USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 490 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 36 THR OG1 : rot -134:sc= -0.327 USER MOD Set 1.2: A 38 ASN : amide:sc= 0.207 K(o=-0.12,f=-2.4) USER MOD Single : A 20 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.3!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.0022) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -89:sc= -0.439! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 110:sc= -2.97! USER MOD Single : A 48 MET CE :methyl -131:sc= -6.47! (180deg=-8.42!) USER MOD Single : A 55 GLN : amide:sc=-0.00953 X(o=-0.0095,f=-0.16) USER MOD Single : A 63 SER OG : rot 85:sc= 1.15 USER MOD Single : A 69 GLN : amide:sc= -2.46 K(o=-2.5,f=-1.4) USER MOD Single : A 70 HIS : no HD1:sc= -0.626 K(o=-0.63,f=-0.028) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -148:sc= 1.12 (180deg=0.379) USER MOD ----------------------------------------------------------------- ATOM 291 N GLN A 20 -9.370 -6.869 -9.707 1.00 0.00 N ATOM 292 CA GLN A 20 -9.318 -5.425 -9.899 1.00 0.00 C ATOM 293 C GLN A 20 -8.736 -4.736 -8.668 1.00 0.00 C ATOM 294 O GLN A 20 -8.037 -3.730 -8.778 1.00 0.00 O ATOM 295 CB GLN A 20 -10.717 -4.885 -10.197 1.00 0.00 C ATOM 296 CG GLN A 20 -10.843 -4.263 -11.577 1.00 0.00 C ATOM 297 CD GLN A 20 -12.242 -4.382 -12.145 1.00 0.00 C ATOM 298 OE1 GLN A 20 -13.113 -5.021 -11.555 1.00 0.00 O ATOM 299 NE2 GLN A 20 -12.465 -3.767 -13.301 1.00 0.00 N ATOM 0 HA GLN A 20 -8.668 -5.213 -10.748 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.439 -5.697 -10.105 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.978 -4.140 -9.446 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.565 -3.210 -11.524 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.138 -4.745 -12.254 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.714 -3.248 -13.756 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.387 -3.814 -13.734 1.00 0.00 H new ATOM 308 N ARG A 21 -9.032 -5.288 -7.496 1.00 0.00 N ATOM 309 CA ARG A 21 -8.541 -4.734 -6.239 1.00 0.00 C ATOM 310 C ARG A 21 -7.025 -4.878 -6.137 1.00 0.00 C ATOM 311 O ARG A 21 -6.298 -3.885 -6.112 1.00 0.00 O ATOM 312 CB ARG A 21 -9.211 -5.434 -5.055 1.00 0.00 C ATOM 313 CG ARG A 21 -10.704 -5.163 -4.958 1.00 0.00 C ATOM 314 CD ARG A 21 -11.288 -5.701 -3.663 1.00 0.00 C ATOM 315 NE ARG A 21 -12.698 -6.064 -3.810 1.00 0.00 N ATOM 316 CZ ARG A 21 -13.692 -5.523 -3.105 1.00 0.00 C ATOM 317 NH1 ARG A 21 -13.449 -4.598 -2.184 1.00 0.00 N ATOM 318 NH2 ARG A 21 -14.941 -5.915 -3.320 1.00 0.00 N ATOM 0 H ARG A 21 -9.611 -6.121 -7.390 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.790 -3.673 -6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.049 -6.509 -5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.730 -5.111 -4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.884 -4.090 -5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.213 -5.622 -5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.720 -6.574 -3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.186 -4.950 -2.879 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.936 -6.779 -4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.492 -4.292 -2.008 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.219 -4.193 -1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.138 -6.628 -4.022 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.704 -5.504 -2.783 1.00 0.00 H new ATOM 332 N GLN A 22 -6.557 -6.121 -6.079 1.00 0.00 N ATOM 333 CA GLN A 22 -5.128 -6.396 -5.983 1.00 0.00 C ATOM 334 C GLN A 22 -4.379 -5.828 -7.184 1.00 0.00 C ATOM 335 O GLN A 22 -3.169 -5.616 -7.125 1.00 0.00 O ATOM 336 CB GLN A 22 -4.882 -7.904 -5.877 1.00 0.00 C ATOM 337 CG GLN A 22 -4.742 -8.399 -4.445 1.00 0.00 C ATOM 338 CD GLN A 22 -4.074 -9.760 -4.361 1.00 0.00 C ATOM 339 OE1 GLN A 22 -4.567 -10.741 -4.915 1.00 0.00 O ATOM 340 NE2 GLN A 22 -2.945 -9.825 -3.661 1.00 0.00 N ATOM 0 H GLN A 22 -7.146 -6.953 -6.097 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.751 -5.910 -5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.706 -8.433 -6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.977 -8.156 -6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.162 -7.677 -3.870 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.729 -8.454 -3.985 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.571 -8.986 -3.217 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.453 -10.714 -3.568 1.00 0.00 H new ATOM 349 N ALA A 23 -5.102 -5.583 -8.274 1.00 0.00 N ATOM 350 CA ALA A 23 -4.496 -5.039 -9.482 1.00 0.00 C ATOM 351 C ALA A 23 -3.969 -3.626 -9.248 1.00 0.00 C ATOM 352 O ALA A 23 -2.760 -3.412 -9.151 1.00 0.00 O ATOM 353 CB ALA A 23 -5.498 -5.051 -10.626 1.00 0.00 C ATOM 0 H ALA A 23 -6.105 -5.753 -8.344 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.649 -5.671 -9.749 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.032 -4.642 -11.522 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.818 -6.075 -10.819 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.363 -4.445 -10.358 1.00 0.00 H new ATOM 359 N LEU A 24 -4.880 -2.662 -9.159 1.00 0.00 N ATOM 360 CA LEU A 24 -4.496 -1.272 -8.940 1.00 0.00 C ATOM 361 C LEU A 24 -3.824 -1.096 -7.582 1.00 0.00 C ATOM 362 O LEU A 24 -2.910 -0.286 -7.432 1.00 0.00 O ATOM 363 CB LEU A 24 -5.713 -0.354 -9.047 1.00 0.00 C ATOM 364 CG LEU A 24 -5.969 0.224 -10.438 1.00 0.00 C ATOM 365 CD1 LEU A 24 -4.788 1.066 -10.901 1.00 0.00 C ATOM 366 CD2 LEU A 24 -6.250 -0.894 -11.424 1.00 0.00 C ATOM 0 H LEU A 24 -5.885 -2.817 -9.235 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.780 -0.998 -9.715 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.597 -0.910 -8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.589 0.471 -8.345 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.843 0.873 -10.388 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.994 1.467 -11.894 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.632 1.888 -10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.892 0.447 -10.938 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.431 -0.471 -12.412 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.392 -1.564 -11.468 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.129 -1.451 -11.101 1.00 0.00 H new ATOM 378 N GLY A 25 -4.274 -1.859 -6.591 1.00 0.00 N ATOM 379 CA GLY A 25 -3.683 -1.762 -5.271 1.00 0.00 C ATOM 380 C GLY A 25 -2.210 -2.124 -5.301 1.00 0.00 C ATOM 381 O GLY A 25 -1.385 -1.503 -4.622 1.00 0.00 O ATOM 0 H GLY A 25 -5.031 -2.537 -6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.803 -0.748 -4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.209 -2.425 -4.585 1.00 0.00 H new ATOM 385 N GLU A 26 -1.874 -3.119 -6.119 1.00 0.00 N ATOM 386 CA GLU A 26 -0.492 -3.549 -6.263 1.00 0.00 C ATOM 387 C GLU A 26 0.367 -2.369 -6.704 1.00 0.00 C ATOM 388 O GLU A 26 1.545 -2.278 -6.357 1.00 0.00 O ATOM 389 CB GLU A 26 -0.385 -4.688 -7.283 1.00 0.00 C ATOM 390 CG GLU A 26 0.007 -6.024 -6.670 1.00 0.00 C ATOM 391 CD GLU A 26 1.508 -6.236 -6.638 1.00 0.00 C ATOM 392 OE1 GLU A 26 2.136 -6.198 -7.718 1.00 0.00 O ATOM 393 OE2 GLU A 26 2.056 -6.439 -5.535 1.00 0.00 O ATOM 0 H GLU A 26 -2.541 -3.639 -6.689 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.136 -3.916 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.342 -4.799 -7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.350 -4.417 -8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.386 -6.082 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.457 -6.830 -7.238 1.00 0.00 H new ATOM 400 N GLN A 27 -0.240 -1.458 -7.466 1.00 0.00 N ATOM 401 CA GLN A 27 0.466 -0.278 -7.940 1.00 0.00 C ATOM 402 C GLN A 27 0.900 0.579 -6.758 1.00 0.00 C ATOM 403 O GLN A 27 1.944 1.229 -6.800 1.00 0.00 O ATOM 404 CB GLN A 27 -0.405 0.523 -8.911 1.00 0.00 C ATOM 405 CG GLN A 27 -0.025 0.319 -10.370 1.00 0.00 C ATOM 406 CD GLN A 27 -0.795 1.223 -11.311 1.00 0.00 C ATOM 407 OE1 GLN A 27 -1.355 0.767 -12.309 1.00 0.00 O ATOM 408 NE2 GLN A 27 -0.827 2.514 -11.002 1.00 0.00 N ATOM 0 H GLN A 27 -1.214 -1.518 -7.764 1.00 0.00 H new ATOM 0 HA GLN A 27 1.357 -0.596 -8.481 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.448 0.239 -8.771 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.328 1.583 -8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.043 0.502 -10.491 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.204 -0.720 -10.645 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.350 2.850 -10.166 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.329 3.169 -11.601 1.00 0.00 H new ATOM 417 N LEU A 28 0.108 0.545 -5.688 1.00 0.00 N ATOM 418 CA LEU A 28 0.435 1.287 -4.476 1.00 0.00 C ATOM 419 C LEU A 28 1.804 0.846 -3.973 1.00 0.00 C ATOM 420 O LEU A 28 2.568 1.638 -3.420 1.00 0.00 O ATOM 421 CB LEU A 28 -0.629 1.045 -3.396 1.00 0.00 C ATOM 422 CG LEU A 28 -0.762 2.145 -2.337 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.595 3.301 -2.864 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.378 1.590 -1.056 1.00 0.00 C ATOM 0 H LEU A 28 -0.761 0.013 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 28 0.456 2.353 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.595 0.918 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.401 0.106 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 28 0.237 2.515 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.677 4.070 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.116 3.721 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.591 2.943 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.463 2.388 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.368 1.189 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.743 0.797 -0.661 1.00 0.00 H new ATOM 436 N TYR A 29 2.109 -0.434 -4.187 1.00 0.00 N ATOM 437 CA TYR A 29 3.391 -1.000 -3.776 1.00 0.00 C ATOM 438 C TYR A 29 4.489 -0.652 -4.784 1.00 0.00 C ATOM 439 O TYR A 29 5.601 -0.292 -4.401 1.00 0.00 O ATOM 440 CB TYR A 29 3.275 -2.521 -3.621 1.00 0.00 C ATOM 441 CG TYR A 29 4.583 -3.208 -3.280 1.00 0.00 C ATOM 442 CD1 TYR A 29 5.250 -2.929 -2.093 1.00 0.00 C ATOM 443 CD2 TYR A 29 5.150 -4.131 -4.151 1.00 0.00 C ATOM 444 CE1 TYR A 29 6.445 -3.554 -1.783 1.00 0.00 C ATOM 445 CE2 TYR A 29 6.343 -4.759 -3.847 1.00 0.00 C ATOM 446 CZ TYR A 29 6.986 -4.466 -2.664 1.00 0.00 C ATOM 447 OH TYR A 29 8.175 -5.088 -2.361 1.00 0.00 O ATOM 0 H TYR A 29 1.484 -1.098 -4.643 1.00 0.00 H new ATOM 0 HA TYR A 29 3.662 -0.567 -2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.546 -2.742 -2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.886 -2.942 -4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.829 -2.214 -1.402 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.650 -4.361 -5.080 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.951 -3.329 -0.856 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.769 -5.476 -4.533 1.00 0.00 H new ATOM 0 HH TYR A 29 8.417 -5.702 -3.086 1.00 0.00 H new ATOM 457 N LYS A 30 4.178 -0.769 -6.072 1.00 0.00 N ATOM 458 CA LYS A 30 5.151 -0.467 -7.123 1.00 0.00 C ATOM 459 C LYS A 30 5.575 0.995 -7.071 1.00 0.00 C ATOM 460 O LYS A 30 6.738 1.327 -7.296 1.00 0.00 O ATOM 461 CB LYS A 30 4.570 -0.776 -8.501 1.00 0.00 C ATOM 462 CG LYS A 30 3.947 -2.156 -8.609 1.00 0.00 C ATOM 463 CD LYS A 30 2.789 -2.160 -9.595 1.00 0.00 C ATOM 464 CE LYS A 30 3.191 -2.769 -10.927 1.00 0.00 C ATOM 465 NZ LYS A 30 2.479 -2.125 -12.067 1.00 0.00 N ATOM 0 H LYS A 30 3.265 -1.069 -6.414 1.00 0.00 H new ATOM 0 HA LYS A 30 6.025 -1.095 -6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.816 -0.027 -8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.360 -0.685 -9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.702 -2.875 -8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.595 -2.477 -7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.954 -2.721 -9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.440 -1.139 -9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.267 -2.664 -11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.973 -3.837 -10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.780 -2.568 -12.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.453 -2.247 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.707 -1.111 -12.090 1.00 0.00 H new ATOM 479 N LYS A 31 4.617 1.865 -6.780 1.00 0.00 N ATOM 480 CA LYS A 31 4.876 3.296 -6.706 1.00 0.00 C ATOM 481 C LYS A 31 5.899 3.600 -5.615 1.00 0.00 C ATOM 482 O LYS A 31 6.760 4.465 -5.784 1.00 0.00 O ATOM 483 CB LYS A 31 3.572 4.042 -6.429 1.00 0.00 C ATOM 484 CG LYS A 31 3.523 5.448 -7.006 1.00 0.00 C ATOM 485 CD LYS A 31 2.709 5.495 -8.289 1.00 0.00 C ATOM 486 CE LYS A 31 3.172 6.622 -9.197 1.00 0.00 C ATOM 487 NZ LYS A 31 2.983 6.297 -10.639 1.00 0.00 N ATOM 0 H LYS A 31 3.650 1.603 -6.591 1.00 0.00 H new ATOM 0 HA LYS A 31 5.284 3.629 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.743 3.465 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.421 4.098 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.089 6.128 -6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.537 5.797 -7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.798 4.543 -8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.654 5.629 -8.048 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.620 7.531 -8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.225 6.829 -9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.312 7.094 -11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.530 5.445 -10.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.975 6.125 -10.827 1.00 0.00 H new ATOM 501 N VAL A 32 5.813 2.874 -4.503 1.00 0.00 N ATOM 502 CA VAL A 32 6.742 3.062 -3.398 1.00 0.00 C ATOM 503 C VAL A 32 8.059 2.350 -3.678 1.00 0.00 C ATOM 504 O VAL A 32 9.133 2.885 -3.404 1.00 0.00 O ATOM 505 CB VAL A 32 6.154 2.571 -2.059 1.00 0.00 C ATOM 506 CG1 VAL A 32 4.964 3.428 -1.652 1.00 0.00 C ATOM 507 CG2 VAL A 32 5.755 1.109 -2.131 1.00 0.00 C ATOM 0 H VAL A 32 5.110 2.152 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 32 6.923 4.133 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 32 6.931 2.667 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.562 3.067 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.283 4.464 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.193 3.368 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.345 0.796 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.003 0.975 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.631 0.504 -2.366 1.00 0.00 H new ATOM 517 N SER A 33 7.974 1.148 -4.241 1.00 0.00 N ATOM 518 CA SER A 33 9.164 0.377 -4.576 1.00 0.00 C ATOM 519 C SER A 33 9.841 0.920 -5.835 1.00 0.00 C ATOM 520 O SER A 33 10.793 0.323 -6.340 1.00 0.00 O ATOM 521 CB SER A 33 8.804 -1.096 -4.766 1.00 0.00 C ATOM 522 OG SER A 33 7.756 -1.247 -5.705 1.00 0.00 O ATOM 0 H SER A 33 7.094 0.688 -4.474 1.00 0.00 H new ATOM 0 HA SER A 33 9.867 0.469 -3.748 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.681 -1.647 -5.104 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.505 -1.527 -3.810 1.00 0.00 H new ATOM 0 HG SER A 33 6.893 -1.201 -5.242 1.00 0.00 H new ATOM 528 N ALA A 34 9.351 2.053 -6.339 1.00 0.00 N ATOM 529 CA ALA A 34 9.916 2.668 -7.534 1.00 0.00 C ATOM 530 C ALA A 34 11.387 3.032 -7.331 1.00 0.00 C ATOM 531 O ALA A 34 12.077 3.403 -8.280 1.00 0.00 O ATOM 532 CB ALA A 34 9.113 3.900 -7.920 1.00 0.00 C ATOM 0 H ALA A 34 8.564 2.561 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 34 9.862 1.941 -8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.545 4.350 -8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.081 3.613 -8.121 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.137 4.621 -7.103 1.00 0.00 H new ATOM 538 N LYS A 35 11.865 2.924 -6.092 1.00 0.00 N ATOM 539 CA LYS A 35 13.251 3.244 -5.779 1.00 0.00 C ATOM 540 C LYS A 35 14.078 1.972 -5.577 1.00 0.00 C ATOM 541 O LYS A 35 15.305 2.012 -5.628 1.00 0.00 O ATOM 542 CB LYS A 35 13.320 4.113 -4.521 1.00 0.00 C ATOM 543 CG LYS A 35 14.128 5.387 -4.705 1.00 0.00 C ATOM 544 CD LYS A 35 13.841 6.392 -3.601 1.00 0.00 C ATOM 545 CE LYS A 35 14.524 7.722 -3.869 1.00 0.00 C ATOM 546 NZ LYS A 35 13.684 8.875 -3.439 1.00 0.00 N ATOM 0 H LYS A 35 11.311 2.618 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 35 13.669 3.795 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.307 4.376 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.756 3.530 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.191 5.147 -4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.894 5.831 -5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.765 6.545 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.182 5.992 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.478 7.752 -3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.743 7.810 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.186 9.764 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.783 8.861 -3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.496 8.806 -2.419 1.00 0.00 H new ATOM 560 N THR A 36 13.401 0.845 -5.353 1.00 0.00 N ATOM 561 CA THR A 36 14.092 -0.426 -5.152 1.00 0.00 C ATOM 562 C THR A 36 13.105 -1.565 -4.921 1.00 0.00 C ATOM 563 O THR A 36 11.911 -1.336 -4.725 1.00 0.00 O ATOM 564 CB THR A 36 15.054 -0.328 -3.967 1.00 0.00 C ATOM 565 OG1 THR A 36 15.602 -1.599 -3.662 1.00 0.00 O ATOM 566 CG2 THR A 36 14.402 0.205 -2.708 1.00 0.00 C ATOM 0 H THR A 36 12.384 0.787 -5.307 1.00 0.00 H new ATOM 0 HA THR A 36 14.657 -0.641 -6.059 1.00 0.00 H new ATOM 0 HB THR A 36 15.828 0.373 -4.280 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.566 -1.747 -2.694 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.140 0.249 -1.907 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.011 1.205 -2.896 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.586 -0.455 -2.414 1.00 0.00 H new ATOM 574 N SER A 37 13.615 -2.793 -4.940 1.00 0.00 N ATOM 575 CA SER A 37 12.782 -3.971 -4.726 1.00 0.00 C ATOM 576 C SER A 37 12.883 -4.444 -3.278 1.00 0.00 C ATOM 577 O SER A 37 12.899 -5.644 -3.003 1.00 0.00 O ATOM 578 CB SER A 37 13.200 -5.096 -5.677 1.00 0.00 C ATOM 579 OG SER A 37 13.764 -4.573 -6.868 1.00 0.00 O ATOM 0 H SER A 37 14.601 -2.998 -5.101 1.00 0.00 H new ATOM 0 HA SER A 37 11.746 -3.701 -4.932 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.923 -5.745 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.334 -5.711 -5.921 1.00 0.00 H new ATOM 0 HG SER A 37 14.024 -5.311 -7.458 1.00 0.00 H new ATOM 585 N ASN A 38 12.941 -3.488 -2.359 1.00 0.00 N ATOM 586 CA ASN A 38 13.027 -3.799 -0.937 1.00 0.00 C ATOM 587 C ASN A 38 11.656 -4.176 -0.380 1.00 0.00 C ATOM 588 O ASN A 38 10.802 -3.315 -0.165 1.00 0.00 O ATOM 589 CB ASN A 38 13.613 -2.618 -0.163 1.00 0.00 C ATOM 590 CG ASN A 38 15.090 -2.415 -0.445 1.00 0.00 C ATOM 591 OD1 ASN A 38 15.666 -3.080 -1.306 1.00 0.00 O ATOM 592 ND2 ASN A 38 15.711 -1.495 0.283 1.00 0.00 N ATOM 0 H ASN A 38 12.930 -2.491 -2.573 1.00 0.00 H new ATOM 0 HA ASN A 38 13.691 -4.655 -0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.068 -1.711 -0.424 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.469 -2.780 0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.705 -1.316 0.139 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.194 -0.967 0.986 1.00 0.00 H new ATOM 599 N GLU A 39 11.451 -5.468 -0.155 1.00 0.00 N ATOM 600 CA GLU A 39 10.183 -5.969 0.368 1.00 0.00 C ATOM 601 C GLU A 39 9.837 -5.340 1.715 1.00 0.00 C ATOM 602 O GLU A 39 8.664 -5.143 2.033 1.00 0.00 O ATOM 603 CB GLU A 39 10.245 -7.489 0.513 1.00 0.00 C ATOM 604 CG GLU A 39 8.909 -8.174 0.286 1.00 0.00 C ATOM 605 CD GLU A 39 9.057 -9.651 -0.013 1.00 0.00 C ATOM 606 OE1 GLU A 39 9.853 -10.320 0.679 1.00 0.00 O ATOM 607 OE2 GLU A 39 8.376 -10.141 -0.939 1.00 0.00 O ATOM 0 H GLU A 39 12.149 -6.192 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 39 9.402 -5.695 -0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.972 -7.884 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.606 -7.736 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.284 -8.047 1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.392 -7.689 -0.542 1.00 0.00 H new ATOM 614 N GLU A 40 10.858 -5.025 2.503 1.00 0.00 N ATOM 615 CA GLU A 40 10.647 -4.417 3.814 1.00 0.00 C ATOM 616 C GLU A 40 10.470 -2.911 3.692 1.00 0.00 C ATOM 617 O GLU A 40 9.895 -2.275 4.569 1.00 0.00 O ATOM 618 CB GLU A 40 11.822 -4.722 4.742 1.00 0.00 C ATOM 619 CG GLU A 40 12.100 -6.207 4.898 1.00 0.00 C ATOM 620 CD GLU A 40 13.512 -6.582 4.494 1.00 0.00 C ATOM 621 OE1 GLU A 40 14.418 -5.735 4.641 1.00 0.00 O ATOM 622 OE2 GLU A 40 13.711 -7.724 4.028 1.00 0.00 O ATOM 0 H GLU A 40 11.837 -5.179 2.260 1.00 0.00 H new ATOM 0 HA GLU A 40 9.738 -4.844 4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.716 -4.231 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.621 -4.293 5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.934 -6.497 5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.391 -6.771 4.292 1.00 0.00 H new ATOM 629 N ALA A 41 10.982 -2.348 2.607 1.00 0.00 N ATOM 630 CA ALA A 41 10.895 -0.916 2.373 1.00 0.00 C ATOM 631 C ALA A 41 9.527 -0.499 1.850 1.00 0.00 C ATOM 632 O ALA A 41 8.765 0.174 2.543 1.00 0.00 O ATOM 633 CB ALA A 41 11.962 -0.497 1.389 1.00 0.00 C ATOM 0 H ALA A 41 11.464 -2.865 1.872 1.00 0.00 H new ATOM 0 HA ALA A 41 11.047 -0.418 3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.895 0.577 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.945 -0.738 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.817 -1.027 0.448 1.00 0.00 H new ATOM 639 N ALA A 42 9.235 -0.889 0.618 1.00 0.00 N ATOM 640 CA ALA A 42 7.973 -0.545 -0.017 1.00 0.00 C ATOM 641 C ALA A 42 6.789 -1.122 0.745 1.00 0.00 C ATOM 642 O ALA A 42 5.757 -0.466 0.886 1.00 0.00 O ATOM 643 CB ALA A 42 7.964 -1.023 -1.457 1.00 0.00 C ATOM 0 H ALA A 42 9.860 -1.447 0.036 1.00 0.00 H new ATOM 0 HA ALA A 42 7.875 0.541 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.014 -0.760 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.779 -0.548 -2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.092 -2.105 -1.482 