USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 403 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 22 MET CE :methyl -124:sc= -8.28! (180deg=-14.2!) USER MOD Set 1.2: A 65 MET CE :methyl 142:sc= -1.83 (180deg=-2.18!) USER MOD Single : A 17 THR OG1 : rot -49:sc= -0.65 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.59 K(o=-1.6,f=-7.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00298 USER MOD Single : A 41 GLN : amide:sc= -8.47! C(o=-8.5!,f=-6.9!) USER MOD Single : A 45 ASN : amide:sc= -1.24! X(o=-1.2!,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -107:sc= 0.943 USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 1.421 10.634 -3.563 1.00 0.00 N ATOM 262 CA THR A 17 2.614 10.373 -4.350 1.00 0.00 C ATOM 263 C THR A 17 3.084 8.932 -4.145 1.00 0.00 C ATOM 264 O THR A 17 2.773 8.312 -3.129 1.00 0.00 O ATOM 265 CB THR A 17 3.668 11.415 -3.969 1.00 0.00 C ATOM 266 OG1 THR A 17 3.588 11.487 -2.548 1.00 0.00 O ATOM 267 CG2 THR A 17 3.293 12.824 -4.435 1.00 0.00 C ATOM 0 HA THR A 17 2.412 10.467 -5.417 1.00 0.00 H new ATOM 0 HB THR A 17 4.629 11.133 -4.400 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.651 11.585 -2.278 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.074 13.525 -4.140 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.189 12.833 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.349 13.119 -3.978 1.00 0.00 H new ATOM 275 N GLN A 18 3.825 8.440 -5.127 1.00 0.00 N ATOM 276 CA GLN A 18 4.341 7.082 -5.067 1.00 0.00 C ATOM 277 C GLN A 18 5.229 6.906 -3.834 1.00 0.00 C ATOM 278 O GLN A 18 5.290 5.820 -3.259 1.00 0.00 O ATOM 279 CB GLN A 18 5.102 6.729 -6.347 1.00 0.00 C ATOM 280 CG GLN A 18 6.390 7.547 -6.462 1.00 0.00 C ATOM 281 CD GLN A 18 7.122 7.234 -7.769 1.00 0.00 C ATOM 282 OE1 GLN A 18 6.636 6.517 -8.627 1.00 0.00 O ATOM 283 NE2 GLN A 18 8.316 7.811 -7.871 1.00 0.00 N ATOM 0 H GLN A 18 4.081 8.957 -5.968 1.00 0.00 H new ATOM 0 HA GLN A 18 3.498 6.396 -4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.341 5.665 -6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.469 6.917 -7.214 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.155 8.610 -6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.041 7.329 -5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.664 8.400 -7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.884 7.664 -8.706 1.00 0.00 H new ATOM 292 N GLY A 19 5.895 7.989 -3.464 1.00 0.00 N ATOM 293 CA GLY A 19 6.777 7.968 -2.309 1.00 0.00 C ATOM 294 C GLY A 19 5.976 7.875 -1.009 1.00 0.00 C ATOM 295 O GLY A 19 6.377 7.179 -0.077 1.00 0.00 O ATOM 0 H GLY A 19 5.842 8.888 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.458 7.120 -2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.390 8.869 -2.299 1.00 0.00 H new ATOM 299 N GLU A 20 4.858 8.586 -0.988 1.00 0.00 N ATOM 300 CA GLU A 20 3.997 8.592 0.182 1.00 0.00 C ATOM 301 C GLU A 20 3.374 7.210 0.391 1.00 0.00 C ATOM 302 O GLU A 20 3.213 6.763 1.525 1.00 0.00 O ATOM 303 CB GLU A 20 2.916 9.669 0.062 1.00 0.00 C ATOM 304 CG GLU A 20 3.062 10.717 1.167 1.00 0.00 C ATOM 305 CD GLU A 20 2.916 10.080 2.550 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.753 9.876 2.961 1.00 0.00 O ATOM 307 OE2 GLU A 20 3.970 9.812 3.165 1.00 0.00 O ATOM 0 H GLU A 20 4.529 9.162 -1.763 1.00 0.00 H new ATOM 0 HA GLU A 20 4.605 8.830 1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.985 10.151 -0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.930 9.208 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.035 11.202 1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.308 11.493 1.039 1.00 0.00 H new ATOM 314 N LEU A 21 3.041 6.573 -0.722 1.00 0.00 N ATOM 315 CA LEU A 21 2.439 5.251 -0.676 1.00 0.00 C ATOM 316 C LEU A 21 3.447 4.257 -0.097 1.00 0.00 C ATOM 317 O LEU A 21 3.080 3.377 0.680 1.00 0.00 O ATOM 318 CB LEU A 21 1.907 4.856 -2.055 1.00 0.00 C ATOM 319 CG LEU A 21 0.732 3.877 -2.065 1.00 0.00 C ATOM 320 CD1 LEU A 21 1.060 2.618 -1.261 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.550 4.553 -1.573 1.00 0.00 C ATOM 0 H LEU A 21 3.177 6.948 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 21 1.573 5.249 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.603 5.762 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.725 4.417 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 21 0.557 3.565 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.208 1.939 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.929 2.125 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.277 2.892 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.370 3.835 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.404 4.913 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.791 5.394 -2.224 1.00 0.00 H new ATOM 333 N MET A 22 4.698 4.430 -0.499 1.00 0.00 N ATOM 334 CA MET A 22 5.762 3.558 -0.030 1.00 0.00 C ATOM 335 C MET A 22 5.758 3.460 1.497 1.00 0.00 C ATOM 336 O MET A 22 5.681 2.365 2.053 1.00 0.00 O ATOM 337 CB MET A 22 7.112 4.100 -0.503 1.00 0.00 C ATOM 338 CG MET A 22 7.275 3.921 -2.014 1.00 0.00 C ATOM 339 SD MET A 22 8.900 3.281 -2.381 1.00 0.00 S ATOM 