40 -4.725 -10.793 -5.192 1.00 0.00 C ATOM 672 O GLY A 40 -3.572 -10.784 -4.750 1.00 0.00 O ATOM 0 H GLY A 40 -4.547 -8.081 -6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.914 -10.589 -6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.213 -10.238 -7.202 1.00 0.00 H new ATOM 676 N LYS A 41 -5.741 -11.388 -4.595 1.00 0.00 N ATOM 677 CA LYS A 41 -5.684 -12.001 -3.274 1.00 0.00 C ATOM 678 C LYS A 41 -5.239 -10.993 -2.222 1.00 0.00 C ATOM 679 O LYS A 41 -4.046 -10.953 -1.844 1.00 0.00 O ATOM 680 CB LYS A 41 -4.809 -13.267 -3.201 1.00 0.00 C ATOM 681 CG LYS A 41 -4.862 -13.922 -1.825 1.00 0.00 C ATOM 682 CD LYS A 41 -3.867 -15.047 -1.675 1.00 0.00 C ATOM 683 CE LYS A 41 -4.025 -15.699 -0.316 1.00 0.00 C ATOM 684 NZ LYS A 41 -3.082 -16.802 -0.120 1.00 0.00 N ATOM 0 H LYS A 41 -6.661 -11.462 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.704 -12.325 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.141 -13.981 -3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.777 -13.008 -3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.670 -13.169 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.867 -14.306 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.019 -15.786 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.853 -14.664 -1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.875 -14.952 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.044 -16.071 -0.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.354 -17.345 0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.099 -17.425 -0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.123 -16.420 0.008 1.00 0.00 H new ATOM 698 N ASN A 42 -6.188 -10.147 -1.815 1.00 0.00 N ATOM 699 CA ASN A 42 -5.992 -9.127 -0.776 1.00 0.00 C ATOM 700 C ASN A 42 -4.752 -8.294 -1.097 1.00 0.00 C ATOM 701 O ASN A 42 -3.688 -8.454 -0.507 1.00 0.00 O ATOM 702 CB ASN A 42 -5.919 -9.782 0.617 1.00 0.00 C ATOM 703 CG ASN A 42 -5.876 -8.806 1.786 1.00 0.00 C ATOM 704 OD1 ASN A 42 -5.257 -9.098 2.801 1.00 0.00 O ATOM 705 ND2 ASN A 42 -6.572 -7.691 1.693 1.00 0.00 N ATOM 0 H ASN A 42 -7.131 -10.150 -2.203 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.847 -8.451 -0.760 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.783 -10.435 0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.032 -10.415 0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.605 -7.043 2.480 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.077 -7.475 0.834 1.00 0.00 H new ATOM 712 N GLU A 43 -4.889 -7.480 -2.105 1.00 0.00 N ATOM 713 CA GLU A 43 -3.789 -6.741 -2.654 1.00 0.00 C ATOM 714 C GLU A 43 -4.222 -5.287 -2.828 1.00 0.00 C ATOM 715 O GLU A 43 -5.305 -4.909 -2.363 1.00 0.00 O ATOM 716 CB GLU A 43 -3.391 -7.416 -3.979 1.00 0.00 C ATOM 717 CG GLU A 43 -2.051 -7.015 -4.564 1.00 0.00 C ATOM 718 CD GLU A 43 -1.526 -8.063 -5.507 1.00 0.00 C ATOM 719 OE1 GLU A 43 -0.956 -9.043 -5.018 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.658 -7.925 -6.728 1.00 0.00 O ATOM 0 H GLU A 43 -5.779 -7.309 -2.574 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.916 -6.739 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.387 -8.495 -3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.164 -7.202 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.152 -6.067 -5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.334 -6.856 -3.759 1.00 0.00 H new ATOM 727 N LEU A 44 -3.391 -4.482 -3.434 1.00 0.00 N ATOM 728 CA LEU A 44 -3.690 -3.089 -3.653 1.00 0.00 C ATOM 729 C LEU A 44 -4.227 -2.953 -5.062 1.00 0.00 C ATOM 730 O LEU A 44 -3.917 -3.772 -5.922 1.00 0.00 O ATOM 731 CB LEU A 44 -2.376 -2.287 -3.580 1.00 0.00 C ATOM 732 CG LEU A 44 -2.414 -0.930 -2.845 1.00 0.00 C ATOM 733 CD1 LEU A 44 -1.100 -0.262 -2.926 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.473 -0.002 -3.340 1.00 0.00 C ATOM 0 H LEU A 44 -2.482 -4.774 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.404 -2.728 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.626 -2.912 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.033 -2.109 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.660 -1.164 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.145 0.693 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.342 -0.894 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.842 -0.091 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.435 0.929 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.307 0.209 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.451 -0.465 -3.212 1.00 0.00 H new ATOM 746 N SER A 45 -5.060 -1.989 -5.287 1.00 0.00 N ATOM 747 CA SER A 45 -5.517 -1.733 -6.609 1.00 0.00 C ATOM 748 C SER A 45 -4.716 -0.600 -7.238 1.00 0.00 C ATOM 749 O SER A 45 -4.609 0.504 -6.672 1.00 0.00 O ATOM 750 CB SER A 45 -7.007 -1.455 -6.641 1.00 0.00 C ATOM 751 OG SER A 45 -7.747 -2.557 -6.157 1.00 0.00 O ATOM 0 H SER A 45 -5.436 -1.368 -4.571 1.00 0.00 H new ATOM 0 HA SER A 45 -5.354 -2.631 -7.205 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.227 -0.574 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.315 -1.228 -7.662 1.00 0.00 H new ATOM 0 HG SER A 45 -8.704 -2.348 -6.188 1.00 0.00 H new ATOM 757 N PHE A 46 -4.143 -0.878 -8.376 1.00 0.00 N ATOM 758 CA PHE A 46 -3.325 0.062 -9.091 1.00 0.00 C ATOM 759 C PHE A 46 -3.230 -0.342 -10.527 1.00 0.00 C ATOM 760 O PHE A 46 -3.497 -1.496 -10.873 1.00 0.00 O ATOM 761 CB PHE A 46 -1.917 0.179 -8.470 1.00 0.00 C ATOM 762 CG PHE A 46 -1.235 -1.135 -8.208 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.517 -1.771 -9.199 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.302 -1.722 -6.963 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.121 -2.964 -8.958 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.670 -2.912 -6.716 1.00 0.00 C ATOM 767 CZ PHE A 46 0.047 -3.534 -7.716 1.00 0.00 C ATOM 0 H PHE A 46 -4.233 -1.781 -8.841 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.795 1.043 -9.021 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.290 0.772 -9.135 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.993 0.727 -7.531 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.455 -1.324 -10.180 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.859 -1.239 -6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.678 -3.450 -9.745 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.733 -3.363 -5.737 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.549 -4.470 -7.519 1.00 0.00 H new ATOM 777 N LYS A 47 -2.863 0.579 -11.346 1.00 0.00 N ATOM 778 CA LYS A 47 -2.713 0.326 -12.739 1.00 0.00 C ATOM 779 C LYS A 47 -1.291 0.549 -13.120 1.00 0.00 C ATOM 780 O LYS A 47 -0.587 1.323 -12.460 1.00 0.00 O ATOM 781 CB LYS A 47 -3.677 1.170 -13.589 1.00 0.00 C ATOM 782 CG LYS A 47 -5.139 0.754 -13.432 1.00 0.00 C ATOM 783 CD LYS A 47 -6.089 1.583 -14.290 1.00 0.00 C ATOM 784 CE LYS A 47 -6.129 3.046 -13.865 1.00 0.00 C ATOM 785 NZ LYS A 47 -7.111 3.817 -14.663 1.00 0.00 N ATOM 0 H LYS A 47 -2.656 1.538 -11.068 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.977 -0.712 -12.940 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.573 2.219 -13.312 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.393 1.088 -14.638 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.242 -0.298 -13.698 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.428 0.848 -12.385 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.781 1.519 -15.334 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.092 1.162 -14.227 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.386 3.112 -12.808 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.139 3.487 -13.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.113 4.808 -14.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.851 3.774 -15.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.060 3.411 -14.533 1.00 0.00 H new ATOM 799 N GLN A 48 -0.857 -0.156 -14.135 1.00 0.00 N ATOM 800 CA GLN A 48 0.509 -0.101 -14.606 1.00 0.00 C ATOM 801 C GLN A 48 0.927 1.351 -14.889 1.00 0.00 C ATOM 802 O GLN A 48 0.270 2.064 -15.654 1.00 0.00 O ATOM 803 CB GLN A 48 0.665 -0.951 -15.863 1.00 0.00 C ATOM 804 CG GLN A 48 2.105 -1.164 -16.281 1.00 0.00 C ATOM 805 CD GLN A 48 2.223 -1.808 -17.642 1.00 0.00 C ATOM 806 OE1 GLN A 48 2.274 -3.033 -17.764 1.00 0.00 O ATOM 807 NE2 GLN A 48 2.244 -0.998 -18.667 1.00 0.00 N ATOM 0 H GLN A 48 -1.449 -0.794 -14.666 1.00 0.00 H new ATOM 0 HA GLN A 48 1.160 -0.499 -13.828 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.198 -1.921 -15.695 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.125 -0.475 -16.682 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.623 -0.205 -16.290 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.606 -1.789 -15.542 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.200 0.011 -18.521 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.305 -1.374 -19.613 1.00 0.00 H new ATOM 816 N GLY A 49 1.991 1.772 -14.239 1.00 0.00 N ATOM 817 CA GLY A 49 2.492 3.113 -14.408 1.00 0.00 C ATOM 818 C GLY A 49 1.915 4.119 -13.426 1.00 0.00 C ATOM 819 O GLY A 49 1.997 5.312 -13.660 1.00 0.00 O ATOM 0 H GLY A 49 2.526 1.199 -13.586 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.577 3.100 -14.303 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.274 3.446 -15.423 1.00 0.00 H new ATOM 823 N GLU A 50 1.322 3.654 -12.338 1.00 0.00 N ATOM 824 CA GLU A 50 0.779 4.584 -11.333 1.00 0.00 C ATOM 825 C GLU A 50 1.797 4.995 -10.290 1.00 0.00 C ATOM 826 O GLU A 50 1.733 6.101 -9.755 1.00 0.00 O ATOM 827 CB GLU A 50 -0.461 4.043 -10.637 1.00 0.00 C ATOM 828 CG GLU A 50 -1.729 4.173 -11.440 1.00 0.00 C ATOM 829 CD GLU A 50 -2.956 4.119 -10.577 1.00 0.00 C ATOM 830 OE1 GLU A 50 -3.388 3.024 -10.196 1.00 0.00 O ATOM 831 OE2 GLU A 50 -3.517 5.191 -10.253 1.00 0.00 O ATOM 0 H GLU A 50 1.201 2.665 -12.121 1.00 0.00 H new ATOM 0 HA GLU A 50 0.500 5.468 -11.906 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.301 2.991 -10.400 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.589 4.567 -9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.714 5.115 -11.989 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.772 3.374 -12.180 1.00 0.00 H new ATOM 838 N GLN A 51 2.717 4.097 -10.010 1.00 0.00 N ATOM 839 CA GLN A 51 3.765 4.282 -8.976 1.00 0.00 C ATOM 840 C GLN A 51 3.218 4.121 -7.557 1.00 0.00 C ATOM 841 O GLN A 51 2.213 4.725 -7.158 1.00 0.00 O ATOM 842 CB GLN A 51 4.647 5.558 -9.125 1.00 0.00 C ATOM 843 CG GLN A 51 5.744 5.466 -10.200 1.00 0.00 C ATOM 844 CD GLN A 51 5.253 5.516 -11.641 1.00 0.00 C ATOM 845 OE1 GLN A 51 5.837 4.887 -12.524 1.00 0.00 O ATOM 846 NE2 GLN A 51 4.257 6.311 -11.911 1.00 0.00 N ATOM 0 H GLN A 51 2.776 3.199 -10.489 1.00 0.00 H new ATOM 0 HA GLN A 51 4.458 3.462 -9.165 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.000 6.404 -9.358 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.117 5.771 -8.165 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.449 6.283 -10.046 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.295 4.537 -10.054 