1.00 0.00 H new ATOM 649 N GLY A 43 6.938 -2.341 1.248 1.00 0.00 N ATOM 650 CA GLY A 43 5.862 -2.956 1.998 1.00 0.00 C ATOM 651 C GLY A 43 5.585 -2.219 3.291 1.00 0.00 C ATOM 652 O GLY A 43 4.469 -2.256 3.810 1.00 0.00 O ATOM 0 H GLY A 43 7.779 -2.911 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.958 -2.974 1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.118 -3.992 2.218 1.00 0.00 H new ATOM 656 N LYS A 44 6.608 -1.544 3.811 1.00 0.00 N ATOM 657 CA LYS A 44 6.472 -0.791 5.054 1.00 0.00 C ATOM 658 C LYS A 44 5.617 0.448 4.845 1.00 0.00 C ATOM 659 O LYS A 44 4.572 0.611 5.476 1.00 0.00 O ATOM 660 CB LYS A 44 7.847 -0.384 5.591 1.00 0.00 C ATOM 661 CG LYS A 44 7.939 -0.423 7.110 1.00 0.00 C ATOM 662 CD LYS A 44 7.750 -1.838 7.645 1.00 0.00 C ATOM 663 CE LYS A 44 8.996 -2.348 8.356 1.00 0.00 C ATOM 664 NZ LYS A 44 8.855 -3.772 8.774 1.00 0.00 N ATOM 0 H LYS A 44 7.537 -1.504 3.392 1.00 0.00 H new ATOM 0 HA LYS A 44 5.982 -1.437 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.603 -1.047 5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.080 0.623 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.909 -0.040 7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.181 0.233 7.538 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.906 -1.856 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.503 -2.507 6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.857 -2.247 7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.192 -1.730 9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.724 -4.081 9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.049 -3.865 9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.693 -4.366 7.935 1.00 0.00 H new ATOM 678 N ILE A 45 6.071 1.325 3.962 1.00 0.00 N ATOM 679 CA ILE A 45 5.349 2.551 3.681 1.00 0.00 C ATOM 680 C ILE A 45 4.019 2.267 2.995 1.00 0.00 C ATOM 681 O ILE A 45 3.037 2.977 3.219 1.00 0.00 O ATOM 682 CB ILE A 45 6.187 3.521 2.834 1.00 0.00 C ATOM 683 CG1 ILE A 45 6.701 2.847 1.563 1.00 0.00 C ATOM 684 CG2 ILE A 45 7.348 4.048 3.666 1.00 0.00 C ATOM 685 CD1 ILE A 45 7.548 3.764 0.701 1.00 0.00 C ATOM 0 H ILE A 45 6.934 1.209 3.431 1.00 0.00 H new ATOM 0 HA ILE A 45 5.147 3.027 4.641 1.00 0.00 H new ATOM 0 HB ILE A 45 5.553 4.353 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.289 1.971 1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.852 2.492 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.943 4.736 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.961 4.571 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.972 3.215 3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.881 3.225 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.956 4.628 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.416 4.099 1.270 1.00 0.00 H new ATOM 697 N THR A 46 3.970 1.215 2.182 1.00 0.00 N ATOM 698 CA THR A 46 2.727 0.855 1.510 1.00 0.00 C ATOM 699 C THR A 46 1.655 0.575 2.556 1.00 0.00 C ATOM 700 O THR A 46 0.477 0.872 2.351 1.00 0.00 O ATOM 701 CB THR A 46 2.916 -0.365 0.599 1.00 0.00 C ATOM 702 OG1 THR A 46 3.774 -0.051 -0.482 1.00 0.00 O ATOM 703 CG2 THR A 46 1.619 -0.882 0.009 1.00 0.00 C ATOM 0 H THR A 46 4.762 0.607 1.975 1.00 0.00 H new ATOM 0 HA THR A 46 2.417 1.689 0.880 1.00 0.00 H new ATOM 0 HB THR A 46 3.342 -1.138 1.239 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.625 -0.524 -0.372 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.826 -1.745 -0.624 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.945 -1.176 0.814 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.152 -0.098 -0.587 1.00 0.00 H new ATOM 711 N GLY A 47 2.079 0.014 3.686 1.00 0.00 N ATOM 712 CA GLY A 47 1.153 -0.282 4.759 1.00 0.00 C ATOM 713 C GLY A 47 0.511 0.977 5.309 1.00 0.00 C ATOM 714 O GLY A 47 -0.658 0.967 5.696 1.00 0.00 O ATOM 0 H GLY A 47 3.049 -0.240 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.378 -0.957 4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.678 -0.802 5.560 1.00 0.00 H new ATOM 718 N MET A 48 1.274 2.069 5.329 1.00 0.00 N ATOM 719 CA MET A 48 0.765 3.346 5.818 1.00 0.00 C ATOM 720 C MET A 48 -0.307 3.865 4.871 1.00 0.00 C ATOM 721 O MET A 48 -1.427 4.167 5.284 1.00 0.00 O ATOM 722 CB MET A 48 1.900 4.365 5.942 1.00 0.00 C ATOM 723 CG MET A 48 2.822 4.115 7.126 1.00 0.00 C ATOM 724 SD MET A 48 3.861 5.539 7.509 1.00 0.00 S ATOM 725 CE MET A 48 5.490 4.798 7.442 1.00 0.00 C ATOM 0 H MET A 48 2.244 2.094 5.013 1.00 0.00 H new ATOM 0 HA MET A 48 0.330 3.197 6.806 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.489 4.352 5.025 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.472 5.363 6.031 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.223 3.861 8.001 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.456 3.254 6.913 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.052 5.074 8.334 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.395 3.713 7.394 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.016 5.156 6.557 1.00 0.00 H new ATOM 735 N ILE A 49 0.038 3.934 3.586 1.00 0.00 N ATOM 736 CA ILE A 49 -0.900 4.381 2.562 1.00 0.00 C ATOM 737 C ILE A 49 -1.977 3.320 2.331 1.00 0.00 C ATOM 738 O ILE A 49 -2.907 3.520 1.549 1.00 0.00 O ATOM 739 CB ILE A 49 -0.184 4.672 1.225 1.00 0.00 C ATOM 740 CG1 ILE A 49 1.097 5.474 1.465 1.00 0.00 C ATOM 741 CG2 ILE A 49 -1.110 5.418 0.273 1.00 0.00 C ATOM 742 CD1 ILE A 49 2.261 5.021 0.610 1.00 0.00 C ATOM 0 H ILE A 49 0.961 3.685 3.231 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.357 5.303 2.920 1.00 0.00 H new ATOM 0 HB ILE A 49 0.086 3.721 0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.899 6.528 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.375 5.394 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.588 5.614 -0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.994 4.812 0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.412 6.363 0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.135 5.633 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.485 3.976 0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.002 5.128 -0.443 1.00 0.00 H new ATOM 754 N LEU A 50 -1.841 2.195 3.034 1.00 0.00 N ATOM 755 CA LEU A 50 -2.788 1.093 2.935 1.00 0.00 C ATOM 756 C LEU A 50 -4.113 1.433 3.625 1.00 0.00 C ATOM 757 O LEU A 50 -4.944 0.553 3.847 1.00 0.00 O ATOM 758 CB LEU A 50 -2.182 -0.167 3.558 1.00 0.00 C ATOM 759 CG LEU A 50 -2.404 -1.461 2.772 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.886 -1.789 2.698 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.806 -1.350 1.378 1.00 0.00 C ATOM 0 H LEU A 50 -1.074 2.026 3.684 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.995 0.916 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.109 -0.013 3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.598 -0.293 4.558 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.899 -2.274 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.027 -2.712 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.282 -1.914 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.414 -0.976 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.974 -2.280 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.280 -0.527 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.735 -1.164 1.455 1.00 0.00 H new ATOM 773 N ASP A 51 -4.312 2.710 3.952 1.00 0.00 N ATOM 774 CA ASP A 51 -5.540 3.148 4.598 1.00 0.00 C ATOM 775 C