340 CE MET A 22 8.836 1.740 -1.483 1.00 0.00 C ATOM 0 H MET A 22 4.998 5.161 -1.144 1.00 0.00 H new ATOM 0 HA MET A 22 5.597 2.562 -0.440 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.194 5.156 -0.247 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.918 3.583 0.017 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.513 3.240 -2.392 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.128 4.875 -2.520 1.00 0.00 H new ATOM 0 HE1 MET A 22 9.667 1.694 -0.780 1.00 0.00 H new ATOM 0 HE2 MET A 22 7.895 1.676 -0.937 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.907 0.908 -2.183 1.00 0.00 H new ATOM 350 N LYS A 23 5.840 4.620 2.132 1.00 0.00 N ATOM 351 CA LYS A 23 5.847 4.679 3.584 1.00 0.00 C ATOM 352 C LYS A 23 4.524 4.128 4.119 1.00 0.00 C ATOM 353 O LYS A 23 4.479 3.563 5.211 1.00 0.00 O ATOM 354 CB LYS A 23 6.160 6.099 4.061 1.00 0.00 C ATOM 355 CG LYS A 23 7.019 6.076 5.327 1.00 0.00 C ATOM 356 CD LYS A 23 6.761 7.314 6.188 1.00 0.00 C ATOM 357 CE LYS A 23 7.773 7.408 7.331 1.00 0.00 C ATOM 358 NZ LYS A 23 8.712 8.529 7.101 1.00 0.00 N ATOM 0 H LYS A 23 5.902 5.526 1.668 1.00 0.00 H new ATOM 0 HA LYS A 23 6.641 4.050 3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.681 6.644 3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.231 6.633 4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.800 5.177 5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.073 6.032 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.821 8.210 5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.750 7.274 6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.250 7.552 8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.327 6.473 7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.392 8.579 7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.224 8.376 6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.181 9.421 7.046 1.00 0.00 H new ATOM 372 N LEU A 24 3.479 4.312 3.325 1.00 0.00 N ATOM 373 CA LEU A 24 2.159 3.840 3.705 1.00 0.00 C ATOM 374 C LEU A 24 2.161 2.310 3.746 1.00 0.00 C ATOM 375 O LEU A 24 1.616 1.710 4.671 1.00 0.00 O ATOM 376 CB LEU A 24 1.092 4.429 2.779 1.00 0.00 C ATOM 377 CG LEU A 24 0.649 5.859 3.092 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.105 6.550 1.840 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.358 5.883 4.243 1.00 0.00 C ATOM 0 H LEU A 24 3.520 4.781 2.420 1.00 0.00 H new ATOM 0 HA LEU A 24 1.905 4.186 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.471 4.402 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.215 3.783 2.811 1.00 0.00 H new ATOM 0 HG LEU A 24 1.523 6.423 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.203 7.565 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.882 6.584 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.752 5.994 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.656 6.912 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.236 5.298 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.100 5.456 5.136 1.00 0.00 H new ATOM 391 N ILE A 25 2.779 1.724 2.732 1.00 0.00 N ATOM 392 CA ILE A 25 2.859 0.276 2.640 1.00 0.00 C ATOM 393 C ILE A 25 3.727 -0.256 3.783 1.00 0.00 C ATOM 394 O ILE A 25 3.368 -1.234 4.437 1.00 0.00 O ATOM 395 CB ILE A 25 3.343 -0.148 1.252 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.187 -0.168 0.251 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.074 -1.491 1.312 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.666 -0.613 -1.132 1.00 0.00 C ATOM 0 H ILE A 25 3.229 2.225 1.966 1.00 0.00 H new ATOM 0 HA ILE A 25 1.870 -0.168 2.756 1.00 0.00 H new ATOM 0 HB ILE A 25 4.061 0.593 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.407 -0.843 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.743 0.825 0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.407 -1.769 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.937 -1.406 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.399 -2.256 1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.824 -0.618 -1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.428 0.078 -1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.088 -1.616 -1.066 1.00 0.00 H new ATOM 410 N LYS A 26 4.853 0.412 3.988 1.00 0.00 N ATOM 411 CA LYS A 26 5.775 0.019 5.040 1.00 0.00 C ATOM 412 C LYS A 26 5.088 0.173 6.399 1.00 0.00 C ATOM 413 O LYS A 26 5.242 -0.676 7.276 1.00 0.00 O ATOM 414 CB LYS A 26 7.086 0.799 4.923 1.00 0.00 C ATOM 415 CG LYS A 26 8.214 0.092 5.677 1.00 0.00 C ATOM 416 CD LYS A 26 8.994 1.079 6.547 1.00 0.00 C ATOM 417 CE LYS A 26 9.377 0.446 7.887 1.00 0.00 C ATOM 418 NZ LYS A 26 10.627 -0.335 7.753 1.00 0.00 N ATOM 0 H LYS A 26 5.148 1.223 3.443 1.00 0.00 H new ATOM 0 HA LYS A 26 6.045 -1.032 4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.357 0.906 3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.952 1.805 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.799 -0.699 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.889 -0.384 4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.894 1.400 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.392 1.971 