USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 487 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 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 55 LYS NZ :NH3+ 175:sc= 0.848 (180deg=0.8) USER MOD Single : A 21 GLN : amide:sc= -2.29 K(o=-2.3,f=-7.5!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.499 F(o=-3.1!,f=-0.5) USER MOD Single : A 34 ASN : amide:sc= -0.337 K(o=-0.34,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.156 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -122:sc= 0 (180deg=-1.15) USER MOD Single : A 46 SER OG : rot 62:sc= -4.6! USER MOD Single : A 47 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.3!) USER MOD Single : A 54 ASN : amide:sc= -5.63! C(o=-5.6!,f=-6.2!) USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0457) USER MOD Single : A 59 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00183) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -103:sc= -2.93 (180deg=-5.96!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.644 8.303 2.085 1.00 0.00 N ATOM 243 CA GLN A 21 6.836 7.119 2.358 1.00 0.00 C ATOM 244 C GLN A 21 6.508 6.375 1.069 1.00 0.00 C ATOM 245 O GLN A 21 6.651 5.155 0.992 1.00 0.00 O ATOM 246 CB GLN A 21 5.545 7.512 3.077 1.00 0.00 C ATOM 247 CG GLN A 21 5.760 7.961 4.514 1.00 0.00 C ATOM 248 CD GLN A 21 4.462 8.084 5.288 1.00 0.00 C ATOM 249 OE1 GLN A 21 3.507 7.346 5.042 1.00 0.00 O ATOM 250 NE2 GLN A 21 4.420 9.019 6.229 1.00 0.00 N ATOM 0 HA GLN A 21 7.414 6.456 3.001 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.061 8.316 2.523 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.862 6.663 3.069 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.414 7.250 5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.273 8.923 4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.235 9.608 6.399 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.573 9.148 6.782 1.00 0.00 H new ATOM 259 N GLU A 22 6.067 7.117 0.058 1.00 0.00 N ATOM 260 CA GLU A 22 5.718 6.525 -1.228 1.00 0.00 C ATOM 261 C GLU A 22 6.962 6.008 -1.945 1.00 0.00 C ATOM 262 O GLU A 22 6.866 5.250 -2.911 1.00 0.00 O ATOM 263 CB GLU A 22 4.998 7.550 -2.107 1.00 0.00 C ATOM 264 CG GLU A 22 4.174 6.925 -3.220 1.00 0.00 C ATOM 265 CD GLU A 22 2.755 6.610 -2.788 1.00 0.00 C ATOM 266 OE1 GLU A 22 2.309 7.170 -1.765 1.00 0.00 O ATOM 267 OE2 GLU A 22 2.091 5.804 -3.473 1.00 0.00 O ATOM 0 H GLU A 22 5.943 8.128 0.105 1.00 0.00 H new ATOM 0 HA GLU A 22 5.051 5.683 -1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.345 8.158 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.736 8.222 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.148 7.603 -4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.660 6.009 -3.556 1.00 0.00 H new ATOM 274 N LYS A 23 8.129 6.423 -1.466 1.00 0.00 N ATOM 275 CA LYS A 23 9.393 6.003 -2.058 1.00 0.00 C ATOM 276 C LYS A 23 9.887 4.706 -1.424 1.00 0.00 C ATOM 277 O LYS A 23 10.468 3.855 -2.098 1.00 0.00 O ATOM 278 CB LYS A 23 10.448 7.099 -1.891 1.00 0.00 C ATOM 279 CG LYS A 23 11.085 7.125 -0.513 1.00 0.00 C ATOM 280 CD LYS A 23 12.346 7.973 -0.497 1.00 0.00 C ATOM 281 CE LYS A 23 13.296 7.540 0.609 1.00 0.00 C ATOM 282 NZ LYS A 23 14.287 8.601 0.936 1.00 0.00 N ATOM 0 H LYS A 23 8.226 7.051 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 23 9.226 5.827 -3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.228 6.958 -2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.988 8.067 -2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.372 7.519 0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.325 6.108 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.849 7.896 -1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.079 9.021 -0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.723 7.290 1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.821 6.635 0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.916 8.267 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.851 8.822 0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.788 9.457 1.252 1.00 0.00 H new ATOM 296 N LEU A 24 9.651 4.562 -0.125 1.00 0.00 N ATOM 297 CA LEU A 24 10.071 3.368 0.601 1.00 0.00 C ATOM 298 C LEU A 24 9.188 2.176 0.245 1.00 0.00 C ATOM 299 O LEU A 24 9.645 1.033 0.229 1.00 0.00 O ATOM 300 CB LEU A 24 10.024 3.620 2.109 1.00 0.00 C ATOM 301 CG LEU A 24 10.285 2.406 3.001 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.665 1.830 2.728 1.00 0.00 C ATOM 303 CD2 LEU A 24 10.142 2.783 4.469 1.00 0.00 C ATOM 0 H LEU A 24 9.171 5.257 0.447 1.00 0.00 H new ATOM 0 HA LEU A 24 11.096 3.138 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.758 4.388 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.044 4.025 2.359 1.00 0.00 H new ATOM 0 HG LEU A 24 9.543 1.642 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.833 0.967 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.731 1.522 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.422 2.587 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.331 1.907 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.861 3.565 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.132 3.148 4.654 1.00 0.00 H new ATOM 315 N VAL A 25 7.919 2.451 -0.041 1.00 0.00 N ATOM 316 CA VAL A 25 6.972 1.402 -0.400 1.00 0.00 C ATOM 317 C VAL A 25 7.226 0.892 -1.813 1.00 0.00 C ATOM 318 O VAL A 25 7.151 -0.309 -2.074 1.00 0.00 O ATOM 319 CB VAL A 25 5.518 1.901 -0.300 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.543 0.758 -0.542 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.268 2.548 1.054 1.00 0.00 C ATOM 0 H VAL A 25 7.523 3.391 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 25 7.119 0.587 0.309 1.00 0.00 H new ATOM 0 HB VAL A 25 5.357 2.654 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.521 1.130 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.707 0.344 -1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.702 -0.020 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.236 2.895 1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.447 1.819 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.942 3.395 1.183 1.00 0.00 H new ATOM 331 N TYR A 26 7.529 1.812 -2.723 1.00 0.00 N ATOM 332 CA TYR A 26 7.794 1.455 -4.112 1.00 0.00 C ATOM 333 C TYR A 26 9.035 0.574 -4.221 1.00 0.00 C ATOM 334 O TYR A 26 9.159 -0.228 -5.146 1.00 0.00 O ATOM 335 CB TYR A 26 7.974 2.716 -4.958 1.00 0.00 C ATOM 336 CG TYR A 26 8.379 2.433 -6.387 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.623 1.590 -7.191 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.519 3.011 -6.934 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.990 1.328 -8.496 1.00 0.00 C ATOM 340 CE2 TYR A 26 9.893 2.757 -8.239 1.00 0.00 C ATOM 341 CZ TYR A 26 9.126 1.914 -9.016 1.00 0.00 C ATOM 342 OH TYR A 26 9.494 1.657 -10.317 1.00 0.00 O ATOM 0 H TYR A 26 7.597 2.810 -2.524 1.00 0.00 H new ATOM 0 HA TYR A 26 6.938 0.893 -4.486 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.041 3.280 -4.958 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.729 3.350 -4.494 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.732 1.131 -6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.123 3.670 -6.328 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.391 