ASP A 51 -6.621 3.435 3.561 1.00 0.00 C ATOM 776 O ASP A 51 -7.809 3.437 3.880 1.00 0.00 O ATOM 777 CB ASP A 51 -5.287 4.395 5.450 1.00 0.00 C ATOM 778 CG ASP A 51 -5.358 4.105 6.937 1.00 0.00 C ATOM 779 OD1 ASP A 51 -4.554 3.279 7.420 1.00 0.00 O ATOM 780 OD2 ASP A 51 -6.220 4.700 7.618 1.00 0.00 O ATOM 0 H ASP A 51 -3.637 3.455 3.779 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.884 2.344 5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.305 4.803 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.021 5.160 5.197 1.00 0.00 H new ATOM 785 N LEU A 52 -6.212 3.660 2.313 1.00 0.00 N ATOM 786 CA LEU A 52 -7.166 3.922 1.250 1.00 0.00 C ATOM 787 C LEU A 52 -7.905 2.639 0.895 1.00 0.00 C ATOM 788 O LEU A 52 -7.288 1.581 0.773 1.00 0.00 O ATOM 789 CB LEU A 52 -6.451 4.474 0.019 1.00 0.00 C ATOM 790 CG LEU A 52 -6.271 5.990 0.008 1.00 0.00 C ATOM 791 CD1 LEU A 52 -5.439 6.435 1.198 1.00 0.00 C ATOM 792 CD2 LEU A 52 -5.622 6.434 -1.290 1.00 0.00 C ATOM 0 H LEU A 52 -5.235 3.665 2.020 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.885 4.665 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.470 4.005 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.011 4.182 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.253 6.457 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.321 7.518 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.940 6.145 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.458 5.962 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.500 7.517 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.646 5.959 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.254 6.145 -2.130 1.00 0.00 H new ATOM 804 N PRO A 53 -9.237 2.698 0.723 1.00 0.00 N ATOM 805 CA PRO A 53 -10.018 1.514 0.383 1.00 0.00 C ATOM 806 C PRO A 53 -9.459 0.816 -0.851 1.00 0.00 C ATOM 807 O PRO A 53 -8.741 1.423 -1.646 1.00 0.00 O ATOM 808 CB PRO A 53 -11.425 2.052 0.117 1.00 0.00 C ATOM 809 CG PRO A 53 -11.479 3.376 0.803 1.00 0.00 C ATOM 810 CD PRO A 53 -10.071 3.908 0.838 1.00 0.00 C ATOM 0 HA PRO A 53 -9.999 0.768 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.610 2.156 -0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.185 1.375 0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.137 4.061 0.269 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.878 3.272 1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.885 4.602 0.018 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.869 4.447 1.764 1.00 0.00 H new ATOM 818 N PRO A 54 -9.765 -0.476 -1.019 1.00 0.00 N ATOM 819 CA PRO A 54 -9.275 -1.262 -2.153 1.00 0.00 C ATOM 820 C PRO A 54 -9.388 -0.528 -3.490 1.00 0.00 C ATOM 821 O PRO A 54 -8.382 -0.246 -4.134 1.00 0.00 O ATOM 822 CB PRO A 54 -10.179 -2.494 -2.131 1.00 0.00 C ATOM 823 CG PRO A 54 -10.542 -2.665 -0.696 1.00 0.00 C ATOM 824 CD PRO A 54 -10.599 -1.280 -0.105 1.00 0.00 C ATOM 0 HA PRO A 54 -8.212 -1.486 -2.062 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.064 -2.348 -2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.662 -3.373 -2.517 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.503 -3.170 -0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.804 -3.278 -0.179 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.621 -0.905 -0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.209 -1.262 0.913 1.00 0.00 H new ATOM 832 N GLN A 55 -10.616 -0.232 -3.904 1.00 0.00 N ATOM 833 CA GLN A 55 -10.850 0.459 -5.171 1.00 0.00 C ATOM 834 C GLN A 55 -10.541 1.956 -5.080 1.00 0.00 C ATOM 835 O GLN A 55 -10.027 2.547 -6.029 1.00 0.00 O ATOM 836 CB GLN A 55 -12.292 0.248 -5.637 1.00 0.00 C ATOM 837 CG GLN A 55 -12.793 -1.174 -5.433 1.00 0.00 C ATOM 838 CD GLN A 55 -13.732 -1.633 -6.533 1.00 0.00 C ATOM 839 OE1 GLN A 55 -13.407 -1.554 -7.717 1.00 0.00 O ATOM 840 NE2 GLN A 55 -14.906 -2.121 -6.145 1.00 0.00 N ATOM 0 H GLN A 55 -11.464 -0.458 -3.384 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.167 0.027 -5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.944 0.935 -5.098 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.365 0.502 -6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.940 -1.851 -5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.306 -1.239 -4.474 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.136 -2.169 -5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.577 -2.448 -6.840 1.00 0.00 H new ATOM 849 N GLU A 56 -10.876 2.570 -3.945 1.00 0.00 N ATOM 850 CA GLU A 56 -10.653 4.006 -3.752 1.00 0.00 C ATOM 851 C GLU A 56 -9.167 4.361 -3.695 1.00 0.00 C ATOM 852 O GLU A 56 -8.807 5.537 -3.727 1.00 0.00 O ATOM 853 CB GLU A 56 -11.339 4.488 -2.471 1.00 0.00 C ATOM 854 CG GLU A 56 -12.667 5.186 -2.713 1.00 0.00 C ATOM 855 CD GLU A 56 -13.620 5.041 -1.542 1.00 0.00 C ATOM 856 OE1 GLU A 56 -14.241 3.966 -1.412 1.00 0.00 O ATOM 857 OE2 GLU A 56 -13.743 6.003 -0.753 1.00 0.00 O ATOM 0 H GLU A 56 -11.301 2.099 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.086 4.510 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.502 3.634 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.670 5.171 -1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.488 6.244 -2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.132 4.775 -3.609 1.00 0.00 H new ATOM 864 N VAL A 57 -8.305 3.354 -3.613 1.00 0.00 N ATOM 865 CA VAL A 57 -6.870 3.601 -3.558 1.00 0.00 C ATOM 866 C VAL A 57 -6.279 3.713 -4.962 1.00 0.00 C ATOM 867 O VAL A 57 -5.231 4.324 -5.156 1.00 0.00 O ATOM 868 CB VAL A 57 -6.135 2.501 -2.767 1.00 0.00 C ATOM 869 CG1 VAL A 57 -6.104 1.196 -3.545 1.00 0.00 C ATOM 870 CG2 VAL A 57 -4.726 2.952 -2.407 1.00 0.00 C ATOM 0 H VAL A 57 -8.571 2.370 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.728 4.549 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.685 2.324 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.580 0.438 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.124 0.864 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.586 1.349 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.223 2.162 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.168 3.164 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.777 3.853 -1.795 1.00 0.00 H new ATOM 880 N PHE A 58 -6.964 3.119 -5.938 1.00 0.00 N ATOM 881 CA PHE A 58 -6.510 3.154 -7.327 1.00 0.00 C ATOM 882 C PHE A 58 -6.117 4.575 -7.752 1.00 0.00 C ATOM 883 O PHE A 58 -5.028 4.791 -8.283 1.00 0.00 O ATOM 884 CB PHE A 58 -7.595 2.631 -8.277 1.00 0.00 C ATOM 885 CG PHE A 58 -8.050 1.218 -8.022 1.00 0.00 C ATOM 886 CD1 PHE A 58 -7.569 0.476 -6.953 1.00 0.00 C ATOM 887 CD2 PHE A 58 -8.981 0.635 -8.869 1.00 0.00 C ATOM 888 CE1 PHE A 58 -8.007 -0.819 -6.741 1.00 0.00 C ATOM 889 CE2 PHE A 58 -9.421 -0.653 -8.660 1.00 0.00 C ATOM 890 CZ PHE A 58 -8.936 -1.382 -7.595 1.00 0.00 C ATOM 0 H PHE A 58 -7.835 2.608 -5.793 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.634 2.509 -7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.460 3.291 -8.212 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.221 2.696 -9.299 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.846 0.913 -6.280 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.367 1.200 -9.705 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.623 -1.390 -5.908 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -10.146 -1.092 -9.330 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.282 -2.392 -7.428 1.00 