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.792 6.819 -11.159 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.942 6.425 -12.874 1.00 0.00 H new ATOM 855 N ILE A 52 3.893 3.299 -6.818 1.00 0.00 N ATOM 856 CA ILE A 52 3.499 2.847 -5.507 1.00 0.00 C ATOM 857 C ILE A 52 4.689 3.066 -4.575 1.00 0.00 C ATOM 858 O ILE A 52 5.774 3.318 -5.042 1.00 0.00 O ATOM 859 CB ILE A 52 3.201 1.315 -5.598 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.344 1.033 -6.836 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.514 0.786 -4.343 1.00 0.00 C ATOM 862 CD1 ILE A 52 1.907 -0.381 -6.964 1.00 0.00 C ATOM 0 H ILE A 52 4.781 2.900 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 52 2.621 3.380 -5.143 1.00 0.00 H new ATOM 0 HB ILE A 52 4.154 0.793 -5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.462 1.673 -6.807 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.909 1.309 -7.726 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.327 -0.282 -4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.156 0.955 -3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.567 1.307 -4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.306 -0.496 -7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.782 -1.028 -7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.312 -0.658 -6.094 1.00 0.00 H new ATOM 874 N GLU A 53 4.503 3.015 -3.302 1.00 0.00 N ATOM 875 CA GLU A 53 5.626 3.114 -2.395 1.00 0.00 C ATOM 876 C GLU A 53 5.745 1.794 -1.675 1.00 0.00 C ATOM 877 O GLU A 53 4.731 1.177 -1.370 1.00 0.00 O ATOM 878 CB GLU A 53 5.396 4.207 -1.370 1.00 0.00 C ATOM 879 CG GLU A 53 4.749 5.459 -1.934 1.00 0.00 C ATOM 880 CD GLU A 53 4.369 6.453 -0.875 1.00 0.00 C ATOM 881 OE1 GLU A 53 3.567 6.116 0.020 1.00 0.00 O ATOM 882 OE2 GLU A 53 4.866 7.614 -0.922 1.00 0.00 O ATOM 0 H GLU A 53 3.594 2.906 -2.853 1.00 0.00 H new ATOM 0 HA GLU A 53 6.530 3.351 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.767 3.814 -0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.352 4.476 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.436 5.931 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.859 5.179 -2.497 1.00 0.00 H new ATOM 889 N ILE A 54 6.944 1.345 -1.432 1.00 0.00 N ATOM 890 CA ILE A 54 7.140 0.125 -0.684 1.00 0.00 C ATOM 891 C ILE A 54 7.504 0.492 0.743 1.00 0.00 C ATOM 892 O ILE A 54 8.427 1.281 0.982 1.00 0.00 O ATOM 893 CB ILE A 54 8.211 -0.843 -1.327 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.415 -2.099 -0.492 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.531 -0.180 -1.555 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.232 -3.006 -0.455 1.00 0.00 C ATOM 0 H ILE A 54 7.803 1.802 -1.739 1.00 0.00 H new ATOM 0 HA ILE A 54 6.208 -0.440 -0.702 1.00 0.00 H new ATOM 0 HB ILE A 54 7.801 -1.122 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.269 -2.650 -0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.667 -1.807 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.225 -0.894 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.401 0.666 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 54 9.931 0.172 -0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.460 -3.876 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.380 -2.475 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.991 -3.331 -1.467 1.00 0.00 H new ATOM 908 N ILE A 55 6.745 -0.013 1.666 1.00 0.00 N ATOM 909 CA ILE A 55 6.944 0.287 3.065 1.00 0.00 C ATOM 910 C ILE A 55 7.455 -0.906 3.852 1.00 0.00 C ATOM 911 O ILE A 55 8.314 -0.749 4.710 1.00 0.00 O ATOM 912 CB ILE A 55 5.706 0.929 3.768 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.378 0.291 3.316 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.680 2.441 3.573 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.842 0.810 1.997 1.00 0.00 C ATOM 0 H ILE A 55 5.967 -0.646 1.479 1.00 0.00 H new ATOM 0 HA ILE A 55 7.722 1.050 3.065 1.00 0.00 H new ATOM 0 HB ILE A 55 5.811 0.725 4.834 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.517 -0.787 3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.628 0.460 4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.806 2.858 4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.584 2.878 3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.631 2.670 2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.906 0.304 1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.666 1.883 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.568 0.617 1.208 1.00 0.00 H new ATOM 927 N ARG A 56 6.941 -2.092 3.585 1.00 0.00 N ATOM 928 CA ARG A 56 7.478 -3.256 4.261 1.00 0.00 C ATOM 929 C ARG A 56 7.702 -4.407 3.282 1.00 0.00 C ATOM 930 O ARG A 56 6.871 -4.659 2.407 1.00 0.00 O ATOM 931 CB ARG A 56 6.643 -3.689 5.487 1.00 0.00 C ATOM 932 CG ARG A 56 7.383 -4.732 6.302 1.00 0.00 C ATOM 933 CD ARG A 56 6.787 -5.017 7.659 1.00 0.00 C ATOM 934 NE ARG A 56 7.688 -5.884 8.423 1.00 0.00 N ATOM 935 CZ ARG A 56 7.728 -5.991 9.747 1.00 0.00 C ATOM 936 NH1 ARG A 56 6.681 -5.650 10.477 1.00 0.00 N ATOM 937 NH2 ARG A 56 8.786 -6.534 10.327 1.00 0.00 N ATOM 0 H ARG A 56 6.180 -2.272 2.930 1.00 0.00 H new ATOM 0 HA ARG A 56 8.449 -2.963 4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.426 -2.821 6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.685 -4.091 5.157 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.415 -5.661 5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.414 -4.404 6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.622 -4.084 8.197 