6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.506 1.224 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.572 -0.202 8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.872 -0.758 8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.491 -1.089 7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.397 0.292 7.444 1.00 0.00 H new ATOM 432 N GLU A 27 4.343 1.261 6.529 1.00 0.00 N ATOM 433 CA GLU A 27 3.632 1.537 7.766 1.00 0.00 C ATOM 434 C GLU A 27 2.608 0.435 8.046 1.00 0.00 C ATOM 435 O GLU A 27 2.342 0.109 9.202 1.00 0.00 O ATOM 436 CB GLU A 27 2.960 2.910 7.717 1.00 0.00 C ATOM 437 CG GLU A 27 3.764 3.942 8.512 1.00 0.00 C ATOM 438 CD GLU A 27 4.868 4.559 7.651 1.00 0.00 C ATOM 439 OE1 GLU A 27 4.526 5.449 6.843 1.00 0.00 O ATOM 440 OE2 GLU A 27 6.028 4.126 7.821 1.00 0.00 O ATOM 0 H GLU A 27 4.216 1.962 5.799 1.00 0.00 H new ATOM 0 HA GLU A 27 4.354 1.551 8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.866 3.236 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.950 2.840 8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.099 4.726 8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.204 3.468 9.389 1.00 0.00 H new ATOM 447 N ILE A 28 2.060 -0.107 6.968 1.00 0.00 N ATOM 448 CA ILE A 28 1.071 -1.165 7.083 1.00 0.00 C ATOM 449 C ILE A 28 1.740 -2.426 7.635 1.00 0.00 C ATOM 450 O ILE A 28 1.177 -3.109 8.488 1.00 0.00 O ATOM 451 CB ILE A 28 0.359 -1.382 5.746 1.00 0.00 C ATOM 452 CG1 ILE A 28 -0.873 -0.483 5.629 1.00 0.00 C ATOM 453 CG2 ILE A 28 0.014 -2.858 5.542 1.00 0.00 C ATOM 454 CD1 ILE A 28 -0.911 0.221 4.271 1.00 0.00 C ATOM 0 H ILE A 28 2.282 0.167 6.011 1.00 0.00 H new ATOM 0 HA ILE A 28 0.292 -0.881 7.790 1.00 0.00 H new ATOM 0 HB ILE A 28 1.042 -1.098 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.776 -1.079 5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.863 0.259 6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.491 -2.985 4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.929 -3.450 5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.642 -3.193 6.345 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.797 0.854 4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.018 0.835 4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.945 -0.524 3.476 1.00 0.00 H new ATOM 466 N VAL A 29 2.933 -2.695 7.125 1.00 0.00 N ATOM 467 CA VAL A 29 3.685 -3.861 7.556 1.00 0.00 C ATOM 468 C VAL A 29 4.610 -3.468 8.709 1.00 0.00 C ATOM 469 O VAL A 29 5.587 -4.162 8.990 1.00 0.00 O ATOM 470 CB VAL A 29 4.435 -4.469 6.368 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.001 -3.375 5.460 1.00 0.00 C ATOM 472 CG2 VAL A 29 5.540 -5.414 6.843 1.00 0.00 C ATOM 0 H VAL A 29 3.397 -2.126 6.417 1.00 0.00 H new ATOM 0 HA VAL A 29 3.012 -4.633 7.928 1.00 0.00 H new ATOM 0 HB VAL A 29 3.723 -5.053 5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.529 -3.833 4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.186 -2.759 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.692 -2.752 6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.057 -5.832 5.979 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.250 -4.863 7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.101 -6.221 7.429 1.00 0.00 H new ATOM 482 N GLU A 30 4.271 -2.357 9.346 1.00 0.00 N ATOM 483 CA GLU A 30 5.059 -1.864 10.463 1.00 0.00 C ATOM 484 C GLU A 30 4.932 -2.809 11.660 1.00 0.00 C ATOM 485 O GLU A 30 5.852 -2.916 12.470 1.00 0.00 O ATOM 486 CB GLU A 30 4.643 -0.441 10.841 1.00 0.00 C ATOM 487 CG GLU A 30 3.390 -0.451 11.719 1.00 0.00 C ATOM 488 CD GLU A 30 2.908 0.974 12.002 1.00 0.00 C ATOM 489 OE1 GLU A 30 3.786 1.838 12.214 1.00 0.00 O ATOM 490 OE2 GLU A 30 1.673 1.166 11.999 1.00 0.00 O ATOM 0 H GLU A 30 3.461 -1.784 9.110 1.00 0.00 H new ATOM 0 HA GLU A 30 6.105 -1.833 10.159 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.459 0.052 11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.454 0.139 9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.599 -1.015 11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.604 -0.960 12.659 1.00 0.00 H new ATOM 497 N ASN A 31 3.786 -3.469 11.734 1.00 0.00 N ATOM 498 CA ASN A 31 3.527 -4.400 12.819 1.00 0.00 C ATOM 499 C ASN A 31 2.768 -5.612 12.274 1.00 0.00 C ATOM 500 O ASN A 31 1.671 -5.921 12.739 1.00 0.00 O ATOM 501 CB ASN A 31 2.669 -3.754 13.907 1.00 0.00 C ATOM 502 CG ASN A 31 1.339 -3.259 13.335 1.00 0.00 C ATOM 503 OD1 ASN A 31 1.288 -2.465 12.410 1.00 0.00 O ATOM 504 ND2 ASN A 31 0.268 -3.771 13.935 1.00 0.00 N ATOM 0 H ASN A 31 3.026 -3.378 11.060 1.00 0.00 H new ATOM 0 HA ASN A 31 4.485 -4.696 13.246 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.481 -4.475 14.703 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.210 -2.920 14.354 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.666 -3.503 13.626 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.381 -4.431 14.704 1.00 0.00 H new ATOM 511 N GLU A 32 3.380 -6.264 11.297 1.00 0.00 N ATOM 512 CA GLU A 32 2.775 -7.435 10.685 1.00 0.00 C ATOM 513 C GLU A 32 2.571 -8.534 11.729 1.00 0.00 C ATOM 514 O GLU A 32 2.595 -8.268 12.930 1.00 0.00 O ATOM 515 CB GLU A 32 3.620 -7.940 9.514 1.00 0.00 C ATOM 516 CG GLU A 32 4.808 -8.766 10.012 1.00 0.00 C ATOM 517 CD GLU A 32 4.791 -10.171 9.408 1.00 0.00 C ATOM 518 OE1 GLU A 32 4.941 -10.259 8.170 1.00 0.00 O ATOM 519 OE2 GLU A 32 4.627 -11.126 10.198 1.00 0.00 O ATOM 0 H GLU A 32 4.289 -6.004 10.914 1.00 0.00 H new ATOM 0 HA GLU A 32 1.799 -7.151 10.290 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.003 -8.546 8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.980 -7.094 8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.740 -8.265 9.749 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.778 -8.834 11.099 1.00 0.00 H new ATOM 526 N ASP A 33 2.375 -9.747 11.234 1.00 0.00 N ATOM 527 CA ASP A 33 2.167 -10.889 12.109 1.00 0.00 C ATOM 528 C ASP A 33 2.472 -12.177 11.341 1.00 0.00 C ATOM 529 O ASP A 33 2.487 -12.182 10.111 1.00 0.00 O ATOM 530 CB ASP A 33 0.716 -10.957 12.589 1.00 0.00 C ATOM 531 CG ASP A 33 0.504 -11.718 13.899 1.00 0.00 C ATOM 532 OD1 ASP A 33 0.827 -11.132 14.955 1.00 0.00 O ATOM 533 OD2 ASP A 33 0.023 -12.869 13.816 1.00 0.00 O ATOM 0 H ASP A 33 2.356 -9.964 10.238 1.00 0.00 H new ATOM 0 HA ASP A 33 2.827 -10.780 12.969 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.342 -9.941 12.712 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.113 -11.427 11.812 1.00 0.00 H new ATOM 538 N LYS A 34 2.707 -13.238 12.099 1.00 0.00 N ATOM 539 CA LYS A 34 3.011 -14.529 11.506 1.00 0.00 C ATOM 540 C LYS A 34 1.718 -15.167 10.994 1.00 0.00 C ATOM 541 O LYS A 34 1.735 -15.917 10.019 1.00 0.00 O ATOM 542 CB LYS A 34 3.780 -15.406 12.495 1.00 0.00 C ATOM 543 CG LYS A 34 5.110 -15.870 11.898 1.00 0.00 C ATOM 544 CD LYS A 34 5.481 -17.266 12.404 1.00 0.00 C ATOM 545 CE LYS A 34 6.043 -17.202 13.825 1.00 0.00 C ATOM 546 NZ LYS A 34 7.522 -17.265 13.801 1.00 0.00 N ATOM 0 H LYS A 34 2.693 -13.230 13.119 1.00 0.00 H new ATOM 0 HA LYS A 34 3.669 -14.407 10.646 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.964 -14.849 13.413 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.176 -16.273 12.764 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.041 -15.880 10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.897 -15.163 12.161 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.601 -17.909 12.386 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.218 -17.715 11.737 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.720 -16.280 14.309 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.647 -18.028 14.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.887 -17.220 14.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.824 -18.156 13.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.895 -16.463 13.254 1.00 0.00 H new ATOM 560 N ARG A 35 0.628 -14.846 11.675 1.00 0.00 N ATOM 561 CA ARG A 35 -0.671 -15.379 11.302 1.00 0.00 C ATOM 562 C ARG A 35 -1.210 -14.650 10.070 1.00 0.00 C ATOM 563 O ARG A 35 -1.585 -15.283 9.084 1.00 0.00 O ATOM 564 CB ARG A 35 -1.675 -15.237 12.449 1.00 0.00 C ATOM 565 CG ARG A 35 -1.367 -16.230 13.572 1.00 0.00 C ATOM 566 CD ARG A 35 -2.656 -16.787 14.180 1.00 0.00 C ATOM 567 NE ARG A 35 -2.510 -18.237 14.435 1.00 0.00 N ATOM 568 CZ ARG A 35 -3.482 -19.014 14.933 1.00 0.00 C ATOM 569 NH1 ARG A 35 -4.676 -18.485 15.232 1.00 0.00 N ATOM 570 NH2 ARG A 35 -3.259 -20.320 15.132 1.00 0.00 N ATOM 0 H ARG A 35 0.618 -14.223 12.483 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.542 -16.437 11.075 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.645 -14.220 12.840 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.685 -15.406 12.076 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.761 -17.048 13.183 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.778 -15.738 14.346 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.883 -16.267 15.111 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.493 -16.611 13.504 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.614 -18.673 14.218 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.846 -17.491 15.081 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.415 -19.077 15.611 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.350 -20.723 14.905 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.998 -20.912 15.511 1.00 0.00 H new ATOM 584 N LYS A 36 -1.231 -13.329 10.165 1.00 0.00 N ATOM 585 CA LYS A 36 -1.717 -12.507 9.070 1.00 0.00 C ATOM 586 C LYS A 36 -0.696 -11.407 8.771 1.00 0.00 C ATOM 587 O LYS A 36 -0.884 -10.257 9.163 1.00 0.00 O ATOM 588 CB LYS A 36 -3.118 -11.977 9.379 1.00 0.00 C ATOM 589 CG LYS A 36 -4.139 -12.505 8.369 1.00 0.00 C ATOM 590 CD LYS A 36 -5.489 -12.769 9.040 1.00 0.00 C ATOM 591 CE LYS A 36 -6.491 -13.356 8.044 1.00 0.00 C ATOM 592 NZ LYS A 36 -7.858 -13.333 8.610 1.00 0.00 N ATOM 0 H LYS A 36 -0.919 -12.807 10.984 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.819 -13.103 8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.410 -12.275 10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.111 -10.887 9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.265 -11.783 7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.767 -13.425 