0.668 -9.106 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.781 3.216 -8.649 1.00 0.00 H new ATOM 0 HH TYR A 26 10.316 2.148 -10.528 1.00 0.00 H new ATOM 352 N GLN A 27 9.949 0.730 -3.269 1.00 0.00 N ATOM 353 CA GLN A 27 11.180 -0.050 -3.258 1.00 0.00 C ATOM 354 C GLN A 27 10.922 -1.468 -2.759 1.00 0.00 C ATOM 355 O GLN A 27 11.405 -2.439 -3.341 1.00 0.00 O ATOM 356 CB GLN A 27 12.232 0.629 -2.379 1.00 0.00 C ATOM 357 CG GLN A 27 13.291 -0.325 -1.850 1.00 0.00 C ATOM 358 CD GLN A 27 14.272 -0.760 -2.921 1.00 0.00 C ATOM 359 OE1 GLN A 27 13.759 -1.376 -3.980 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 15.478 -0.544 -2.799 1.00 0.00 N flip ATOM 0 H GLN A 27 9.860 1.389 -2.496 1.00 0.00 H new ATOM 0 HA GLN A 27 11.553 -0.106 -4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.719 1.417 -2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.734 1.109 -1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.836 0.157 -1.038 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.804 -1.205 -1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.829 -0.067 -1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.126 -0.842 -3.528 1.00 0.00 H new ATOM 369 N ILE A 28 10.157 -1.579 -1.678 1.00 0.00 N ATOM 370 CA ILE A 28 9.834 -2.878 -1.101 1.00 0.00 C ATOM 371 C ILE A 28 9.073 -3.747 -2.097 1.00 0.00 C ATOM 372 O ILE A 28 9.264 -4.963 -2.147 1.00 0.00 O ATOM 373 CB ILE A 28 8.994 -2.731 0.182 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.753 -1.904 1.222 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.640 -4.101 0.742 1.00 0.00 C ATOM 376 CD1 ILE A 28 8.848 -1.156 2.175 1.00 0.00 C ATOM 0 H ILE A 28 9.749 -0.785 -1.184 1.00 0.00 H new ATOM 0 HA ILE A 28 10.781 -3.358 -0.852 1.00 0.00 H new ATOM 0 HB ILE A 28 8.069 -2.210 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.404 -2.564 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.396 -1.190 0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.046 -3.981 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.065 -4.659 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.555 -4.646 0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.453 -0.592 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.214 -0.470 1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.223 -1.866 2.716 1.00 0.00 H new ATOM 388 N ILE A 29 8.212 -3.116 -2.888 1.00 0.00 N ATOM 389 CA ILE A 29 7.425 -3.832 -3.884 1.00 0.00 C ATOM 390 C ILE A 29 8.319 -4.434 -4.962 1.00 0.00 C ATOM 391 O ILE A 29 8.306 -5.644 -5.189 1.00 0.00 O ATOM 392 CB ILE A 29 6.387 -2.909 -4.550 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.420 -2.353 -3.502 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.628 -3.661 -5.633 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.704 -1.098 -3.948 1.00 0.00 C ATOM 0 H ILE A 29 8.042 -2.111 -2.858 1.00 0.00 H new ATOM 0 HA ILE A 29 6.904 -4.633 -3.359 1.00 0.00 H new ATOM 0 HB ILE A 29 6.910 -2.073 -5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.681 -3.117 -3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.972 -2.141 -2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.898 -2.996 -6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.328 -4.013 -6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.113 -4.514 -5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.035 -0.760 -3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.435 -0.319 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.125 -1.310 -4.847 1.00 0.00 H new ATOM 407 N GLU A 30 9.096 -3.582 -5.623 1.00 0.00 N ATOM 408 CA GLU A 30 9.998 -4.031 -6.677 1.00 0.00 C ATOM 409 C GLU A 30 10.931 -5.125 -6.166 1.00 0.00 C ATOM 410 O GLU A 30 11.386 -5.975 -6.931 1.00 0.00 O ATOM 411 CB GLU A 30 10.818 -2.855 -7.213 1.00 0.00 C ATOM 412 CG GLU A 30 11.722 -2.219 -6.171 1.00 0.00 C ATOM 413 CD GLU A 30 12.765 -1.305 -6.784 1.00 0.00 C ATOM 414 OE1 GLU A 30 13.865 -1.797 -7.114 1.00 0.00 O ATOM 415 OE2 GLU A 30 12.482 -0.098 -6.933 1.00 0.00 O ATOM 0 H GLU A 30 9.119 -2.577 -5.447 1.00 0.00 H new ATOM 0 HA GLU A 30 9.394 -4.442 -7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.427 -3.199 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.139 -2.097 -7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.115 -1.650 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.221 -3.003 -5.601 1.00 0.00 H new ATOM 422 N ASP A 31 11.211 -5.095 -4.867 1.00 0.00 N ATOM 423 CA ASP A 31 12.089 -6.084 -4.252 1.00 0.00 C ATOM 424 C ASP A 31 11.475 -7.478 -4.327 1.00 0.00 C ATOM 425 O ASP A 31 12.175 -8.464 -4.554 1.00 0.00 O ATOM 426 CB ASP A 31 12.368 -5.713 -2.795 1.00 0.00 C ATOM 427 CG ASP A 31 13.726 -6.195 -2.324 1.00 0.00 C ATOM 428 OD1 ASP A 31 14.680 -6.160 -3.129 1.00 0.00 O ATOM 429 OD2 ASP A 31 13.835 -6.609 -1.150 1.00 0.00 O ATOM 0 H ASP A 31 10.843 -4.397 -4.220 1.00 0.00 H new ATOM 0 HA ASP A 31 13.029 -6.092 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.311 -4.630 -2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.593 -6.142 -2.159 1.00 0.00 H new ATOM 434 N ALA A 32 10.162 -7.551 -4.132 1.00 0.00 N ATOM 435 CA ALA A 32 9.453 -8.824 -4.178 1.00 0.00 C ATOM 436 C ALA A 32 9.746 -9.569 -5.476 1.00 0.00 C ATOM 437 O ALA A 32 9.916 -10.787 -5.480 1.00 0.00 O ATOM 438 CB ALA A 32 7.956 -8.600 -4.022 1.00 0.00 C ATOM 0 H ALA A 32 9.568 -6.744 -3.941 1.00 0.00 H new ATOM 0 HA ALA A 32 9.806 -9.438 -3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.439 -9.559 -4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.758 -8.117 -3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.597 -7.963 -4.831 1.00 0.00 H new ATOM 444 N GLY A 33 9.802 -8.827 -6.579 1.00 0.00 N ATOM 445 CA GLY A 33 10.073 -9.435 -7.868 1.00 0.00 C ATOM 446 C GLY A 33 8.808 -9.859 -8.588 1.00 0.00 C ATOM 447 O GLY A 33 7.702 -9.554 -8.143 1.00 0.00 O ATOM 0 H GLY A 33 9.665 -7.817 -6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.622 -8.729 -8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.716 -10.304 -7.728 1.00 0.00 H new ATOM 451 N ASN A 34 8.970 -10.562 -9.704 1.00 0.00 N ATOM 452 CA ASN A 34 7.831 -11.025 -10.488 1.00 0.00 C ATOM 453 C ASN A 34 6.767 -11.646 -9.587 1.00 0.00 C ATOM 454 O ASN A 34 5.569 -11.496 -9.827 1.00 0.00 O ATOM 455 CB ASN A 34 8.286 -12.044 -11.534 1.00 0.00 C ATOM 456 CG ASN A 34 8.965 -13.249 -10.912 1.00 0.00 C ATOM 457 OD1 ASN A 34 8.304 -14.155 -10.406 1.00 0.00 O ATOM 458 ND2 ASN A 34 10.293 -13.263 -10.947 1.00 0.00 N ATOM 0 H ASN A 34 9.879 -10.824 -10.086 1.00 0.00 H new ATOM 0 HA ASN A 34 7.396 -10.163 -10.994 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.424 -12.375 -12.113 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.973 -11.563 -12.231 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.806 -14.047 -10.544 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.800 -12.490 -11.377 1.00 0.00 H new ATOM 465 N LYS A 35 7.214 -12.344 -8.548 1.00 0.00 N ATOM 466 CA LYS A 35 6.302 -12.987 -7.609 1.00 0.00 C ATOM 467 C LYS A 35 5.338 -11.971 -7.004 1.00 0.00 C ATOM 468 O LYS A 35 4.166 -12.269 -6.782 1.00 0.00 O ATOM 469 CB LYS A 35 7.090 -13.683 -6.497 1.00 0.00 C ATOM 470 CG LYS A 35 8.143 -12.798 -5.852 1.00 0.00 C ATOM 471 CD LYS A 35 8.717 -13.436 -4.599 1.00 