0.00 H new ATOM 900 N PRO A 59 -7.007 5.566 -7.535 1.00 0.00 N ATOM 901 CA PRO A 59 -6.743 6.962 -7.912 1.00 0.00 C ATOM 902 C PRO A 59 -5.433 7.496 -7.342 1.00 0.00 C ATOM 903 O PRO A 59 -4.681 8.184 -8.034 1.00 0.00 O ATOM 904 CB PRO A 59 -7.933 7.723 -7.320 1.00 0.00 C ATOM 905 CG PRO A 59 -9.021 6.711 -7.238 1.00 0.00 C ATOM 906 CD PRO A 59 -8.341 5.409 -6.921 1.00 0.00 C ATOM 0 HA PRO A 59 -6.639 7.071 -8.992 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.695 8.130 -6.337 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.220 8.564 -7.952 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.743 6.974 -6.465 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.569 6.648 -8.178 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.272 5.242 -5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -8.880 4.560 -7.342 1.00 0.00 H new ATOM 914 N LEU A 60 -5.164 7.185 -6.079 1.00 0.00 N ATOM 915 CA LEU A 60 -3.943 7.648 -5.428 1.00 0.00 C ATOM 916 C LEU A 60 -2.710 6.994 -6.046 1.00 0.00 C ATOM 917 O LEU A 60 -1.758 7.678 -6.423 1.00 0.00 O ATOM 918 CB LEU A 60 -3.995 7.356 -3.925 1.00 0.00 C ATOM 919 CG LEU A 60 -2.659 7.505 -3.186 1.00 0.00 C ATOM 920 CD1 LEU A 60 -2.645 8.753 -2.330 1.00 0.00 C ATOM 921 CD2 LEU A 60 -2.376 6.281 -2.336 1.00 0.00 C ATOM 0 H LEU A 60 -5.771 6.617 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.871 8.725 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.723 8.025 -3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.361 6.339 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.873 7.597 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.686 8.832 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.793 9.629 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.446 8.698 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.424 6.408 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.172 6.156 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.329 5.398 -2.974 1.00 0.00 H new ATOM 933 N LEU A 61 -2.725 5.668 -6.134 1.00 0.00 N ATOM 934 CA LEU A 61 -1.595 4.929 -6.691 1.00 0.00 C ATOM 935 C LEU A 61 -1.363 5.260 -8.166 1.00 0.00 C ATOM 936 O LEU A 61 -0.353 4.855 -8.743 1.00 0.00 O ATOM 937 CB LEU A 61 -1.800 3.416 -6.533 1.00 0.00 C ATOM 938 CG LEU A 61 -3.210 2.907 -6.855 1.00 0.00 C ATOM 939 CD1 LEU A 61 -3.282 2.357 -8.269 1.00 0.00 C ATOM 940 CD2 LEU A 61 -3.632 1.845 -5.854 1.00 0.00 C ATOM 0 H LEU A 61 -3.503 5.084 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.712 5.237 -6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.089 2.901 -7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.557 3.139 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.897 3.750 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.293 2.003 -8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.024 3.143 -8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.580 1.530 -8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.635 1.494 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.935 1.008 -5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.629 2.270 -4.850 1.00 0.00 H new ATOM 952 N GLU A 62 -2.295 5.985 -8.778 1.00 0.00 N ATOM 953 CA GLU A 62 -2.174 6.348 -10.186 1.00 0.00 C ATOM 954 C GLU A 62 -1.773 7.814 -10.352 1.00 0.00 C ATOM 955 O GLU A 62 -1.336 8.225 -11.427 1.00 0.00 O ATOM 956 CB GLU A 62 -3.498 6.091 -10.910 1.00 0.00 C ATOM 957 CG GLU A 62 -3.570 4.733 -11.584 1.00 0.00 C ATOM 958 CD GLU A 62 -3.248 4.795 -13.065 1.00 0.00 C ATOM 959 OE1 GLU A 62 -2.552 5.745 -13.482 1.00 0.00 O ATOM 960 OE2 GLU A 62 -3.691 3.895 -13.807 1.00 0.00 O ATOM 0 H GLU A 62 -3.139 6.332 -8.323 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.391 5.729 -10.624 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.316 6.176 -10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.649 6.868 -11.660 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.875 4.052 -11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.569 4.319 -11.451 1.00 0.00 H new ATOM 967 N SER A 63 -1.936 8.600 -9.293 1.00 0.00 N ATOM 968 CA SER A 63 -1.596 10.016 -9.339 1.00 0.00 C ATOM 969 C SER A 63 -0.271 10.290 -8.635 1.00 0.00 C ATOM 970 O SER A 63 -0.128 10.028 -7.442 1.00 0.00 O ATOM 971 CB SER A 63 -2.709 10.842 -8.695 1.00 0.00 C ATOM 972 OG SER A 63 -3.983 10.431 -9.159 1.00 0.00 O ATOM 0 H SER A 63 -2.300 8.281 -8.395 1.00 0.00 H new ATOM 0 HA SER A 63 -1.490 10.304 -10.385 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.662 10.738 -7.611 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.560 11.898 -8.921 1.00 0.00 H new ATOM 0 HG SER A 63 -4.294 9.668 -8.628 1.00 0.00 H new ATOM 978 N ASP A 64 0.692 10.820 -9.382 1.00 0.00 N ATOM 979 CA ASP A 64 2.008 11.134 -8.835 1.00 0.00 C ATOM 980 C ASP A 64 1.903 12.140 -7.693 1.00 0.00 C ATOM 981 O ASP A 64 2.384 11.889 -6.588 1.00 0.00 O ATOM 982 CB ASP A 64 2.918 11.690 -9.931 1.00 0.00 C ATOM 983 CG ASP A 64 3.140 10.699 -11.060 1.00 0.00 C ATOM 984 OD1 ASP A 64 2.297 10.652 -11.981 1.00 0.00 O ATOM 985 OD2 ASP A 64 4.156 9.974 -11.022 1.00 0.00 O ATOM 0 H ASP A 64 0.585 11.042 -10.372 1.00 0.00 H new ATOM 0 HA ASP A 64 2.437 10.212 -8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.480 12.603 -10.334 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.880 11.963 -9.497 1.00 0.00 H new ATOM 990 N GLU A 65 1.273 13.278 -7.967 1.00 0.00 N ATOM 991 CA GLU A 65 1.111 14.320 -6.955 1.00 0.00 C ATOM 992 C GLU A 65 0.350 13.792 -5.748 1.00 0.00 C ATOM 993 O GLU A 65 0.799 13.927 -4.610 1.00 0.00 O ATOM 994 CB GLU A 65 0.371 15.526 -7.530 1.00 0.00 C ATOM 995 CG GLU A 65 0.302 16.702 -6.567 1.00 0.00 C ATOM 996 CD GLU A 65 -1.121 17.140 -6.278 1.00 0.00 C ATOM 997 OE1 GLU A 65 -1.990 16.259 -6.106 1.00 0.00 O ATOM 998 OE2 GLU A 65 -1.366 18.363 -6.220 1.00 0.00 O ATOM 0 H GLU A 65 0.868 13.503 -8.876 1.00 0.00 H new ATOM 0 HA GLU A 65 2.108 14.628 -6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.866 15.844 -8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.641 15.227 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.791 16.429 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.858 17.541 -6.985 1.00 0.00 H new ATOM 1005 N LEU A 66 -0.801 13.185 -6.004 1.00 0.00 N ATOM 1006 CA LEU A 66 -1.624 12.634 -4.938 1.00 0.00 C ATOM 1007 C LEU A 66 -0.832 11.617 -4.123 1.00 0.00 C ATOM 1008 O LEU A 66 -1.054 11.458 -2.923 1.00 0.00 O ATOM 1009 CB LEU A 66 -2.877 11.982 -5.525 1.00 0.00 C ATOM 1010 CG LEU A 66 -4.137 12.124 -4.672 1.00 0.00 C ATOM 1011 CD1 LEU A 66 -3.884 11.595 -3.271 1.00 0.00 C ATOM 1012 CD2 LEU A 66 -4.596 13.576 -4.623 1.00 0.00 C ATOM 0 H LEU A 66 -1.185 13.062 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.926 13.446 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.069 12.417 -6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.678 10.921 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.932 11.534 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.789 11.702 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.606 10.542 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.075 12.161 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.494 13.653 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.808 14.192 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.815 13.923 -5.633 1.00 0.00 H new ATOM 1024 N PHE A 67 0.100 10.941 -4.786 1.00 0.00 N ATOM 1025 CA PHE