7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.356 -13.457 9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.882 -11.840 9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.466 -12.786 7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.210 -14.380 7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.526 -13.735 7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.881 -13.896 9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.129 -12.352 8.823 1.00 0.00 H new ATOM 606 N PRO A 37 0.392 -11.810 8.060 1.00 0.00 N ATOM 607 CA PRO A 37 1.443 -10.872 7.704 1.00 0.00 C ATOM 608 C PRO A 37 0.995 -9.955 6.565 1.00 0.00 C ATOM 609 O PRO A 37 0.084 -10.293 5.811 1.00 0.00 O ATOM 610 CB PRO A 37 2.635 -11.740 7.335 1.00 0.00 C ATOM 611 CG PRO A 37 2.073 -13.123 7.050 1.00 0.00 C ATOM 612 CD PRO A 37 0.648 -13.165 7.579 1.00 0.00 C ATOM 0 HA PRO A 37 1.698 -10.195 8.519 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.153 -11.342 6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.360 -11.773 8.148 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.089 -13.329 5.980 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.681 -13.889 7.531 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.057 -13.448 6.797 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.544 -13.896 8.381 1.00 0.00 H new ATOM 620 N TYR A 38 1.657 -8.810 6.475 1.00 0.00 N ATOM 621 CA TYR A 38 1.339 -7.841 5.440 1.00 0.00 C ATOM 622 C TYR A 38 2.095 -8.152 4.146 1.00 0.00 C ATOM 623 O TYR A 38 2.715 -7.268 3.557 1.00 0.00 O ATOM 624 CB TYR A 38 1.804 -6.485 5.975 1.00 0.00 C ATOM 625 CG TYR A 38 0.917 -5.917 7.084 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.332 -5.415 6.781 1.00 0.00 C ATOM 627 CD2 TYR A 38 1.367 -5.906 8.389 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.166 -4.880 7.825 1.00 0.00 C ATOM 629 CE2 TYR A 38 0.532 -5.371 9.434 1.00 0.00 C ATOM 630 CZ TYR A 38 -0.693 -4.884 9.100 1.00 0.00 C ATOM 631 OH TYR A 38 -1.481 -4.379 10.087 1.00 0.00 O ATOM 0 H TYR A 38 2.412 -8.532 7.102 1.00 0.00 H new ATOM 0 HA TYR A 38 0.273 -7.858 5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.822 -6.584 6.353 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.838 -5.773 5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.684 -5.424 5.760 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.345 -6.298 8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.146 -4.484 7.601 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.871 -5.357 10.459 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.014 -4.448 10.946 1.00 0.00 H new ATOM 641 N SER A 39 2.019 -9.412 3.742 1.00 0.00 N ATOM 642 CA SER A 39 2.688 -9.850 2.530 1.00 0.00 C ATOM 643 C SER A 39 2.051 -9.181 1.310 1.00 0.00 C ATOM 644 O SER A 39 0.993 -8.564 1.417 1.00 0.00 O ATOM 645 CB SER A 39 2.632 -11.373 2.390 1.00 0.00 C ATOM 646 OG SER A 39 2.761 -12.030 3.647 1.00 0.00 O ATOM 0 H SER A 39 1.504 -10.143 4.233 1.00 0.00 H new ATOM 0 HA SER A 39 3.736 -9.556 2.592 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.688 -11.660 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.428 -11.705 1.724 1.00 0.00 H new ATOM 0 HG SER A 39 2.719 -13.000 3.515 1.00 0.00 H new ATOM 652 N ASP A 40 2.724 -9.326 0.177 1.00 0.00 N ATOM 653 CA ASP A 40 2.237 -8.744 -1.062 1.00 0.00 C ATOM 654 C ASP A 40 0.749 -9.060 -1.219 1.00 0.00 C ATOM 655 O ASP A 40 -0.007 -8.255 -1.761 1.00 0.00 O ATOM 656 CB ASP A 40 2.974 -9.324 -2.270 1.00 0.00 C ATOM 657 CG ASP A 40 3.342 -10.805 -2.154 1.00 0.00 C ATOM 658 OD1 ASP A 40 4.383 -11.083 -1.521 1.00 0.00 O ATOM 659 OD2 ASP A 40 2.572 -11.625 -2.699 1.00 0.00 O ATOM 0 H ASP A 40 3.602 -9.838 0.092 1.00 0.00 H new ATOM 0 HA ASP A 40 2.407 -7.668 -1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.353 -9.188 -3.155 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.887 -8.750 -2.430 1.00 0.00 H new ATOM 664 N GLN A 41 0.372 -10.235 -0.735 1.00 0.00 N ATOM 665 CA GLN A 41 -1.013 -10.668 -0.815 1.00 0.00 C ATOM 666 C GLN A 41 -1.898 -9.781 0.063 1.00 0.00 C ATOM 667 O GLN A 41 -3.047 -9.509 -0.282 1.00 0.00 O ATOM 668 CB GLN A 41 -1.151 -12.140 -0.422 1.00 0.00 C ATOM 669 CG GLN A 41 -2.356 -12.352 0.497 1.00 0.00 C ATOM 670 CD GLN A 41 -2.074 -11.816 1.902 1.00 0.00 C ATOM 671 OE1 GLN A 41 -1.010 -12.010 2.467 1.00 0.00 O ATOM 672 NE2 GLN A 41 -3.084 -11.132 2.433 1.00 0.00 N ATOM 0 H GLN A 41 1.002 -10.900 -0.286 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.345 -10.569 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.261 -12.751 -1.318 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.243 -12.472 0.081 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.229 -11.849 0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.595 -13.414 0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.948 -11.007 1.906 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.994 -10.733 3.367 1.00 0.00 H new ATOM 681 N GLU A 42 -1.329 -9.354 1.181 1.00 0.00 N ATOM 682 CA GLU A 42 -2.052 -8.503 2.111 1.00 0.00 C ATOM 683 C GLU A 42 -2.039 -7.053 1.624 1.00 0.00 C ATOM 684 O GLU A 42 -3.060 -6.535 1.176 1.00 0.00 O ATOM 685 CB