0.00 C ATOM 472 CE LYS A 35 7.754 -13.327 -3.427 1.00 0.00 C ATOM 473 NZ LYS A 35 8.293 -13.982 -2.202 1.00 0.00 N ATOM 0 H LYS A 35 8.202 -12.479 -8.335 1.00 0.00 H new ATOM 0 HA LYS A 35 5.722 -13.731 -8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.395 -14.025 -5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.574 -14.570 -6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.946 -12.608 -6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.704 -11.832 -5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.939 -14.485 -4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.660 -12.953 -4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.554 -12.276 -3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.802 -13.786 -3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.607 -13.886 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.461 -14.991 -2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.188 -13.528 -1.931 1.00 0.00 H new ATOM 487 N GLY A 36 5.841 -10.768 -6.742 1.00 0.00 N ATOM 488 CA GLY A 36 5.010 -9.726 -6.167 1.00 0.00 C ATOM 489 C GLY A 36 5.021 -9.746 -4.652 1.00 0.00 C ATOM 490 O GLY A 36 5.673 -10.593 -4.040 1.00 0.00 O ATOM 0 H GLY A 36 6.808 -10.497 -6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.357 -8.754 -6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.986 -9.845 -6.521 1.00 0.00 H new ATOM 494 N ILE A 37 4.299 -8.811 -4.044 1.00 0.00 N ATOM 495 CA ILE A 37 4.229 -8.725 -2.591 1.00 0.00 C ATOM 496 C ILE A 37 2.786 -8.581 -2.118 1.00 0.00 C ATOM 497 O ILE A 37 1.915 -8.151 -2.873 1.00 0.00 O ATOM 498 CB ILE A 37 5.053 -7.538 -2.057 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.069 -7.548 -0.527 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.488 -6.225 -2.577 1.00 0.00 C ATOM 501 CD1 ILE A 37 6.010 -6.527 0.074 1.00 0.00 C ATOM 0 H ILE A 37 3.754 -8.102 -4.535 1.00 0.00 H new ATOM 0 HA ILE A 37 4.647 -9.652 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 37 6.078 -7.637 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.060 -7.361 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.355 -8.541 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.081 -5.396 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.523 -6.220 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.455 -6.117 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.970 -6.591 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.027 -6.726 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.712 -5.527 -0.242 1.00 0.00 H new ATOM 513 N TRP A 38 2.542 -8.944 -0.863 1.00 0.00 N ATOM 514 CA TRP A 38 1.205 -8.854 -0.288 1.00 0.00 C ATOM 515 C TRP A 38 0.997 -7.507 0.397 1.00 0.00 C ATOM 516 O TRP A 38 1.844 -7.055 1.167 1.00 0.00 O ATOM 517 CB TRP A 38 0.980 -9.989 0.712 1.00 0.00 C ATOM 518 CG TRP A 38 -0.468 -10.282 0.961 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.500 -10.128 0.079 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.045 -10.779 2.174 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.683 -10.499 0.671 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.432 -10.903 1.955 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.526 -11.133 3.422 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.302 -11.364 2.939 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.391 -11.591 4.397 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.766 -11.704 4.152 1.00 0.00 C ATOM 0 H TRP A 38 3.252 -9.303 -0.225 1.00 0.00 H new ATOM 0 HA TRP A 38 0.481 -8.944 -1.098 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.468 -10.891 0.343 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.459 -9.732 1.657 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.400 -9.768 -0.934 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.600 -10.477 0.226 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.532 -11.050 3.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.362 -11.450 2.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.000 -11.867 5.365 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.415 -12.066 4.935 1.00 0.00 H new ATOM 537 N SER A 39 -0.136 -6.872 0.112 1.00 0.00 N ATOM 538 CA SER A 39 -0.453 -5.575 0.699 1.00 0.00 C ATOM 539 C SER A 39 0.083 -5.478 2.124 1.00 0.00 C ATOM 540 O SER A 39 0.875 -4.590 2.441 1.00 0.00 O ATOM 541 CB SER A 39 -1.966 -5.346 0.694 1.00 0.00 C ATOM 542 OG SER A 39 -2.637 -6.359 1.423 1.00 0.00 O ATOM 0 H SER A 39 -0.849 -7.234 -0.521 1.00 0.00 H new ATOM 0 HA SER A 39 0.026 -4.804 0.096 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.191 -4.372 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.331 -5.330 -0.333 1.00 0.00 H new ATOM 0 HG SER A 39 -3.602 -6.189 1.406 1.00 0.00 H new ATOM 548 N ARG A 40 -0.355 -6.397 2.978 1.00 0.00 N ATOM 549 CA ARG A 40 0.079 -6.415 4.370 1.00 0.00 C ATOM 550 C ARG A 40 1.602 -6.384 4.465 1.00 0.00 C ATOM 551 O ARG A 40 2.177 -5.485 5.079 1.00 0.00 O ATOM 552 CB ARG A 40 -0.462 -7.658 5.079 1.00 0.00 C ATOM 553 CG ARG A 40 -1.891 -7.504 5.571 1.00 0.00 C ATOM 554 CD ARG A 40 -2.451 -8.824 6.079 1.00 0.00 C ATOM 555 NE ARG A 40 -3.863 -8.719 6.435 1.00 0.00 N ATOM 556 CZ ARG A 40 -4.297 -8.183 7.570 1.00 0.00 C ATOM 557 NH1 ARG A 40 -3.432 -7.706 8.455 1.00 0.00 N ATOM 558 NH2 ARG A 40 -5.598 -8.124 7.823 1.00 0.00 N ATOM 0 H ARG A 40 -1.010 -7.139 2.731 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.317 -5.525 4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.411 -8.506 4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.182 -7.892 5.927 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.924 -6.762 6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.517 -7.129 4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.326 -9.589 5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.881 -9.148 6.950 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.554 -9.077 5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.431 -7.750 8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.768 -7.295 9.326 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.266 -8.491 7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.930 -7.712 8.695 1.00 0.00 H new ATOM 572 N ASP A 41 2.247 -7.371 3.854 1.00 0.00 N ATOM 573 CA ASP A 41 3.703 -7.457 3.869 1.00 0.00 C ATOM 574 C ASP A 41 4.330 -6.067 3.839 1.00 0.00 C ATOM 575 O ASP A 41 5.346 -5.818 4.488 1.00 0.00 O ATOM 576 CB ASP A 41 4.199 -8.279 2.678 1.00 0.00 C ATOM 577 CG ASP A 41 5.504 -8.994 2.972 1.00 0.00 C ATOM 578 OD1 ASP A 41 6.384 -8.382 3.611 1.00 0.00 O ATOM 579 OD2 ASP A 41 5.645 -10.165 2.561 1.00 0.00 O ATOM 0 H ASP A 41 1.785 -8.123 3.342 1.00 0.00 H new ATOM 0 HA ASP A 41 4.003 -7.952 4.793 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.440 -9.012 2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.333 -7.623 1.818 1.00 0.00 H new ATOM 584 N VAL A 42 3.718 -5.163 3.080 1.00 0.00 N ATOM 585 CA VAL A 42 4.216 -3.798 2.965 1.00 0.00 C ATOM 586 C VAL A 42 4.170 -3.081 4.310 1.00 0.00 C ATOM 587 O VAL A 42 5.146 -2.456 4.725 1.00 0.00 O ATOM 588 CB VAL A 42 3.402 -2.988 1.937 1.00 0.00 C ATOM 589 CG1 VAL A 42 3.907 -1.555 1.866 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.463 -3.652 0.570 1.00 0.00 C ATOM 0 H VAL A 42 2.876 -5.352 2.536 1.00 0.00 H new ATOM 0 HA VAL A 42 5.250 -3.866 2.627 1.00 0.00 H new ATOM 0 HB VAL A 42 2.361 -2.965 2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.320 -0.998 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.808 -1.085 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.955 -1.553 1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.883 -3.068 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.500 -3.706 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.050 -4.659 0.636 1.00 0.00 H new ATOM 600 N ARG A 43 3.031 -3.177 4.987 1.00 0.00 N ATOM 601 CA ARG A 43 2.857 -2.538 6.286 1.00 0.00 C ATOM 602 C ARG A 43 4.100 -2.722 7.153 1.00 0.00 C ATOM 603 O ARG A 43 4.549 -1.788 7.817 1.00 0.00 O ATOM 604 CB ARG A 43 1.633 -3.112 7.002 1.00 0.00 C ATOM 605 CG ARG A 43 0.345 -2.363 6.701 1.00 0.00 C ATOM 606 CD ARG A 43 -0.777 -2.787 7.635 1.00 0.00 C ATOM 607 NE ARG A 43 -0.753 -2.045 8.892 1.00 0.00 N ATOM 608 CZ ARG A 43 -1.323 -2.476 10.012 1.00 0.00 C ATOM 609 NH1 ARG A 43 -1.959 -3.639 10.030 1.00 0.00 N ATOM 610 NH2 ARG A 43 -1.258 -1.743 11.116 1.00 0.00 N ATOM 0 H ARG A 43 2.214 -3.691 4.658 1.00 0.00 H new ATOM 0 HA ARG A 43 2.705 -1.471 6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.511 -4.157 6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.810 -3.095 8.077 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.515 -1.291 6.798 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.049 -2.546 5.668 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.737 -2.633 7.142 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.692 -3.854 7.842 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.272 -1.146 8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.011 -4.205 9.183 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.396 -3.968 10.891 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.770 -0.847 11.106 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.696 -2.075 11.975 1.00 0.00 H new ATOM 624 N TYR A 44 4.649 -3.931 7.141 1.00 0.00 N ATOM 625 CA TYR A 44 5.837 -4.239 7.928 1.00 0.00 C ATOM 626 C TYR A 44 7.088 -3.663 7.272 1.00 0.00 C ATOM 627 O TYR A 44 7.812 -2.870 7.876 1.00 0.00 O ATOM 628 CB TYR A 44 5.985 -5.752 8.096 1.00 0.00 C ATOM 629 CG TYR A 44 4.670 -6.471 8.293 1.00 0.00 C ATOM 630 CD1 TYR A 44 3.876 -6.820 7.208 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.222 -6.803 9.566 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.674 -7.476 7.384 1.00 0.00 C ATOM 633 CE2 TYR A 44 3.021 -7.461 9.751 1.00 0.00 C ATOM 634 CZ TYR A 44 2.251 -7.795 8.657 1.00 0.00 C ATOM 635 OH TYR A 44 1.054 -8.450 8.837 1.00 0.00 O ATOM 0 H TYR A 44 4.290 -4.714 6.595 1.00 0.00 H new ATOM 0 HA TYR A 44 5.720 -3.782 8.910 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.484 -6.160 7.217 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.631 -5.953 8.951 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.205 -6.574 6.209 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.823 -6.542 10.425 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.068 -7.738 6.529 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.687 -7.712 10.747 1.00 0.00 H new ATOM 0 HH TYR A 44 0.904 -8.601 9.794 1.00 0.00 H new ATOM 645 N LYS A 45 7.338 -4.068 6.032 1.00 0.00 N ATOM 646 CA LYS A 45 8.500 -3.592 5.290 1.00 0.00 C ATOM 647 C LYS A 45 8.592 -2.071 5.339 1.00 0.00 C ATOM 648 O LYS A 45 9.565 -1.514 5.846 1.00 0.00 O ATOM 649 CB LYS A 45 8.430 -4.063 3.836 1.00 0.00 C ATOM 650 CG LYS A 45 8.431 -5.575 3.685 1.00 0.00 C ATOM 651 CD LYS A 45 9.562 -6.214 4.473 1.00 0.00 C ATOM 652 CE LYS A 45 10.918 -5.688 4.027 1.00 0.00 C ATOM 653 NZ LYS A 45 11.247 -6.110 2.638 1.00 0.00 N ATOM 0 H LYS A 45 6.751 -4.726 5.519 1.00 0.00 H new ATOM 0 HA LYS A 45 9.393 -4.007 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.527 -3.661 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.278 -3.651 3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.477 -5.976 4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.528 -5.836 2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.425 -6.014 5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.530 -7.296 4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.923 -4.600 4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.689 -6.048 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.140 -6.643 2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.485 -6.713 2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.347 -5.269 2.034 1.00 0.00 H new ATOM 667 N SER A 46 7.571 -1.404 4.810 1.00 0.00 N ATOM 668 CA SER A 46 7.538 0.054 4.792 1.00 0.00 C ATOM 669 C SER A 46 7.432 0.613 6.207 1.00 0.00 C ATOM 670 O SER A 46 7.790 1.762 6.461 1.00 0.00 O ATOM 671 CB SER A 46 6.362 0.548 3.947 1.00 0.00 C ATOM 672 OG SER A 46 6.432 0.038 2.627 1.00 0.00 O ATOM 0 H SER A 46 6.756 -1.850 4.388 1.00 0.00 H new ATOM 0 HA SER A 46 8.469 0.408 4.349 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.424 0.241 4.409 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.362 1.638 3.920 1.00 0.00 H new ATOM 0 HG SER A 46 6.379 -0.940 2.651 1.00 0.00 H new ATOM 678 N ASN A 47 6.936 -0.209 7.126 1.00 0.00 N ATOM 679 CA ASN A 47 6.782 0.202 8.517 1.00 0.00 C ATOM 680 C ASN A 47 5.720 1.290 8.648 1.00 0.00 C ATOM 681 O ASN A 47 5.756 2.099 9.576 1.00 0.00 O ATOM 682 CB ASN A 47 8.116 0.705 9.072 1.00 0.00 C ATOM 683 CG ASN A 47 9.253 -0.264 8.814 1.00 0.00 C ATOM 684 OD1 ASN A 47 9.225 -1.407 9.271 1.00 0.00 O ATOM 685 ND2 ASN A 47 10.261 0.189 8.078 1.00 0.00 N ATOM 0 H ASN A 47 6.634 -1.164 6.933 1.00 0.00 H new ATOM 0 HA ASN A 47 6.461 -0.665 9.093 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.354 1.668 8.621 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.020 0.871 10.145 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.054 -0.418 7.871 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.242 1.144 7.720 1.00 0.00 H new ATOM 692 N LEU A 48 4.777 1.303 7.713 1.00 0.00 N ATOM 693 CA LEU A 48 3.703 2.291 7.723 1.00 0.00 C ATOM 694 C LEU A 48 2.364 1.637 8.044 1.00 0.00 C ATOM 695 O LEU A 48 2.169 0.437 7.849 1.00 0.00 O ATOM 696 CB LEU A 48 3.626 3.003 6.371 1.00 0.00 C ATOM 697 CG LEU A 48 4.678 4.083 6.120 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.766 4.408 4.637 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.361 5.335 6.924 1.00 0.00 C ATOM 0 H LEU A 48 4.734 0.641 6.938 1.00 0.00 H new ATOM 0 HA LEU A 48 3.923 3.023 8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.708 2.254 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.639 3.457 6.278 1.00 0.00 H new ATOM 0 HG LEU A 48 5.646 3.702 6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.520 5.179 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.042 3.510 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.799 4.768 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.121 6.093 6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.384 5.719 6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.351 5.092 7.987 1.00 0.00 H new ATOM 711 N PRO A 49 1.416 2.442 8.547 1.00 0.00 N ATOM 712 CA PRO A 49 0.077 1.964 8.903 1.00 0.00 C ATOM 713 C PRO A 49 -0.750 1.593 7.677 1.00 0.00 C ATOM 714 O PRO A 