A 67 0.934 9.948 -4.126 1.00 0.00 C ATOM 1026 C PHE A 67 1.993 10.618 -3.265 1.00 0.00 C ATOM 1027 O PHE A 67 2.137 10.301 -2.087 1.00 0.00 O ATOM 1028 CB PHE A 67 1.609 9.036 -5.149 1.00 0.00 C ATOM 1029 CG PHE A 67 1.887 7.663 -4.615 1.00 0.00 C ATOM 1030 CD1 PHE A 67 0.897 6.695 -4.619 1.00 0.00 C ATOM 1031 CD2 PHE A 67 3.130 7.343 -4.098 1.00 0.00 C ATOM 1032 CE1 PHE A 67 1.144 5.432 -4.120 1.00 0.00 C ATOM 1033 CE2 PHE A 67 3.383 6.083 -3.596 1.00 0.00 C ATOM 1034 CZ PHE A 67 2.387 5.126 -3.605 1.00 0.00 C ATOM 0 H PHE A 67 0.296 11.064 -5.780 1.00 0.00 H new ATOM 0 HA PHE A 67 0.287 9.346 -3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.974 8.955 -6.031 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.545 9.491 -5.471 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.079 6.931 -5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.911 8.088 -4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.365 4.684 -4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.358 5.845 -3.197 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.581 4.140 -3.210 1.00 0.00 H new ATOM 1044 N GLU A 68 2.728 11.549 -3.859 1.00 0.00 N ATOM 1045 CA GLU A 68 3.780 12.273 -3.154 1.00 0.00 C ATOM 1046 C GLU A 68 3.343 12.676 -1.743 1.00 0.00 C ATOM 1047 O GLU A 68 4.067 12.447 -0.777 1.00 0.00 O ATOM 1048 CB GLU A 68 4.173 13.513 -3.952 1.00 0.00 C ATOM 1049 CG GLU A 68 5.228 13.240 -5.013 1.00 0.00 C ATOM 1050 CD GLU A 68 4.850 13.797 -6.372 1.00 0.00 C ATOM 1051 OE1 GLU A 68 4.719 15.033 -6.491 1.00 0.00 O ATOM 1052 OE2 GLU A 68 4.685 12.996 -7.315 1.00 0.00 O ATOM 0 H GLU A 68 2.614 11.823 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 68 4.639 11.609 -3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.284 13.924 -4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.546 14.274 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.176 13.676 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.384 12.164 -5.096 1.00 0.00 H new ATOM 1059 N GLN A 69 2.160 13.274 -1.634 1.00 0.00 N ATOM 1060 CA GLN A 69 1.635 13.709 -0.340 1.00 0.00 C ATOM 1061 C GLN A 69 1.506 12.532 0.627 1.00 0.00 C ATOM 1062 O GLN A 69 2.099 12.535 1.706 1.00 0.00 O ATOM 1063 CB GLN A 69 0.276 14.387 -0.526 1.00 0.00 C ATOM 1064 CG GLN A 69 -0.245 15.069 0.729 1.00 0.00 C ATOM 1065 CD GLN A 69 -0.841 14.094 1.729 1.00 0.00 C ATOM 1066 OE1 GLN A 69 -0.635 14.224 2.934 1.00 0.00 O ATOM 1067 NE2 GLN A 69 -1.586 13.110 1.233 1.00 0.00 N ATOM 0 H GLN A 69 1.546 13.469 -2.425 1.00 0.00 H new ATOM 0 HA GLN A 69 2.338 14.424 0.088 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.355 15.126 -1.324 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.450 13.642 -0.852 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.570 15.616 1.204 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.001 15.803 0.450 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.732 13.039 0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.012 12.427 1.860 1.00 0.00 H new ATOM 1076 N HIS A 70 0.721 11.536 0.238 1.00 0.00 N ATOM 1077 CA HIS A 70 0.513 10.362 1.082 1.00 0.00 C ATOM 1078 C HIS A 70 1.827 9.615 1.285 1.00 0.00 C ATOM 1079 O HIS A 70 2.217 9.314 2.412 1.00 0.00 O ATOM 1080 CB HIS A 70 -0.532 9.431 0.461 1.00 0.00 C ATOM 1081 CG HIS A 70 -1.904 9.611 1.033 1.00 0.00 C ATOM 1082 ND1 HIS A 70 -2.281 9.112 2.261 1.00 0.00 N ATOM 1083 CD2 HIS A 70 -2.993 10.241 0.535 1.00 0.00 C ATOM 1084 CE1 HIS A 70 -3.542 9.428 2.496 1.00 0.00 C ATOM 1085 NE2 HIS A 70 -3.997 10.114 1.463 1.00 0.00 N ATOM 0 H HIS A 70 0.220 11.515 -0.650 1.00 0.00 H new ATOM 0 HA HIS A 70 0.146 10.698 2.052 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.569 9.605 -0.614 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.219 8.397 0.606 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.060 10.749 -0.416 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.104 9.170 3.381 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.941 10.489 1.370 1.00 0.00 H new ATOM 1093 N TYR A 71 2.506 9.324 0.183 1.00 0.00 N ATOM 1094 CA TYR A 71 3.780 8.617 0.219 1.00 0.00 C ATOM 1095 C TYR A 71 4.865 9.452 0.915 1.00 0.00 C ATOM 1096 O TYR A 71 5.953 8.948 1.196 1.00 0.00 O ATOM 1097 CB TYR A 71 4.187 8.246 -1.217 1.00 0.00 C ATOM 1098 CG TYR A 71 5.674 8.074 -1.456 1.00 0.00 C ATOM 1099 CD1 TYR A 71 6.343 6.935 -1.030 1.00 0.00 C ATOM 1100 CD2 TYR A 71 6.398 9.046 -2.135 1.00 0.00 C ATOM 1101 CE1 TYR A 71 7.697 6.772 -1.268 1.00 0.00 C ATOM 1102 CE2 TYR A 71 7.747 8.890 -2.380 1.00 0.00 C ATOM 1103 CZ TYR A 71 8.394 7.751 -1.946 1.00 0.00 C ATOM 1104 OH TYR A 71 9.740 7.592 -2.195 1.00 0.00 O ATOM 0 H TYR A 71 2.192 9.570 -0.756 1.00 0.00 H new ATOM 0 HA TYR A 71 3.668 7.704 0.804 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.684 7.318 -1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.816 9.018 -1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.799 6.164 -0.505 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.896 9.939 -2.477 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.205 5.883 -0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.294 9.656 -2.909 1.00 0.00 H new ATOM 0 HH TYR A 71 10.077 8.372 -2.683 1.00 0.00 H new ATOM 1114 N LYS A 72 4.565 10.723 1.204 1.00 0.00 N ATOM 1115 CA LYS A 72 5.526 11.597 1.879 1.00 0.00 C ATOM 1116 C LYS A 72 5.713 11.179 3.335 1.00 0.00 C ATOM 1117 O LYS A 72 6.821 10.850 3.758 1.00 0.00 O ATOM 1118 CB LYS A 72 5.070 13.059 1.823 1.00 0.00 C ATOM 1119 CG LYS A 72 6.024 14.022 2.515 1.00 0.00 C ATOM 1120 CD LYS A 72 5.279 15.034 3.377 1.00 0.00 C ATOM 1121 CE LYS A 72 5.494 16.455 2.878 1.00 0.00 C ATOM 1122 NZ LYS A 72 4.394 16.899 1.979 1.00 0.00 N ATOM 0 H LYS A 72 3.673 11.165 0.983 1.00 0.00 H new ATOM 0 HA LYS A 72 6.478 11.502 1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.960 13.357 0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.086 13.142 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.722 13.460 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.616 14.548 1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.214 14.803 3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.619 14.954 4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.563 17.132 3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.444 16.513 2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.577 17.872 1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.344 16.268 1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.491 16.868 2.494 1.00 0.00 H new ATOM 1136 N GLU A 73 4.622 11.194 4.098 1.00 0.00 N ATOM 1137 CA GLU A 73 4.673 10.818 5.507 1.00 0.00 C ATOM 1138 C GLU A 73 5.347 9.460 5.658 1.00 0.00 C ATOM 1139 O GLU A 73 6.107 9.227 6.601 1.00 0.00 O ATOM 1140 CB GLU A 73 3.258 10.778 6.095 1.00 0.00 C ATOM 1141 CG GLU A 73 3.138 11.441 7.460 1.00 0.00 C ATOM 1142 CD GLU A 73 2.693 10.477 8.543 1.00 0.00 C ATOM 1143 OE1 GLU A 73 1.648 9.820 8.360 1.00 0.00 O ATOM 1144 OE2 GLU A 73 3.390 10.381 9.577 1.00 0.00 O ATOM 0 H GLU A 73 3.696 11.462 3.765 1.00 0.00 H new ATOM 0 HA GLU A 73 5.255 11.562 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.573 11.268 5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.939 9.739 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.101 11.871 7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.427 12.265 7.398 1.00 0.00 H new ATOM 1151 N ALA A 74 5.073 