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.815 -5.496 7.546 1.00 0.00 H new ATOM 0 HE ARG A 56 8.343 -6.457 7.891 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.835 -5.302 10.025 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.718 -5.735 11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.564 -6.867 9.758 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.823 -6.619 11.343 1.00 0.00 H new ATOM 951 N ILE A 57 8.837 -5.062 3.431 1.00 0.00 N ATOM 952 CA ILE A 57 9.279 -6.157 2.569 1.00 0.00 C ATOM 953 C ILE A 57 9.693 -7.379 3.376 1.00 0.00 C ATOM 954 O ILE A 57 9.456 -8.503 2.968 1.00 0.00 O ATOM 955 CB ILE A 57 10.479 -5.774 1.603 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.609 -4.983 2.305 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.003 -5.032 0.382 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.251 -3.541 2.624 1.00 0.00 C ATOM 0 H ILE A 57 9.501 -4.846 4.175 1.00 0.00 H new ATOM 0 HA ILE A 57 8.407 -6.382 1.955 1.00 0.00 H new ATOM 0 HB ILE A 57 10.906 -6.726 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.874 -5.494 3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.495 -4.994 1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.856 -4.789 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.304 -5.657 -0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.504 -4.112 0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.095 -3.056 3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.015 -3.012 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.385 -3.519 3.286 1.00 0.00 H new ATOM 970 N THR A 58 10.308 -7.157 4.506 1.00 0.00 N ATOM 971 CA THR A 58 10.785 -8.240 5.322 1.00 0.00 C ATOM 972 C THR A 58 9.800 -8.585 6.421 1.00 0.00 C ATOM 973 O THR A 58 9.023 -7.718 6.858 1.00 0.00 O ATOM 974 CB THR A 58 12.179 -7.928 5.897 1.00 0.00 C ATOM 975 OG1 THR A 58 12.207 -6.579 6.430 1.00 0.00 O ATOM 976 CG2 THR A 58 13.234 -8.091 4.822 1.00 0.00 C ATOM 0 H THR A 58 10.491 -6.228 4.885 1.00 0.00 H new ATOM 0 HA THR A 58 10.877 -9.118 4.682 1.00 0.00 H new ATOM 0 HB THR A 58 12.393 -8.628 6.705 1.00 0.00 H new ATOM 0 HG1 THR A 58 13.097 -6.390 6.795 1.00 0.00 H new ATOM 0 HG21 THR A 58 14.216 -7.868 5.239 1.00 0.00 H new ATOM 0 HG22 THR A 58 13.221 -9.116 4.452 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.025 -7.406 4.000 1.00 0.00 H new ATOM 984 N ASP A 59 9.873 -9.835 6.872 1.00 0.00 N ATOM 985 CA ASP A 59 8.947 -10.434 7.843 1.00 0.00 C ATOM 986 C ASP A 59 7.559 -10.428 7.231 1.00 0.00 C ATOM 987 O ASP A 59 6.676 -9.649 7.604 1.00 0.00 O ATOM 988 CB ASP A 59 8.985 -9.744 9.239 1.00 0.00 C ATOM 989 CG ASP A 59 8.277 -10.537 10.340 1.00 0.00 C ATOM 990 OD1 ASP A 59 8.848 -11.546 10.815 1.00 0.00 O ATOM 991 OD2 ASP A 59 7.170 -10.153 10.795 1.00 0.00 O ATOM 0 H ASP A 59 10.599 -10.483 6.565 1.00 0.00 H new ATOM 0 HA ASP A 59 9.259 -11.459 8.045 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.024 -9.587 9.528 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.524 -8.759 9.160 1.00 0.00 H new ATOM 996 N ASN A 60 7.417 -11.231 6.205 1.00 0.00 N ATOM 997 CA ASN A 60 6.198 -11.296 5.415 1.00 0.00 C ATOM 998 C ASN A 60 5.772 -12.757 5.144 1.00 0.00 C ATOM 999 O ASN A 60 6.450 -13.508 4.442 1.00 0.00 O ATOM 1000 CB ASN A 60 6.362 -10.482 4.106 1.00 0.00 C ATOM 1001 CG ASN A 60 7.470 -10.966 3.160 1.00 0.00 C ATOM 1002 OD1 ASN A 60 8.462 -11.581 3.569 1.00 0.00 O ATOM 1003 ND2 ASN A 60 7.335 -10.650 1.903 1.00 0.00 N ATOM 0 H ASN A 60 8.148 -11.867 5.886 1.00 0.00 H new ATOM 0 HA ASN A 60 5.391 -10.843 5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.415 -10.500 3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.560 -9.443 4.368 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.057 -10.910 1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.507 -10.142 1.591 1.00 0.00 H new ATOM 1010 N PRO A 61 4.609 -13.162 5.680 1.00 0.00 N ATOM 1011 CA PRO A 61 4.137 -14.563 5.637 1.00 0.00 C ATOM 1012 C PRO A 61 3.739 -15.083 4.244 1.00 0.00 C ATOM 1013 O PRO A 61 3.843 -16.275 3.977 1.00 0.00 O ATOM 1014 CB PRO A 61 2.920 -14.553 6.567 1.00 0.00 C ATOM 1015 CG PRO A 61 2.434 -13.147 6.542 1.00 0.00 C ATOM 1016 CD PRO A 61 3.654 -12.286 6.396 1.00 0.00 C ATOM 0 HA PRO A 61 4.941 -15.238 5.931 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.151 -15.243 6.220 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.192 -14.860 7.577 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.744 -12.988 5.713 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.894 -12.905 7.457 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.440 -11.379 5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.044 -11.974 7.365 1.00 0.00 H new ATOM 1024 N GLU A 62 3.288 -14.205 3.361 1.00 0.00 N ATOM 1025 CA GLU A 62 2.835 -14.647 2.044 1.00 0.00 C ATOM 1026 C GLU A 62 3.970 -14.519 1.026 1.00 0.00 C ATOM 1027 O GLU A 62 3.927 -15.088 -0.077 1.00 0.00 O ATOM 1028 CB GLU A 62 1.608 -13.824 1.604 1.00 0.00 C ATOM 1029 CG GLU A 62 0.971 -14.258 0.283 1.00 0.00 C ATOM 1030 CD GLU A 62 0.407 -15.656 0.326 1.00 0.00 C ATOM 1031 OE1 GLU A 62 -0.757 -15.817 0.710 1.00 0.00 O ATOM 1032 OE2 GLU A 62 1.110 -16.623 -0.044 1.00 0.00 O ATOM 0 H GLU A 62 3.225 -13.200 3.524 1.00 0.00 H new ATOM 0 HA GLU A 62 2.543 -15.696 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.853 -13.880 2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.903 -12.778 1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.175 -13.560 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.717 -14.198 -0.509 1.00 0.00 H new ATOM 1039 N GLY A 63 4.984 -13.778 1.392 1.00 0.00 N ATOM 1040 CA GLY A 63 6.090 -13.553 0.491 1.00 0.00 C ATOM 1041 C GLY A 63 5.837 -12.356 -0.394 1.00 0.00 C ATOM 1042 O GLY A 63 6.665 -11.996 -1.229 1.00 0.00 O ATOM 0 H GLY A 63 5.069 -13.322 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.004 -13.398 1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.246 -14.438 -0.126 1.00 0.00 H new ATOM 1046 N LYS A 64 4.692 -11.736 -0.201 1.00 0.00 N ATOM 1047 CA LYS A 64 4.332 -10.566 -0.940 1.00 0.00 C ATOM 1048 C LYS A 64 4.713 -9.334 -0.127 1.00 0.00 C ATOM 1049 O LYS A 64 4.933 -9.444 1.090 1.00 0.00 O ATOM 1050 CB LYS A 64 2.835 -10.599 -1.358 1.00 0.00 C ATOM 1051 CG LYS A 64 1.776 -10.452 -0.281 1.00 0.00 C ATOM 1052 CD LYS A 64 0.383 -10.872 -0.834 1.00 0.00 C ATOM 1053 CE LYS A 64 0.025 -10.099 -2.109 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.258 -10.506 -2.742 1.00 0.00 N ATOM 0 H LYS A 64 3.991 -12.037 0.476 1.00 0.00 H new ATOM 0 HA LYS A 64 4.886 -10.528 -1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.678 -9.805 -2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.656 -11.543 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.034 -11.069 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.741 -9.419 0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.382 -11.942 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.379 -10.695 -0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.023 -9.036 -1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.829 -10.228 -2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.438 -9.911 -3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.200 -11.503 -3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.034 -10.389 -2.060 1.00 0.00 H new ATOM 1068 N TRP A 65 4.800 -8.216 -0.776 1.00 0.00 N ATOM 1069 CA TRP A 65 5.295 -6.968 -0.192 1.00 0.00 C ATOM 1070 C TRP A 65 4.159 -6.078 0.256 1.00 0.00 C ATOM 1071 O TRP A 65 3.011 -6.415 0.075 1.00 0.00 O ATOM 1072 CB TRP A 65 6.172 -6.215 -1.201 1.00 0.00 C ATOM 1073 CG TRP A 65 7.500 -6.850 -1.453 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.139 -7.745 -0.643 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.383 -6.621 -2.572 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.341 -8.100 -1.185 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.520 -7.430 -2.368 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.326 -5.825 -3.734 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.578 -7.467 -3.264 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.383 -5.870 -4.615 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.492 -6.684 -4.379 1.00 0.00 C ATOM 0 H TRP A 65 4.526 -8.123 -1.754 1.00 0.00 H new ATOM 0 HA TRP A 65 5.891 -7.230 0.682 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.634 -6.137 -2.146 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.331 -5.199 -0.840 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.749 -8.119 0.292 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.002 -8.760 -0.774 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.472 -5.194 -3.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.440 -8.093 -3.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.353 -5.263 -5.508 1.00 0.00 H new ATOM 0 HH2 TRP A 65 11.301 -6.695 -5.095 1.00 0.00 H new ATOM 1092 N LEU A 66 4.483 -4.963 0.870 1.00 0.00 N ATOM 1093 CA LEU A 66 3.485 -4.013 1.313 1.00 0.00 C ATOM 1094 C LEU A 66 3.652 -2.714 0.554 1.00 0.00 C ATOM 1095 O LEU A 66 4.629 -1.986 0.781 1.00 0.00 O ATOM 1096 CB LEU A 66 3.631 -3.740 2.813 1.00 0.00 C ATOM 1097 CG LEU A 66 2.584 -2.815 3.425 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.223 -3.438 3.342 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.926 -2.493 4.854 1.00 0.00 C ATOM 0 H LEU A 66 5.443 -4.688 1.077 1.00 0.00 H new ATOM 0 HA LEU A 66 2.497 -4.432 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.599 -4.693 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.617 -3.310 2.990 1.00 0.00 H new ATOM 0 HG LEU A 66 2.577 -1.885 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.487 -2.765 3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.969 -3.619 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.222 -4.383 3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.166 -1.832 5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.964 -3.414 5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.897 -1.999 4.893 1.00 0.00 H new ATOM 1111 N GLY A 67 2.733 -2.426 -0.334 1.00 0.00 N ATOM 1112 CA GLY A 67 2.822 -1.224 -1.113 1.00 0.00 C ATOM 1113 C GLY A 67 1.742 -0.243 -0.742 1.00 0.00 C ATOM 1114 O GLY A 67 0.712 -0.638 -0.213 1.00 0.00 O ATOM 0 H GLY A 67 1.919 -3.007 -0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.799 -0.764 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.744 -1.469 -2.172 1.00 0.00 H new ATOM 1118 N ARG A 68 1.976 1.024 -1.008 1.00 0.00 N ATOM 1119 CA ARG A 68 1.019 2.078 -0.703 1.00 0.00 C ATOM 1120 C ARG A 68 0.862 3.043 -1.864 1.00 0.00 C ATOM 1121 O ARG A 68 1.793 3.297 -2.614 1.00 0.00 O ATOM 1122 CB ARG A 68 1.428 2.836 0.570 1.00 0.00 C ATOM 1123 CG ARG A 68 0.532 4.003 0.982 1.00 0.00 C ATOM 1124 CD ARG A 68 1.224 4.846 2.039 1.00 0.00 C ATOM 1125 NE ARG A 68 0.451 6.038 2.429 1.00 0.00 N ATOM 1126 CZ ARG A 68 0.627 7.272 1.909 1.00 0.00 C ATOM 1127 NH1 ARG A 68 1.526 7.483 0.961 1.00 0.00 N ATOM 1128 NH2 ARG A 68 -0.087 8.296 2.362 1.00 0.00 