49 -0.532 2.119 6.585 1.00 0.00 O ATOM 715 CB PRO A 49 -0.546 3.160 9.627 1.00 0.00 C ATOM 716 CG PRO A 49 0.178 4.346 9.090 1.00 0.00 C ATOM 717 CD PRO A 49 1.579 3.883 8.806 1.00 0.00 C ATOM 0 HA PRO A 49 0.115 1.057 9.506 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.616 3.228 9.432 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.424 3.077 10.707 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.301 4.718 8.184 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.176 5.164 9.811 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.007 4.400 7.947 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.242 4.067 9.651 1.00 0.00 H new ATOM 725 N LEU A 50 -1.702 0.685 7.864 1.00 0.00 N ATOM 726 CA LEU A 50 -2.563 0.243 6.773 1.00 0.00 C ATOM 727 C LEU A 50 -3.084 1.434 5.974 1.00 0.00 C ATOM 728 O LEU A 50 -3.008 1.453 4.745 1.00 0.00 O ATOM 729 CB LEU A 50 -3.737 -0.570 7.321 1.00 0.00 C ATOM 730 CG LEU A 50 -4.587 -1.305 6.283 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.107 -0.334 5.235 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.783 -2.419 5.629 1.00 0.00 C ATOM 0 H LEU A 50 -1.897 0.241 8.761 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.971 -0.387 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.347 -1.303 8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.386 0.101 7.884 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.442 -1.751 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.709 -0.875 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.719 0.428 5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.266 0.141 4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.403 -2.931 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.909 -1.995 5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.460 -3.130 6.390 1.00 0.00 H new ATOM 744 N THR A 51 -3.611 2.429 6.681 1.00 0.00 N ATOM 745 CA THR A 51 -4.143 3.624 6.039 1.00 0.00 C ATOM 746 C THR A 51 -3.142 4.209 5.049 1.00 0.00 C ATOM 747 O THR A 51 -3.525 4.845 4.068 1.00 0.00 O ATOM 748 CB THR A 51 -4.512 4.702 7.076 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.227 5.768 6.441 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.265 5.253 7.751 1.00 0.00 C ATOM 0 H THR A 51 -3.681 2.430 7.699 1.00 0.00 H new ATOM 0 HA THR A 51 -5.043 3.321 5.505 1.00 0.00 H new ATOM 0 HB THR A 51 -5.144 4.243 7.836 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.459 6.448 7.107 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.551 6.012 8.479 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.738 4.444 8.258 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.611 5.698 7.001 1.00 0.00 H new ATOM 758 N GLU A 52 -1.858 3.988 5.313 1.00 0.00 N ATOM 759 CA GLU A 52 -0.802 4.494 4.445 1.00 0.00 C ATOM 760 C GLU A 52 -0.522 3.519 3.304 1.00 0.00 C ATOM 761 O GLU A 52 -0.404 3.921 2.146 1.00 0.00 O ATOM 762 CB GLU A 52 0.478 4.737 5.248 1.00 0.00 C ATOM 763 CG GLU A 52 0.497 6.073 5.972 1.00 0.00 C ATOM 764 CD GLU A 52 0.479 7.253 5.020 1.00 0.00 C ATOM 765 OE1 GLU A 52 0.855 7.070 3.843 1.00 0.00 O ATOM 766 OE2 GLU A 52 0.089 8.358 5.451 1.00 0.00 O ATOM 0 H GLU A 52 -1.524 3.462 6.121 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.139 5.439 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.597 3.936 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.334 4.685 4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.365 6.134 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.387 6.130 6.598 1.00 0.00 H new ATOM 773 N ILE A 53 -0.416 2.239 3.641 1.00 0.00 N ATOM 774 CA ILE A 53 -0.150 1.207 2.646 1.00 0.00 C ATOM 775 C ILE A 53 -1.268 1.141 1.611 1.00 0.00 C ATOM 776 O ILE A 53 -1.027 0.853 0.440 1.00 0.00 O ATOM 777 CB ILE A 53 0.011 -0.178 3.301 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.405 -0.316 3.915 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.235 -1.278 2.279 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.662 0.644 5.055 1.00 0.00 C ATOM 0 H ILE A 53 -0.510 1.891 4.595 1.00 0.00 H new ATOM 0 HA ILE A 53 0.784 1.477 2.152 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.727 -0.276 4.097 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.535 -1.337 4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.153 -0.154 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.118 -2.251 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.247 -1.187 1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.483 -1.185 1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.669 0.489 5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.564 1.669 4.697 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.938 0.467 5.850 1.00 0.00 H new ATOM 792 N ASN A 54 -2.492 1.410 2.053 1.00 0.00 N ATOM 793 CA ASN A 54 -3.649 1.383 1.164 1.00 0.00 C ATOM 794 C ASN A 54 -3.581 2.519 0.147 1.00 0.00 C ATOM 795 O ASN A 54 -3.679 2.294 -1.059 1.00 0.00 O ATOM 796 CB ASN A 54 -4.943 1.485 1.973 1.00 0.00 C ATOM 797 CG ASN A 54 -5.477 0.126 2.384 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.770 -0.880 2.308 1.00 0.00 O ATOM 799 ND2 ASN A 54 -6.730 0.090 2.820 1.00 0.00 N ATOM 0 H ASN A 54 -2.709 1.649 3.021 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.639 0.436 0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.765 2.087 2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.697 2.005 1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.144 -0.796 3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.279 0.949 2.866 1.00 0.00 H new ATOM 806 N LYS A 55 -3.411 3.740 0.643 1.00 0.00 N ATOM 807 CA LYS A 55 -3.328 4.912 -0.220 1.00 0.00 C ATOM 808 C LYS A 55 -2.040 4.895 -1.037 1.00 0.00 C ATOM 809 O LYS A 55 -2.015 5.346 -2.182 1.00 0.00 O ATOM 810 CB LYS A 55 -3.398 6.192 0.616 1.00 0.00 C ATOM 811 CG LYS A 55 -2.213 6.376 1.548 1.00 0.00 C ATOM 812 CD LYS A 55 -2.024 7.835 1.927 1.00 0.00 C ATOM 813 CE LYS A 55 -3.192 8.353 2.752 1.00 0.00 C ATOM 814 NZ LYS A 55 -3.216 7.754 4.116 1.00 0.00 N ATOM 0 H LYS A 55 -3.328 3.943 1.639 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.174 4.888 -0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.460 7.050 -0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.315 6.181 1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.362 5.781 2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.309 6.004 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.099 7.948 2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.920 8.436 1.024 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.127 9.438 2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.127 8.127 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.975 8.194 4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.389 6.731 4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.302 7.918 4.583 1.00 0.00 H new ATOM 828 N ILE A 56 -0.973 4.373 -0.441 1.00 0.00 N ATOM 829 CA ILE A 56 0.317 4.296 -1.115 1.00 0.00 C ATOM 830 C ILE A 56 0.302 3.235 -2.211 1.00 0.00 C ATOM 831 O ILE A 56 0.693 3.497 -3.349 1.00 0.00 O ATOM 832 CB ILE A 56 1.452 3.978 -0.124 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.658 5.148 0.841 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.739 3.670 -0.874 