8.578 4.709 1.00 0.00 N ATOM 1152 CA ALA A 74 5.654 7.249 4.712 1.00 0.00 C ATOM 1153 C ALA A 74 7.137 7.309 4.359 1.00 0.00 C ATOM 1154 O ALA A 74 7.963 6.644 4.984 1.00 0.00 O ATOM 1155 CB ALA A 74 4.908 6.363 3.731 1.00 0.00 C ATOM 0 H ALA A 74 4.448 8.762 3.924 1.00 0.00 H new ATOM 0 HA ALA A 74 5.563 6.826 5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.347 5.365 3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.860 6.300 4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.981 6.787 2.730 1.00 0.00 H new ATOM 1161 N SER A 75 7.467 8.117 3.355 1.00 0.00 N ATOM 1162 CA SER A 75 8.852 8.270 2.917 1.00 0.00 C ATOM 1163 C SER A 75 9.775 8.488 4.115 1.00 0.00 C ATOM 1164 O SER A 75 10.744 7.758 4.301 1.00 0.00 O ATOM 1165 CB SER A 75 8.970 9.427 1.924 1.00 0.00 C ATOM 1166 OG SER A 75 10.275 9.982 1.930 1.00 0.00 O ATOM 0 H SER A 75 6.795 8.676 2.829 1.00 0.00 H new ATOM 0 HA SER A 75 9.160 7.353 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.727 9.074 0.922 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.243 10.200 2.175 1.00 0.00 H new ATOM 0 HG SER A 75 10.320 10.718 1.285 1.00 0.00 H new ATOM 1172 N ALA A 76 9.469 9.491 4.932 1.00 0.00 N ATOM 1173 CA ALA A 76 10.281 9.776 6.114 1.00 0.00 C ATOM 1174 C ALA A 76 10.551 8.493 6.902 1.00 0.00 C ATOM 1175 O ALA A 76 11.682 8.226 7.313 1.00 0.00 O ATOM 1176 CB ALA A 76 9.596 10.812 6.993 1.00 0.00 C ATOM 0 H ALA A 76 8.673 10.116 4.801 1.00 0.00 H new ATOM 0 HA ALA A 76 11.237 10.183 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.214 11.012 7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.457 11.734 6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.625 10.433 7.313 1.00 0.00 H new ATOM 1182 N ALA A 77 9.503 7.697 7.087 1.00 0.00 N ATOM 1183 CA ALA A 77 9.617 6.428 7.803 1.00 0.00 C ATOM 1184 C ALA A 77 10.340 5.387 6.952 1.00 0.00 C ATOM 1185 O ALA A 77 10.910 4.427 7.472 1.00 0.00 O ATOM 1186 CB ALA A 77 8.241 5.924 8.196 1.00 0.00 C ATOM 0 H ALA A 77 8.563 7.907 6.751 1.00 0.00 H new ATOM 0 HA ALA A 77 10.203 6.595 8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.338 4.978 8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.756 6.656 8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.638 5.775 7.300 1.00 0.00 H new ATOM 1192 N TYR A 78 10.322 5.602 5.644 1.00 0.00 N ATOM 1193 CA TYR A 78 10.983 4.708 4.700 1.00 0.00 C ATOM 1194 C TYR A 78 12.453 4.554 5.072 1.00 0.00 C ATOM 1195 O TYR A 78 12.950 3.444 5.254 1.00 0.00 O ATOM 1196 CB TYR A 78 10.861 5.286 3.283 1.00 0.00 C ATOM 1197 CG TYR A 78 11.191 4.329 2.153 1.00 0.00 C ATOM 1198 CD1 TYR A 78 12.202 3.384 2.272 1.00 0.00 C ATOM 1199 CD2 TYR A 78 10.496 4.393 0.952 1.00 0.00 C ATOM 1200 CE1 TYR A 78 12.505 2.533 1.233 1.00 0.00 C ATOM 1201 CE2 TYR A 78 10.796 3.544 -0.097 1.00 0.00 C ATOM 1202 CZ TYR A 78 11.802 2.615 0.049 1.00 0.00 C ATOM 1203 OH TYR A 78 12.108 1.768 -0.994 1.00 0.00 O ATOM 0 H TYR A 78 9.852 6.396 5.208 1.00 0.00 H new ATOM 0 HA TYR A 78 10.507 3.728 4.735 1.00 0.00 H new ATOM 0 HB2 TYR A 78 9.842 5.646 3.144 1.00 0.00 H new ATOM 0 HB3 TYR A 78 11.519 6.152 3.205 1.00 0.00 H new ATOM 0 HD1 TYR A 78 12.759 3.316 3.194 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.706 5.120 0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.292 1.802 1.345 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.246 3.609 -1.024 1.00 0.00 H new ATOM 0 HH TYR A 78 11.518 1.957 -1.753 1.00 0.00 H new ATOM 1213 N GLU A 79 13.131 5.690 5.177 1.00 0.00 N ATOM 1214 CA GLU A 79 14.551 5.725 5.512 1.00 0.00 C ATOM 1215 C GLU A 79 14.838 5.083 6.869 1.00 0.00 C ATOM 1216 O GLU A 79 15.856 4.412 7.041 1.00 0.00 O ATOM 1217 CB GLU A 79 15.051 7.170 5.506 1.00 0.00 C ATOM 1218 CG GLU A 79 15.438 7.677 4.125 1.00 0.00 C ATOM 1219 CD GLU A 79 16.939 7.813 3.950 1.00 0.00 C ATOM 1220 OE1 GLU A 79 17.687 7.195 4.735 1.00 0.00 O ATOM 1221 OE2 GLU A 79 17.366 8.538 3.026 1.00 0.00 O ATOM 0 H GLU A 79 12.715 6.610 5.033 1.00 0.00 H new ATOM 0 HA GLU A 79 15.081 5.146 4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.274 7.816 5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.914 7.249 6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.049 6.994 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.967 8.645 3.953 1.00 0.00 H new ATOM 1228 N SER A 80 13.954 5.311 7.833 1.00 0.00 N ATOM 1229 CA SER A 80 14.138 4.772 9.175 1.00 0.00 C ATOM 1230 C SER A 80 14.254 3.251 9.165 1.00 0.00 C ATOM 1231 O SER A 80 15.178 2.687 9.753 1.00 0.00 O ATOM 1232 CB SER A 80 12.986 5.196 10.090 1.00 0.00 C ATOM 1233 OG SER A 80 13.476 5.756 11.298 1.00 0.00 O ATOM 0 H SER A 80 13.105 5.864 7.711 1.00 0.00 H new ATOM 0 HA SER A 80 15.073 5.180 9.559 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.358 5.924 9.576 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.358 4.334 10.313 1.00 0.00 H new ATOM 0 HG SER A 80 12.722 6.021 11.865 1.00 0.00 H new ATOM 1239 N PHE A 81 13.307 2.588 8.513 1.00 0.00 N ATOM 1240 CA PHE A 81 13.303 1.132 8.451 1.00 0.00 C ATOM 1241 C PHE A 81 14.422 0.591 7.561 1.00 0.00 C ATOM 1242 O PHE A 81 15.123 -0.346 7.940 1.00 0.00 O ATOM 1243 CB PHE A 81 11.947 0.630 7.955 1.00 0.00 C ATOM 1244 CG PHE A 81 10.846 0.804 8.959 1.00 0.00 C ATOM 1245 CD1 PHE A 81 10.726 -0.060 10.036 1.00 0.00 C ATOM 1246 CD2 PHE A 81 9.930 1.835 8.830 1.00 0.00 C ATOM 1247 CE1 PHE A 81 9.713 0.100 10.964 1.00 0.00 C ATOM 1248 CE2 PHE A 81 8.915 2.001 9.755 1.00 0.00 C ATOM 1249 CZ PHE A 81 8.806 1.133 10.824 1.00 0.00 C ATOM 0 H PHE A 81 12.533 3.034 8.021 1.00 0.00 H new ATOM 0 HA PHE A 81 13.481 0.762 9.461 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.683 1.162 7.041 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.030 -0.426 7.697 1.00 0.00 H new ATOM 0 HD1 PHE A 81 11.433 -0.869 10.152 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.009 2.518 7.997 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.631 -0.582 11.797 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.208 2.809 9.641 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.015 1.261 11.548 1.00 0.00 H new ATOM 1259 N LYS A 82 14.584 1.171 6.374 1.00 0.00 N ATOM 1260 CA LYS A 82 15.619 0.716 5.448 1.00 0.00 C ATOM 1261 C LYS A 82 17.016 0.960 6.014 1.00 0.00 C ATOM 1262 O LYS A 82 17.929 0.162 5.797 1.00 0.00 O ATOM 1263 CB LYS A 82 15.474 1.401 4.084 1.00 0.00 C ATOM 1264 CG LYS A 82 15.687 2.906 4.123 1.00 0.00 C ATOM 1265 CD LYS A 82 16.252 3.431 2.810 1.00 0.00 C ATOM 1266 CE LYS A 82 15.349 4.490 2.190 1.00 0.00 C ATOM 1267 NZ LYS A 82 15.132 4.253 0.736 1.00 0.00 N ATOM 0 H LYS A 82 14.019 1.949 6.033 1.00 0.00 H new ATOM 0 HA LYS A 82 15.488 -0.358 5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.190 0.961 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.479 1.195 3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.740 3.402 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.367 3.156 4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.242 3.853 2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.376 2.604 2.111 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.388 4.494 2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.792 5.475 2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.015 5.165 0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.952 3.751 0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.276 3.677 0.602 1.00 0.00 H new