GLU A 42 -1.470 -8.614 3.521 1.00 0.00 C ATOM 686 CG GLU A 42 -2.576 -8.561 4.577 1.00 0.00 C ATOM 687 CD GLU A 42 -2.539 -7.238 5.344 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.536 -6.188 4.665 1.00 0.00 O ATOM 689 OE2 GLU A 42 -2.515 -7.306 6.592 1.00 0.00 O ATOM 0 H GLU A 42 -0.376 -9.581 1.464 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.087 -8.841 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.915 -9.547 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.761 -7.803 3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.548 -8.680 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.460 -9.392 5.273 1.00 0.00 H new ATOM 696 N ILE A 43 -0.869 -6.438 1.728 1.00 0.00 N ATOM 697 CA ILE A 43 -0.709 -5.058 1.304 1.00 0.00 C ATOM 698 C ILE A 43 -1.517 -4.824 0.026 1.00 0.00 C ATOM 699 O ILE A 43 -2.294 -3.874 -0.057 1.00 0.00 O ATOM 700 CB ILE A 43 0.774 -4.708 1.166 1.00 0.00 C ATOM 701 CG1 ILE A 43 1.297 -4.029 2.433 1.00 0.00 C ATOM 702 CG2 ILE A 43 1.024 -3.862 -0.084 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.697 -4.534 2.788 1.00 0.00 C ATOM 0 H ILE A 43 -0.023 -6.871 2.100 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.104 -4.380 2.060 1.00 0.00 H new ATOM 0 HB ILE A 43 1.334 -5.635 1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.322 -2.949 2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.616 -4.223 3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.086 -3.627 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.713 -4.418 -0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.452 -2.937 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.045 -4.035 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.664 -5.610 2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.381 -4.317 1.968 1.00 0.00 H new ATOM 715 N ALA A 44 -1.306 -5.707 -0.939 1.00 0.00 N ATOM 716 CA ALA A 44 -2.005 -5.609 -2.209 1.00 0.00 C ATOM 717 C ALA A 44 -3.514 -5.660 -1.961 1.00 0.00 C ATOM 718 O ALA A 44 -4.266 -4.861 -2.518 1.00 0.00 O ATOM 719 CB ALA A 44 -1.530 -6.725 -3.142 1.00 0.00 C ATOM 0 H ALA A 44 -0.661 -6.494 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.782 -4.660 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.055 -6.651 -4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.457 -6.627 -3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.739 -7.693 -2.687 1.00 0.00 H new ATOM 725 N ASN A 45 -3.912 -6.607 -1.124 1.00 0.00 N ATOM 726 CA ASN A 45 -5.318 -6.773 -0.796 1.00 0.00 C ATOM 727 C ASN A 45 -5.794 -5.564 0.013 1.00 0.00 C ATOM 728 O ASN A 45 -6.986 -5.265 0.045 1.00 0.00 O ATOM 729 CB ASN A 45 -5.541 -8.027 0.052 1.00 0.00 C ATOM 730 CG ASN A 45 -5.947 -9.214 -0.823 1.00 0.00 C ATOM 731 OD1 ASN A 45 -7.039 -9.750 -0.721 1.00 0.00 O ATOM 732 ND2 ASN A 45 -5.011 -9.595 -1.687 1.00 0.00 N ATOM 0 H ASN A 45 -3.286 -7.267 -0.663 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.874 -6.865 -1.729 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.629 -8.268 0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.316 -7.836 0.794 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.186 -10.379 -2.316 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.118 -9.103 -1.721 1.00 0.00 H new ATOM 739 N ILE A 46 -4.837 -4.903 0.648 1.00 0.00 N ATOM 740 CA ILE A 46 -5.143 -3.735 1.455 1.00 0.00 C ATOM 741 C ILE A 46 -5.671 -2.620 0.550 1.00 0.00 C ATOM 742 O ILE A 46 -6.598 -1.901 0.921 1.00 0.00 O ATOM 743 CB ILE A 46 -3.928 -3.326 2.290 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.168 -3.594 3.777 1.00 0.00 C ATOM 745 CG2 ILE A 46 -3.545 -1.869 2.024 1.00 0.00 C ATOM 746 CD1 ILE A 46 -2.928 -3.248 4.604 1.00 0.00 C ATOM 0 H ILE A 46 -3.849 -5.155 0.620 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.931 -3.964 2.173 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.082 -3.942 1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.017 -3.005 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.427 -4.643 3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.679 -1.604 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.302 -1.744 0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.381 -1.220 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.126 -3.448 5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.087 -3.856 4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.687 -2.193 4.474 1.00 0.00 H new ATOM 758 N LEU A 47 -5.058 -2.510 -0.619 1.00 0.00 N ATOM 759 CA LEU A 47 -5.454 -1.494 -1.580 1.00 0.00 C ATOM 760 C LEU A 47 -6.945 -1.645 -1.889 1.00 0.00 C ATOM 761 O LEU A 47 -7.647 -0.653 -2.079 1.00 0.00 O ATOM 762 CB LEU A 47 -4.560 -1.552 -2.820 1.00 0.00 C ATOM 763 CG LEU A 47 -5.101 -2.363 -3.999 1.00 0.00 C ATOM 764 CD1 LEU A 47 -5.793 -1.455 -5.018 1.00 0.00 C ATOM 765 CD2 LEU A 47 -3.995 -3.205 -4.639 1.00 0.00 C ATOM 0 H LEU A 47 -4.290 -3.108 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.314 -0.498 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.377 -0.533 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.596 -1.969 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.854 -3.055 