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.351 4.756 2.127 1.00 0.00 C ATOM 0 H ILE A 56 -0.977 3.997 0.507 1.00 0.00 H new ATOM 0 HA ILE A 56 0.499 5.274 -1.561 1.00 0.00 H new ATOM 0 HB ILE A 56 1.173 3.098 0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.244 5.920 0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.689 5.587 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.532 3.447 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.584 2.809 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.025 4.533 -1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.463 5.635 2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.755 4.006 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.334 4.345 1.900 1.00 0.00 H new ATOM 847 N LEU A 57 -0.153 2.037 -1.860 1.00 0.00 N ATOM 848 CA LEU A 57 -0.221 0.936 -2.814 1.00 0.00 C ATOM 849 C LEU A 57 -0.998 1.343 -4.062 1.00 0.00 C ATOM 850 O LEU A 57 -0.617 1.005 -5.182 1.00 0.00 O ATOM 851 CB LEU A 57 -0.876 -0.286 -2.167 1.00 0.00 C ATOM 852 CG LEU A 57 0.037 -1.159 -1.305 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.722 -2.367 -0.778 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.259 -1.599 -2.098 1.00 0.00 C ATOM 0 H LEU A 57 -0.480 1.804 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 57 0.797 0.681 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.707 0.056 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.300 -0.907 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 57 0.375 -0.568 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.056 -2.977 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.565 -2.032 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.090 -2.960 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.897 -2.219 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.941 -2.172 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.816 -0.721 -2.426 1.00 0.00 H new ATOM 866 N LYS A 58 -2.090 2.073 -3.860 1.00 0.00 N ATOM 867 CA LYS A 58 -2.920 2.531 -4.967 1.00 0.00 C ATOM 868 C LYS A 58 -2.195 3.590 -5.790 1.00 0.00 C ATOM 869 O LYS A 58 -1.963 3.411 -6.985 1.00 0.00 O ATOM 870 CB LYS A 58 -4.242 3.095 -4.441 1.00 0.00 C ATOM 871 CG LYS A 58 -5.360 3.085 -5.470 1.00 0.00 C ATOM 872 CD LYS A 58 -5.238 4.250 -6.437 1.00 0.00 C ATOM 873 CE LYS A 58 -6.489 4.401 -7.289 1.00 0.00 C ATOM 874 NZ LYS A 58 -7.619 4.987 -6.516 1.00 0.00 N ATOM 0 H LYS A 58 -2.421 2.360 -2.939 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.127 1.676 -5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.554 2.516 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.081 4.118 -4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.337 2.147 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.323 3.132 -4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.063 5.170 -5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.373 4.099 -7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.269 5.035 -8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.783 3.426 -7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.407 5.199 -7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.935 4.308 -5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.305 5.863 -6.053 1.00 0.00 H new ATOM 888 N ASN A 59 -1.837 4.694 -5.142 1.00 0.00 N ATOM 889 CA ASN A 59 -1.136 5.782 -5.814 1.00 0.00 C ATOM 890 C ASN A 59 -0.179 5.241 -6.872 1.00 0.00 C ATOM 891 O ASN A 59 -0.293 5.568 -8.054 1.00 0.00 O ATOM 892 CB ASN A 59 -0.366 6.626 -4.797 1.00 0.00 C ATOM 893 CG ASN A 59 -1.194 7.775 -4.254 1.00 0.00 C ATOM 894 OD1 ASN A 59 -2.161 8.208 -4.880 1.00 0.00 O ATOM 895 ND2 ASN A 59 -0.816 8.274 -3.082 1.00 0.00 N ATOM 0 H ASN A 59 -2.021 4.859 -4.152 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.878 6.409 -6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.045 5.991 -3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.536 7.021 -5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.334 9.048 -2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.007 7.883 -2.598 1.00 0.00 H new ATOM 902 N LEU A 60 0.764 4.412 -6.439 1.00 0.00 N ATOM 903 CA LEU A 60 1.742 3.824 -7.348 1.00 0.00 C ATOM 904 C LEU A 60 1.052 3.176 -8.545 1.00 0.00 C ATOM 905 O LEU A 60 1.438 3.401 -9.692 1.00 0.00 O ATOM 906 CB LEU A 60 2.593 2.787 -6.613 1.00 0.00 C ATOM 907 CG LEU A 60 3.413 3.308 -5.432 1.00 0.00 C ATOM 908 CD1 LEU A 60 4.192 2.174 -4.782 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.356 4.414 -5.884 1.00 0.00 C ATOM 0 H LEU A 60 0.872 4.132 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 60 2.388 4.623 -7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.935 1.996 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.275 2.332 -7.331 1.00 0.00 H new ATOM 0 HG LEU A 60 2.727 3.722 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.770 2.563 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.497 1.415 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.868 1.731 -5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.931 4.773 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.036 4.025 -6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.777 5.237 -6.303 1.00 0.00 H new ATOM 921 N GLU A 61 0.029 2.374 -8.269 1.00 0.00 N ATOM 922 CA GLU A 61 -0.715 1.695 -9.324 1.00 0.00 C ATOM 923 C GLU A 61 -1.282 2.700 -10.322 1.00 0.00 C ATOM 924 O GLU A 61 -1.694 2.333 -11.422 1.00 0.00 O ATOM 925 CB GLU A 61 -1.848 0.860 -8.723 1.00 0.00 C ATOM 926 CG GLU A 61 -1.412 -0.525 -8.276 1.00 0.00 C ATOM 927 CD GLU A 61 -2.586 -1.447 -8.007 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.660 -0.941 -7.621 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.429 -2.673 -8.182 1.00 0.00 O ATOM 0 H GLU A 61 -0.304 2.178 -7.325 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.027 1.034 -9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.267 1.393 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.645 0.761 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.776 -0.967 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.808 -0.438 -7.373 1.00 0.00 H new ATOM 936 N SER A 62 -1.301 3.969 -9.929 1.00 0.00 N ATOM 937 CA SER A 62 -1.822 5.027 -10.786 1.00 0.00 C ATOM 938 C SER A 62 -0.688 5.758 -11.498 1.00 0.00 C ATOM 939 O SER A 62 -0.846 6.228 -12.625 1.00 0.00 O ATOM 940 CB SER A 62 -2.646 6.020 -9.964 1.00 0.00 C ATOM 941 OG SER A 62 -3.642 6.639 -10.760 1.00 0.00 O ATOM 0 H SER A 62 -0.961 4.290 -9.022 1.00 0.00 H new ATOM 0 HA SER A 62 -2.464 4.567 -11.538 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.115 5.503 -9.127 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.989 6.780 -9.542 1.00 0.00 H new ATOM 0 HG SER A 62 -4.156 7.268 -10.211 1.00 0.00 H new ATOM 947 N LYS A 63 0.458 5.850 -10.832 1.00 0.00 N ATOM 948 CA LYS A 63 1.622 6.521 -11.399 1.00 0.00 C ATOM 949 C LYS A 63 2.329 5.624 -12.409 1.00 0.00 C ATOM 950 O LYS A 63 3.427 5.936 -12.871 1.00 0.00 O ATOM 951 CB LYS A 63 2.595 6.923 -10.289 1.00 0.00 C ATOM 952 CG LYS A 63 1.920 7.572 -9.093 1.00 0.00 C ATOM 953 CD LYS A 63 2.712 7.350 -7.816 1.00 0.00 C ATOM 954 CE LYS A 63 3.715 8.469 -7.580 1.00 0.00 C ATOM 955 NZ LYS A 63 5.034 8.173 -8.205 1.00 0.00 N ATOM 0 H LYS A 63 0.606 5.468 -9.898 1.00 0.00 