N ATOM 0 H ARG A 68 2.836 1.358 -1.443 1.00 0.00 H new ATOM 0 HA ARG A 68 0.054 1.601 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.464 2.124 1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.441 3.215 0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.298 4.617 0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.414 3.626 1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.405 4.233 2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.198 5.160 1.664 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.269 5.923 3.143 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.094 6.710 0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.650 8.419 0.575 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.771 8.152 3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.049 9.227 1.967 1.00 0.00 H new ATOM 1142 N THR A 69 -0.323 3.555 -1.987 1.00 0.00 N ATOM 1143 CA THR A 69 -0.673 4.529 -2.997 1.00 0.00 C ATOM 1144 C THR A 69 -0.674 5.910 -2.323 1.00 0.00 C ATOM 1145 O THR A 69 -0.758 5.977 -1.098 1.00 0.00 O ATOM 1146 CB THR A 69 -2.082 4.198 -3.558 1.00 0.00 C ATOM 1147 OG1 THR A 69 -2.104 2.826 -3.958 1.00 0.00 O ATOM 1148 CG2 THR A 69 -2.434 5.059 -4.768 1.00 0.00 C ATOM 0 H THR A 69 -1.101 3.306 -1.376 1.00 0.00 H new ATOM 0 HA THR A 69 0.037 4.516 -3.824 1.00 0.00 H new ATOM 0 HB THR A 69 -2.812 4.399 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.990 2.603 -4.313 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.428 4.793 -5.127 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.421 6.111 -4.482 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.705 4.889 -5.560 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.609 6.983 -3.105 1.00 0.00 N ATOM 1157 CA ALA A 70 -0.541 8.365 -2.603 1.00 0.00 C ATOM 1158 C ALA A 70 -1.653 8.713 -1.598 1.00 0.00 C ATOM 1159 O ALA A 70 -1.463 9.556 -0.725 1.00 0.00 O ATOM 1160 CB ALA A 70 -0.571 9.337 -3.769 1.00 0.00 C ATOM 0 H ALA A 70 -0.602 6.923 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 70 0.400 8.452 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.520 10.359 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.281 9.148 -4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.495 9.203 -4.331 1.00 0.00 H new ATOM 1166 N ARG A 71 -2.796 8.053 -1.709 1.00 0.00 N ATOM 1167 CA ARG A 71 -3.923 8.326 -0.815 1.00 0.00 C ATOM 1168 C ARG A 71 -3.878 7.466 0.453 1.00 0.00 C ATOM 1169 O ARG A 71 -4.788 7.523 1.282 1.00 0.00 O ATOM 1170 CB ARG A 71 -5.257 8.096 -1.522 1.00 0.00 C ATOM 1171 CG ARG A 71 -5.486 6.668 -1.990 1.00 0.00 C ATOM 1172 CD ARG A 71 -6.966 6.383 -2.128 1.00 0.00 C ATOM 1173 NE ARG A 71 -7.246 5.060 -2.703 1.00 0.00 N ATOM 1174 CZ ARG A 71 -7.941 4.082 -2.086 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -8.246 4.197 -0.788 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -8.268 2.971 -2.746 1.00 0.00 N ATOM 0 H ARG A 71 -2.972 7.327 -2.404 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.836 9.374 -0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.065 8.377 -0.846 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.316 8.761 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.989 6.509 -2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.041 5.971 -1.280 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.437 6.454 -1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.421 7.149 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.888 4.867 -3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.953 5.023 -0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.771 3.458 -0.320 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.993 2.858 -3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.793 2.234 -2.275 1.00 0.00 H new ATOM 1190 N GLY A 72 -2.837 6.674 0.596 1.00 0.00 N ATOM 1191 CA GLY A 72 -2.727 5.789 1.727 1.00 0.00 C ATOM 1192 C GLY A 72 -3.611 4.599 1.559 1.00 0.00 C ATOM 1193 O GLY A 72 -4.766 4.600 1.974 1.00 0.00 O ATOM 0 H GLY A 72 -2.057 6.628 -0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.692 5.465 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.997 6.322 2.639 1.00 0.00 H new ATOM 1197 N SER A 73 -3.080 3.612 0.930 1.00 0.00 N ATOM 1198 CA SER A 73 -3.738 2.424 0.592 1.00 0.00 C ATOM 1199 C SER A 73 -2.636 1.470 0.551 1.00 0.00 C ATOM 1200 O SER A 73 -1.716 1.647 -0.211 1.00 0.00 O ATOM 1201 CB SER A 73 -4.359 2.516 -0.780 1.00 0.00 C ATOM 1202 OG SER A 73 -5.066 3.723 -0.927 1.00 0.00 O ATOM 0 H SER A 73 -2.108 3.625 0.622 1.00 0.00 H new ATOM 0 HA SER A 73 -4.544 2.171 1.281 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.582 2.449 -1.541 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.032 1.673 -0.937 1.00 0.00 H new ATOM 0 HG SER A 73 -5.778 3.769 -0.255 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.695 0.552 1.358 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.656 -0.379 1.552 1.00 0.00 C ATOM 1210 C TYR A 74 -2.141 -1.712 1.145 1.00 0.00 C ATOM 1211 O TYR A 74 -2.773 -2.436 1.921 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.281 -0.448 2.987 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.578 0.733 3.620 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.292 1.828 4.081 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.789 0.713 3.831 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.660 2.864 4.731 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.430 1.756 4.472 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.699 2.828 4.924 1.00 