H new ATOM 0 HA LYS A 63 1.278 7.418 -11.915 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.136 6.038 -9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.334 7.613 -10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.810 8.641 -9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.916 7.164 -8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.029 7.288 -6.969 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.236 6.396 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.322 9.401 -7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.846 8.619 -6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.684 8.967 -8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.430 7.307 -7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.911 8.038 -9.229 1.00 0.00 H new ATOM 969 N LYS A 64 1.693 4.508 -12.750 1.00 0.00 N ATOM 970 CA LYS A 64 2.259 3.566 -13.708 1.00 0.00 C ATOM 971 C LYS A 64 3.566 2.977 -13.185 1.00 0.00 C ATOM 972 O LYS A 64 4.533 2.824 -13.932 1.00 0.00 O ATOM 973 CB LYS A 64 2.501 4.257 -15.052 1.00 0.00 C ATOM 974 CG LYS A 64 1.242 4.837 -15.673 1.00 0.00 C ATOM 975 CD LYS A 64 0.344 3.747 -16.234 1.00 0.00 C ATOM 976 CE LYS A 64 -0.698 4.317 -17.183 1.00 0.00 C ATOM 977 NZ LYS A 64 -1.402 3.247 -17.942 1.00 0.00 N ATOM 0 H LYS A 64 0.784 4.234 -12.376 1.00 0.00 H new ATOM 0 HA LYS A 64 1.545 2.754 -13.847 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.229 5.056 -14.914 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.941 3.540 -15.745 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.696 5.410 -14.923 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.514 5.531 -16.468 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.950 3.009 -16.759 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.154 3.227 -15.415 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.425 4.899 -16.617 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.217 5.001 -17.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.104 3.677 -18.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.712 2.707 -18.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.883 2.608 -17.277 1.00 0.00 H new ATOM 991 N LEU A 65 3.587 2.647 -11.898 1.00 0.00 N ATOM 992 CA LEU A 65 4.775 2.074 -11.275 1.00 0.00 C ATOM 993 C LEU A 65 4.529 0.625 -10.866 1.00 0.00 C ATOM 994 O LEU A 65 5.430 -0.212 -10.936 1.00 0.00 O ATOM 995 CB LEU A 65 5.183 2.898 -10.054 1.00 0.00 C ATOM 996 CG LEU A 65 5.632 4.333 -10.332 1.00 0.00 C ATOM 997 CD1 LEU A 65 6.071 5.014 -9.045 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.757 4.351 -11.357 1.00 0.00 C ATOM 0 H LEU A 65 2.795 2.766 -11.266 1.00 0.00 H new ATOM 0 HA LEU A 65 5.584 2.094 -12.005 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.340 2.930 -9.364 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.993 2.377 -9.544 1.00 0.00 H new ATOM 0 HG LEU A 65 4.786 4.885 -10.741 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.387 6.034 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.238 5.034 -8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.903 4.462 -8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.064 5.380 -11.542 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.605 3.783 -10.976 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.409 3.903 -12.288 1.00 0.00 H new ATOM 1010 N ILE A 66 3.304 0.335 -10.442 1.00 0.00 N ATOM 1011 CA ILE A 66 2.939 -1.013 -10.025 1.00 0.00 C ATOM 1012 C ILE A 66 1.538 -1.377 -10.505 1.00 0.00 C ATOM 1013 O ILE A 66 0.842 -0.556 -11.102 1.00 0.00 O ATOM 1014 CB ILE A 66 3.000 -1.165 -8.493 1.00 0.00 C ATOM 1015 CG1 ILE A 66 1.920 -0.307 -7.831 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.379 -0.782 -7.978 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.626 -0.704 -6.401 1.00 0.00 C ATOM 0 H ILE A 66 2.547 1.016 -10.378 1.00 0.00 H new ATOM 0 HA ILE A 66 3.663 -1.690 -10.478 1.00 0.00 H new ATOM 0 HB ILE A 66 2.815 -2.208 -8.238 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.233 0.737 -7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.002 -0.377 -8.415 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.407 -0.894 -6.894 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.129 -1.431 -8.430 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.591 0.254 -8.241 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.851 -0.054 -5.995 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.283 -1.738 -6.374 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.532 -0.606 -5.803 1.00 0.00 H new ATOM 1029 N LYS A 67 1.130 -2.613 -10.239 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.189 -3.087 -10.641 1.00 0.00 C ATOM 1031 C LYS A 67 -0.673 -4.198 -9.715 1.00 0.00 C ATOM 1032 O LYS A 67 0.108 -4.771 -8.957 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.155 -3.591 -12.085 1.00 0.00 C ATOM 1034 CG LYS A 67 0.871 -4.685 -12.324 1.00 0.00 C ATOM 1035 CD LYS A 67 0.629 -5.399 -13.643 1.00 0.00 C ATOM 1036 CE LYS A 67 1.495 -6.643 -13.771 1.00 0.00 C ATOM 1037 NZ LYS A 67 1.384 -7.260 -15.122 1.00 0.00 N ATOM 0 H LYS A 67 1.694 -3.305 -9.746 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.885 -2.251 -10.571 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.143 -3.966 -12.353 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.059 -2.753 -12.748 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.872 -4.253 -12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.833 -5.406 -11.507 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.422 -5.677 -13.720 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.841 -4.720 -14.469 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.535 -6.383 -13.575 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.200 -7.370 -13.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.989 -8.105 -15.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.396 -7.532 -15.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.690 -6.575 -15.843 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.966 -4.498 -9.784 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.553 -5.543 -8.954 1.00 0.00 C ATOM 1053 C ALA A 68 -2.591 -6.875 -9.695 1.00 0.00 C ATOM 1054 O ALA A 68 -3.205 -6.990 -10.756 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.952 -5.142 -8.512 1.00 0.00 C ATOM 0 H ALA A 68 -2.627 -4.032 -10.406 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.927 -5.666 -8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.378 -5.931 -7.893 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.901 -4.218 -7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.581 -4.989 -9.389 1.00 0.00 H new ATOM 1061 N VAL A 69 -1.931 -7.881 -9.130 1.00 0.00 N ATOM 1062 CA VAL A 69 -1.890 -9.206 -9.737 1.00 0.00 C ATOM 1063 C VAL A 69 -2.330 -10.278 -8.746 1.00 0.00 C ATOM 1064 O VAL A 69 -2.195 -10.113 -7.534 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.478 -9.545 -10.250 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.422 -10.980 -10.751 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.061 -8.573 -11.343 1.00 0.00 C ATOM 0 H VAL A 69 -1.417 -7.803 -8.252 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.580 -9.189 -10.580 1.00 0.00 H new ATOM 0 HB VAL A 69 0.224 -9.447 -9.422 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.583 -11.201 -11.109 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.675 -11.660 -9.937 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.134 -11.109 -11.566 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.939 -8.827 -11.694 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.764 -8.636 -12.174 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.059 -7.558 -10.946 1.00 0.00 H new ATOM 1223 N VAL A 79 -1.960 -8.546 -4.768 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.510 -8.435 -4.872 1.00 0.00 C ATOM 1225 C VAL A 79 -0.111 -7.249 -5.744 1.00 0.00 C ATOM 1226 O VAL A 79 -0.669 -7.042 -6.821 1.00 0.00 O ATOM 1227 CB VAL A 79 0.111 -9.718 -5.455 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.630 -9.631 -5.441 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.368 -10.939 -4.685 1.00 0.00 C ATOM 0 HA VAL A 79 -0.131 -8.284 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.213 -9.819 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.051 -10.547 -5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.951 -8.779 -6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.978 -9.505 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.081 -11.837 -5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.075 -10.848 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.454 -11.009 -4.753 1.00 0.00 H new ATOM 1239 N TYR A 80 0.858 -6.474 -5.270 1.00 0.00 N ATOM 1240 CA TYR A 80 1.331 -5.307 -6.006 1.00 0.00 C ATOM 1241 C TYR A 80 2.783 -5.487 -6.438 1.00 0.00 C ATOM 1242 O TYR A 80 3.688 -5.542 -5.605 1.00 0.00 O ATOM 1243 CB TYR A 80 1.195 -4.048 -5.148 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.226 -3.756 -4.722 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -1.085 -3.038 -5.545 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.710 -4.198 -3.497 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.384 -2.769 -5.160 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -2.008 -3.934 -3.105 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.841 -3.219 -3.939 1.00 0.00 C ATOM 1250 OH TYR A 80 -4.134 -2.953 -3.553 1.00 0.00 O ATOM 0 H TYR A 80 1.331 -6.632 -4.380 1.00 0.00 H new ATOM 0 HA TYR A 80 0.716 -5.198 -6.899 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.817 -4.155 -4.259 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.581 -3.195 -5.706 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.731 -2.684 -6.502 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.060 -4.757 -2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.038 -2.209 -5.812 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.369 -4.286 -2.150 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.297 -3.340 -2.668 1.00 0.00 H new ATOM 1260 N MET A 81 2.998 -5.577 -7.746 1.00 0.00 N ATOM 1261 CA MET A 81 4.340 -5.749 -8.290 1.00 0.00 C ATOM 1262 C MET A 81 4.633 -4.698 -9.356 1.00 0.00 C ATOM 1263 O MET A 81 3.750 -3.935 -9.750 1.00 0.00 O ATOM 1264 CB MET A 81 4.497 -7.151 -8.883 1.00 0.00 C ATOM 1265 CG MET A 81 3.872 -7.301 -10.261 1.00 0.00 C ATOM 1266 SD MET A 81 4.123 -8.943 -10.962 1.00 0.00 S ATOM 1267 CE MET A 81 2.869 -9.879 -10.090 1.00 0.00 C ATOM 0 H MET A 81 2.260 -5.534 -8.449 1.00 0.00 H new ATOM 0 HA MET A 81 5.054 -5.624 -7.476 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.558 -7.393 -8.946 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.044 -7.876 -8.207 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.803 -7.098 -10.195 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.298 -6.555 -10.932 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.337 -10.469 -9.302 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.145 -9.194 -9.649 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.361 -10.545 -10.788 1.00 0.00 H new ATOM 1277 N LEU A 82 5.878 -4.662 -9.818 1.00 0.00 N ATOM 1278 CA LEU A 82 6.288 -3.703 -10.838 1.00 0.00 C ATOM 1279 C LEU A 82 5.314 -3.707 -12.012 1.00 0.00 C ATOM 1280 O LEU A 82 4.891 -4.766 -12.477 1.00 0.00 O ATOM 1281 CB LEU A 82 7.700 -4.025 -11.330 1.00 0.00 C ATOM 1282 CG LEU A 82 8.848 -3.499 -10.468 1.00 0.00 C ATOM 1283 CD1 LEU A 82 10.132 -4.254 -10.770 1.00 0.00 C ATOM 1284 CD2 LEU A 82 9.040 -2.006 -10.688 1.00 0.00 C ATOM 0 H LEU A 82 6.621 -5.286 -9.503 1.00 0.00 H new ATOM 0 HA LEU A 82 6.284 -2.709 -10.390 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.798 -5.108 -11.408 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.813 -3.621 -12.336 1.00 0.00 H new ATOM 0 HG LEU A 82 8.594 -3.661 -9.421 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.938 -3.866 -10.147 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.989 -5.314 -10.559 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.392 -4.125 -11.821 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.861 -1.649 -10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.271 -1.820 -11.737 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.125 -1.478 -10.419 1.00 0.00 H new ATOM 1296 N TYR A 83 4.965 -2.517 -12.488 1.00 0.00 N ATOM 1297 CA TYR A 83 4.041 -2.384 -13.608 1.00 0.00 C ATOM 1298 C TYR A 83 4.729 -2.727 -14.926 1.00 0.00 C ATOM 1299 O TYR A 83 4.098 -3.221 -15.859 1.00 0.00 O ATOM 1300 CB TYR A 83 3.480 -0.962 -13.668 1.00 0.00 C ATOM 1301 CG TYR A 83 2.493 -0.747 -14.793 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.417 -1.607 -14.974 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.636 0.318 -15.674 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.514 -1.414 -16.000 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.736 0.519 -16.703 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.677 -0.350 -16.862 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.222 -0.154 -17.885 1.00 0.00 O ATOM 0 H TYR A 83 5.308 -1.631 -12.116 1.00 0.00 H new ATOM 0 HA TYR A 83 3.221 -3.085 -13.454 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.993 -0.732 -12.720 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.306 -0.259 -13.781 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.285 -2.441 -14.300 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.464 1.000 -15.552 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.316 -2.093 -16.127 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.861 1.352 -17.379 1.00 0.00 H new ATOM 0 HH TYR A 83 0.036 0.639 -18.399 1.00 0.00 H new ATOM 1317 N ASN A 84 6.030 -2.460 -14.994 1.00 0.00 N ATOM 1318 CA ASN A 84 6.806 -2.740 -16.196 1.00 0.00 C ATOM 1319 C ASN A 84 6.875 -4.240 -16.463 1.00 0.00 C ATOM 1320 O ASN A 84 6.781 -4.684 -17.608 1.00 0.00 O ATOM 1321 CB ASN A 84 8.219 -2.169 -16.061 1.00 0.00 C ATOM 1322 CG ASN A 84 9.244 -2.973 -16.837 1.00 0.00 C ATOM 1323 OD1 ASN A 84 9.165 -3.085 -18.061 1.00 0.00 O ATOM 1324 ND2 ASN A 84 10.213 -3.538 -16.127 1.00 0.00 N ATOM 0 H ASN A 84 6.568 -2.050 -14.231 1.00 0.00 H new ATOM 0 HA ASN A 84 6.307 -2.262 -17.039 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.227 -1.138 -16.415 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.500 -2.147 -15.008 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.931 -4.091 -16.594 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.239 -3.419 -15.114 1.00 0.00 H new