0.00 C ATOM 1219 OH TYR A 74 1.323 3.867 5.588 1.00 0.00 O ATOM 0 H TYR A 74 -3.505 0.389 1.956 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.791 -0.072 0.964 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.192 -0.632 3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.641 -1.321 3.118 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.360 1.869 3.928 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.366 -0.133 3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.234 3.706 5.089 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.500 1.729 4.617 1.00 0.00 H new ATOM 0 HH TYR A 74 2.285 3.689 5.643 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.927 -2.012 -0.043 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.291 -3.242 -0.513 1.00 0.00 C ATOM 1231 C GLY A 75 -1.089 -4.029 -0.711 1.00 0.00 C ATOM 1232 O GLY A 75 -0.281 -3.728 -1.583 1.00 0.00 O ATOM 0 H GLY A 75 -1.486 -1.398 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.956 -3.737 0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.839 -3.143 -1.450 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.896 -4.879 0.212 1.00 0.00 N ATOM 1237 CA TYR A 76 0.112 -5.921 0.192 1.00 0.00 C ATOM 1238 C TYR A 76 0.144 -6.545 -1.219 1.00 0.00 C ATOM 1239 O TYR A 76 -0.744 -7.280 -1.606 1.00 0.00 O ATOM 1240 CB TYR A 76 -0.227 -6.989 1.276 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.361 -6.538 2.194 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -2.665 -6.752 1.814 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -1.137 -5.846 3.382 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -3.714 -6.319 2.559 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -2.201 -5.396 4.134 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.492 -5.642 3.706 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.569 -5.195 4.437 1.00 0.00 O ATOM 0 H TYR A 76 -1.456 -4.890 1.064 1.00 0.00 H new ATOM 0 HA TYR A 76 1.097 -5.512 0.419 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.506 -7.923 0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.662 -7.194 1.873 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.861 -7.282 0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.126 -5.661 3.715 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.725 -6.516 2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.027 -4.854 5.052 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.836 -5.884 5.081 1.00 0.00 H new ATOM 1257 N ILE A 77 1.123 -6.125 -1.973 1.00 0.00 N ATOM 1258 CA ILE A 77 1.343 -6.470 -3.337 1.00 0.00 C ATOM 1259 C ILE A 77 2.081 -7.705 -3.504 1.00 0.00 C ATOM 1260 O ILE A 77 2.993 -7.998 -2.746 1.00 0.00 O ATOM 1261 CB ILE A 77 2.249 -5.440 -4.005 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.334 -4.944 -3.027 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.470 -4.306 -4.568 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.281 -3.942 -3.607 1.00 0.00 C ATOM 0 H ILE A 77 1.835 -5.487 -1.617 1.00 0.00 H new ATOM 0 HA ILE A 77 0.342 -6.538 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 77 2.748 -5.933 -4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.847 -4.504 -2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.905 -5.802 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.150 -3.594 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.769 -4.681 -5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.919 -3.811 -3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.009 -3.649 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.800 -4.382 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.725 -3.064 -3.935 1.00 0.00 H new ATOM 1276 N LYS A 78 1.760 -8.410 -4.516 1.00 0.00 N ATOM 1277 CA LYS A 78 2.588 -9.398 -4.911 1.00 0.00 C ATOM 1278 C LYS A 78 3.647 -8.675 -5.711 1.00 0.00 C ATOM 1279 O LYS A 78 3.365 -7.853 -6.594 1.00 0.00 O ATOM 1280 CB LYS A 78 1.890 -10.478 -5.728 1.00 0.00 C ATOM 1281 CG LYS A 78 1.290 -9.963 -6.983 1.00 0.00 C ATOM 1282 CD LYS A 78 0.734 -11.065 -7.838 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.059 -10.505 -8.995 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.293 -9.840 -8.535 1.00 0.00 N ATOM 0 H LYS A 78 0.912 -8.294 -5.071 1.00 0.00 H new ATOM 0 HA LYS A 78 2.996 -9.949 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.607 -11.262 -5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.110 -10.937 -5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.496 -9.257 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.045 -9.414 -7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.548 -11.683 -8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.097 -11.712 -7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.555 -9.793 -9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.314 -11.309 -9.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.916 -9.664 -9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.782 -10.451 -7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.052 -8.936 -8.081 1.00 0.00 H new ATOM 1298 N THR A 79 4.792 -8.870 -5.268 1.00 0.00 N ATOM 1299 CA THR A 79 6.074 -8.391 -5.809 1.00 0.00 C ATOM 1300 C THR A 79 6.099 -8.374 -7.361 1.00 0.00 C ATOM 1301 O THR A 79 6.721 -7.525 -7.974 1.00 0.00 O ATOM 1302 CB THR A 79 7.200 -9.355 -5.313 1.00 0.00 C ATOM 1303 OG1 THR A 79 7.014 -10.664 -5.900 1.00 0.00 O ATOM 1304 CG2 THR A 79 7.124 -9.525 -3.800 1.00 0.00 C ATOM 0 H THR A 79 4.932 -9.425 -4.424 1.00 0.00 H new ATOM 0 HA THR A 79 6.222 -7.368 -5.463 1.00 0.00 H new ATOM 0 HB THR A 79 8.161 -8.928 -5.601 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.722 -11.266 -5.589 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.914 -10.199 -3.469 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.249 -8.555 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.154 -9.942 -3.529 1.00 0.00 H new ATOM 1312 N THR A 80 5.367 -9.286 -7.944 1.00 0.00 N ATOM 1313 CA THR A 80 5.280 -9.488 -9.375 1.00 0.00 C ATOM 1314 C THR A 80 4.669 -8.257 -10.065 1.00 0.00 C ATOM 1315 O THR A 80 5.061 -7.893 -11.184 1.00 0.00 O ATOM 1316 CB THR A 80 4.385 -10.744 -9.690 1.00 0.00 C ATOM 1317 OG1 THR A 80 3.031 -10.346 -9.943 1.00 0.00 O ATOM 1318 CG2 THR A 80 4.339 -11.653 -8.475 1.00 0.00 C ATOM 0 H THR A 80 4.788 -9.939 -7.416 1.00 0.00 H new ATOM 0 HA THR A 80 6.290 -9.646 -9.754 1.00 0.00 H new ATOM 0 HB THR A 80 4.813 -11.246 -10.558 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.488 -11.138 -10.139 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.719 -12.522 -8.694 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.349 -11.981 -8.227 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.916 -11.110 -7.630 1.00 0.00 H new ATOM 1326 N ALA A 81 3.763 -7.580 -9.366 1.00 0.00 N ATOM 1327 CA ALA A 81 2.992 -6.516 -9.944 1.00 0.00 C ATOM 1328 C ALA A 81 3.712 -5.196 -9.862 1.00 0.00 C ATOM 1329 O ALA A 81 3.244 -4.189 -10.388 1.00 0.00 O ATOM 1330 CB ALA A 81 1.633 -6.438 -9.272 1.00 0.00 C ATOM 0 H ALA A 81 3.552 -7.763 -8.385 1.00 0.00 H new ATOM 0 HA ALA A 81 2.851 -6.736 -11.002 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.054 -5.628 -9.716 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.104 -7.381 -9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.764 -6.249 -8.207 1.00 0.00 H new ATOM 1336 N VAL A 82 4.846 -5.183 -9.212 1.00 0.00 N ATOM 1337 CA VAL A 82 5.604 -3.964 -9.082 1.00 0.00 C ATOM 1338 C VAL A 82 7.059 -4.179 -9.373 1.00 0.00 C ATOM 1339 O VAL A 82 7.554 -5.294 -9.355 1.00 0.00 O ATOM 1340 CB VAL A 82 5.482 -3.309 -7.679 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.073 -2.852 -7.405 1.00 0.00 C ATOM 1342 CG2 VAL A 82 5.945 -4.258 -6.587 1.00 0.00 C ATOM 0 H VAL A 82 5.265 -5.999 -8.765 1.00 0.00 H new ATOM 0 HA VAL A 82 5.169 -3.289 -9.819 1.00 0.00 H new ATOM 0 HB VAL A 82 6.132 -2.434 -7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.024 -2.399 -6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.776 -2.119 -8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.399 -3.707 -7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.848 -3.771 -5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.332 -5.159 -6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.988 -4.526 -6.756 1.00 0.00 H new ATOM 1352 N GLU A 83 7.704 -3.119 -9.682 1.00 0.00 N ATOM 1353 CA GLU A 83 9.126 -3.079 -9.818 1.00 0.00 C ATOM 1354 C GLU A 83 9.566 -1.950 -8.961 1.00 0.00 C ATOM 1355 O GLU A 83 9.124 -0.828 -9.180 1.00 0.00 O ATOM 1356 CB GLU A 83 9.540 -2.807 -11.253 1.00 0.00 C ATOM 1357 CG GLU A 83 9.173 -3.896 -12.232 1.00 0.00 C ATOM 1358 CD GLU A 83 9.730 -3.635 -13.598 1.00 0.00 C ATOM 1359 OE1 GLU A 83 10.889 -4.013 -13.844 1.00 0.00 O ATOM 1360 OE2 GLU A 83 9.018 -3.059 -14.456 1.00 0.00 O ATOM 0 H GLU A 83 7.251 -2.222 -9.855 1.00 0.00 H new ATOM 0 HA GLU A 83 9.571 -4.032 -9.533 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.080 -1.874 -11.579 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.619 -2.658 -11.284 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.545 -4.853 -11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.088 -3.978 -12.293 1.00 0.00 H new ATOM 1367 N ILE A 84 10.345 -2.212 -7.952 1.00 0.00 N ATOM 1368 CA ILE A 84 10.745 -1.133 -7.096 1.00 0.00 C ATOM 1369 C ILE A 84 11.847 -0.320 -7.717 1.00 0.00 C ATOM 1370 O ILE A 84 12.555 -0.779 -8.622 1.00 0.00 O ATOM 1371 CB ILE A 84 11.217 -1.563 -5.694 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.552 -2.296 -5.760 1.00 0.00 C ATOM 1373 CG2 ILE A 84 10.167 -2.432 -5.026 1.00 0.00 C ATOM 1374 CD1 ILE A 84 13.272 -2.284 -4.451 1.00 0.00 C ATOM 0 H ILE A 84 10.707 -3.133 -7.706 1.00 0.00 H new ATOM 0 HA ILE A 84 9.835 -0.545 -6.977 1.00 0.00 H new ATOM 0 HB ILE A 84 11.359 -0.662 -5.097 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.383 -3.327 -6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 84 13.180 -1.834 -6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.515 -2.728 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.237 -1.871 -4.931 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.993 -3.322 -5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 84 14.217 -2.819 -4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.468 -1.254 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.658 -2.771 -3.693 1.00 0.00 H new ATOM 1386 N ASP A 85 11.992 0.866 -7.234 1.00 0.00 N ATOM 1387 CA ASP A 85 13.096 1.698 -7.612 1.00 0.00 C ATOM 1388 C ASP A 85 14.211 1.261 -6.717 1.00 0.00 C ATOM 1389 O ASP A 85 14.046 1.240 -5.491 1.00 0.00 O ATOM 1390 CB ASP A 85 12.765 3.177 -7.419 1.00 0.00 C ATOM 1391 CG ASP A 85 13.854 4.089 -7.885 1.00 0.00 C ATOM 1392 OD1 ASP A 85 14.049 4.217 -9.107 1.00 0.00 O ATOM 1393 OD2 ASP A 85 14.522 4.723 -7.048 1.00 0.00 O ATOM 0 H ASP A 85 11.351 1.292 -6.565 1.00 0.00 H new ATOM 0 HA ASP A 85 13.353 1.596 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 85 11.848 3.411 -7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.570 3.364 -6.363 1.00 0.00 H new