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.168 -2.057 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.624 -0.938 -4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.080 -0.723 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.406 -3.772 -5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.202 -2.550 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.588 -3.894 -3.899 1.00 0.00 H new ATOM 777 N LYS A 48 -7.385 -2.894 -1.929 1.00 0.00 N ATOM 778 CA LYS A 48 -8.780 -3.187 -2.211 1.00 0.00 C ATOM 779 C LYS A 48 -9.665 -2.467 -1.192 1.00 0.00 C ATOM 780 O LYS A 48 -10.855 -2.266 -1.430 1.00 0.00 O ATOM 781 CB LYS A 48 -9.009 -4.699 -2.265 1.00 0.00 C ATOM 782 CG LYS A 48 -10.374 -5.026 -2.874 1.00 0.00 C ATOM 783 CD LYS A 48 -11.141 -6.021 -2.001 1.00 0.00 C ATOM 784 CE LYS A 48 -12.637 -5.993 -2.321 1.00 0.00 C ATOM 785 NZ LYS A 48 -12.906 -6.677 -3.605 1.00 0.00 N ATOM 0 H LYS A 48 -6.800 -3.715 -1.771 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.057 -2.810 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.222 -5.169 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.946 -5.116 -1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.955 -4.111 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.240 -5.441 -3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.750 -7.026 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.986 -5.782 -0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.195 -6.478 -1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.985 -4.961 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.926 -6.649 -3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.389 -6.197 -4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.593 -7.667 -3.543 1.00 0.00 H new ATOM 799 N GLU A 49 -9.049 -2.097 -0.079 1.00 0.00 N ATOM 800 CA GLU A 49 -9.766 -1.403 0.977 1.00 0.00 C ATOM 801 C GLU A 49 -10.311 -0.069 0.461 1.00 0.00 C ATOM 802 O GLU A 49 -11.041 0.622 1.169 1.00 0.00 O ATOM 803 CB GLU A 49 -8.872 -1.193 2.201 1.00 0.00 C ATOM 804 CG GLU A 49 -7.959 0.020 2.011 1.00 0.00 C ATOM 805 CD GLU A 49 -8.454 1.213 2.832 1.00 0.00 C ATOM 806 OE1 GLU A 49 -9.387 1.888 2.346 1.00 0.00 O ATOM 807 OE2 GLU A 49 -7.889 1.422 3.927 1.00 0.00 O ATOM 0 H GLU A 49 -8.062 -2.265 0.114 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.608 -2.023 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.490 -1.052 3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.268 -2.084 2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.942 -0.235 2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.922 0.290 0.956 1.00 0.00 H new ATOM 885 N VAL A 54 -3.033 0.837 -5.448 1.00 0.00 N ATOM 886 CA VAL A 54 -1.913 -0.081 -5.563 1.00 0.00 C ATOM 887 C VAL A 54 -2.319 -1.265 -6.442 1.00 0.00 C ATOM 888 O VAL A 54 -3.392 -1.259 -7.043 1.00 0.00 O ATOM 889 CB VAL A 54 -1.437 -0.504 -4.172 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.055 -0.843 -4.182 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.747 0.577 -3.135 1.00 0.00 C ATOM 0 HA VAL A 54 -1.067 0.408 -6.046 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.983 -1.405 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.367 -1.140 -3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.237 -1.662 -4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.625 0.032 -4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.399 0.252 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.241 1.502 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.823 0.749 -3.099 1.00 0.00 H new ATOM 901 N ALA A 55 -1.438 -2.254 -6.491 1.00 0.00 N ATOM 902 CA ALA A 55 -1.691 -3.444 -7.286 1.00 0.00 C ATOM 903 C ALA A 55 -0.511 -4.407 -7.145 1.00 0.00 C ATOM 904 O ALA A 55 0.608 -3.985 -6.859 1.00 0.00 O ATOM 905 CB ALA A 55 -1.945 -3.041 -8.740 1.00 0.00 C ATOM 0 H ALA A 55 -0.548 -2.255 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.582 -3.961 -6.930 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.135 -3.933 -9.337 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.811 -2.381 -8.789 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.070 -2.522 -9.132 1.00 0.00 H new ATOM 911 N ARG A 56 -0.802 -5.683 -7.352 1.00 0.00 N ATOM 912 CA ARG A 56 0.221 -6.710 -7.252 1.00 0.00 C ATOM 913 C ARG A 56 1.545 -6.198 -7.824 1.00 0.00 C ATOM 914 O ARG A 56 2.600 -6.383 -7.219 1.00 0.00 O ATOM 915 CB ARG A 56 -0.195 -7.977 -8.001 1.00 0.00 C ATOM 916 CG ARG A 56 -0.833 -8.992 -7.051 1.00 0.00 C ATOM 917 CD ARG A 56 0.064 -10.218 -6.875 1.00 0.00 C ATOM 918 NE ARG A 56 -0.399 -11.314 -7.756 1.00 0.00 N ATOM 919 CZ ARG A 56 -1.555 -11.971 -7.593 1.00 0.00 C ATOM 920 NH1 ARG A 56 -2.373 -11.648 -6.582 1.00 0.00 N ATOM 921 NH2 ARG A 56 -1.894 -12.952 -8.441 1.00 0.00 N ATOM 0 H ARG A 56 -1.732 -6.029 -7.589 1.00 0.00 H new ATOM 0 HA ARG A 56 0.347 -6.951 -6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.900 -7.721 -8.792 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.676 -8.422 -8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.012 -8.526 -6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.803 -9.300 -7.441 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.096 -9.961 -7.112 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.048 -10.545 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 56 0.200 -11.586 -8.536 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.116 -10.902 -5.936 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.253 -12.148 -6.458 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.272 -13.198 -9.211 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.774 -13.452 -8.317 1.00 0.00 H new ATOM 935 N ARG A 57 1.446 -5.564 -8.983 1.00 0.00 N ATOM 936 CA ARG A 57 2.622 -5.024 -9.644 1.00 0.00 C ATOM 937 C ARG A 57 3.302 -3.985 -8.751 1.00 0.00 C ATOM 938 O ARG A 57 4.478 -4.123 -8.416 1.00 0.00 O ATOM 939 CB ARG A 57 2.254 -4.376 -10.980 1.00 0.00 C ATOM 940 CG ARG A 57 3.451 -4.367 -11.933 1.00 0.00 C ATOM 941 CD ARG A 57 3.619 -2.995 -12.589 1.00 0.00 C ATOM 942 NE ARG A 57 3.202 -3.059 -14.008 1.00 0.00 N ATOM 943 CZ ARG A 57 3.601 -2.191 -14.948 1.00 0.00 C ATOM 944 NH1 ARG A 57 4.430 -1.189 -14.626 1.00 0.00 N ATOM 945 NH2 ARG A 57 3.171 -2.326 -16.210 1.00 0.00 N ATOM 0 H ARG A 57 0.569 -5.412 -9.482 1.00 0.00 H new ATOM 0 HA ARG A 57 3.307 -5.851 -9.831 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.426 -4.919 -11.436 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.911 -3.355 -10.811 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.358 -4.626 -11.386 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.314 -5.127 -12.702 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.022 -2.253 -12.059 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.659 -2.675 -12.521 1.00 0.00 H new ATOM 0 HE ARG A 57 2.572 -3.811 -14.288 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.758 -1.087 -13.665 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.734 -0.528 -15.341 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.540 -3.089 -16.455 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.474 -1.666 -16.926 1.00 0.00 H new ATOM 959 N THR A 58 2.534 -2.968 -8.390 1.00 0.00 N ATOM 960 CA THR A 58 3.048 -1.906 -7.542 1.00 0.00 C ATOM 961 C THR A 58 3.508 -2.472 -6.197 1.00 0.00 C ATOM 962 O THR A 58 4.515 -2.031 -5.646 1.00 0.00 O ATOM 963 CB THR A 58 1.960 -0.837 -7.411 1.00 0.00 C ATOM 964 OG1 THR A 58 2.139 -0.017 -8.562 1.00 0.00 O ATOM 965 CG2 THR A 58 2.209 0.110 -6.235 1.00 0.00 C ATOM 0 H THR A 58 1.559 -2.857 -8.669 1.00 0.00 H new ATOM 0 HA THR A 58 3.930 -1.441 -7.982 1.00 0.00 H new ATOM 0 HB THR A 58 0.990 -1.319 -7.290 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.473 0.702 -8.558 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.409 0.849 -6.187 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.232 -0.461 -5.307 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.164 0.618 -6.373 1.00 0.00 H new ATOM 973 N VAL A 59 2.748 -3.442 -5.708 1.00 0.00 N ATOM 974 CA VAL A 59 3.066 -4.073 -4.439 1.00 0.00 C ATOM 975 C VAL A 59 4.394 -4.822 -4.565 1.00 0.00 C ATOM 976 O VAL A 59 5.209 -4.806 -3.644 1.00 0.00 O ATOM 977 CB VAL A 59 1.911 -4.975 -4.000 1.00 0.00 C ATOM 978 CG1 VAL A 59 2.059 -5.380 -2.532 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.561 -4.298 -4.248 1.00 0.00 C ATOM 0 H VAL A 59 1.913 -3.806 -6.168 1.00 0.00 H new ATOM 0 HA VAL A 59 3.189 -3.322 -3.659 1.00 0.00 H new ATOM 0 HB VAL A 59 1.947 -5.882 -4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.225 -6.021 -2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.996 -5.921 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.062 -4.487 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.243 -4.961 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.511 -3.367 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.452 -4.083 -5.311 1.00 0.00 H new ATOM 989 N ALA A 60 4.571 -5.460 -5.713 1.00 0.00 N ATOM 990 CA ALA A 60 5.786 -6.213 -5.971 1.00 0.00 C ATOM 991 C ALA A 60 6.981 -5.257 -5.982 1.00 0.00 C ATOM 992 O ALA A 60 8.032 -5.565 -5.422 1.00 0.00 O ATOM 993 CB ALA A 60 5.641 -6.981 -7.287 1.00 0.00 C ATOM 0 H ALA A 60 3.893 -5.471 -6.475 1.00 0.00 H new ATOM 0 HA ALA A 60 5.958 -6.946 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.553 -7.546 -7.481 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.797 -7.667 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.470 -6.278 -8.102 1.00 0.00 H new ATOM 999 N LYS A 61 6.779 -4.117 -6.625 1.00 0.00 N ATOM 1000 CA LYS A 61 7.827 -3.114 -6.716 1.00 0.00 C ATOM 1001 C LYS A 61 8.170 -2.611 -5.312 1.00 0.00 C ATOM 1002 O LYS A 61 9.343 -2.498 -4.959 1.00 0.00 O ATOM 1003 CB LYS A 61 7.421 -2.002 -7.685 1.00 0.00 C ATOM 1004 CG LYS A 61 8.650 -1.381 -8.354 1.00 0.00 C ATOM 1005 CD LYS A 61 8.439 -1.236 -9.862 1.00 0.00 C ATOM 1006 CE LYS A 61 8.629 0.215 -10.306 1.00 0.00 C ATOM 1007 NZ LYS A 61 7.327 0.919 -10.349 1.00 0.00 N ATOM 0 H LYS A 61 5.906 -3.865 -7.088 1.00 0.00 H new ATOM 0 HA LYS A 61 8.736 -3.550 -7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.753 -2.404 -8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.867 -1.232 -7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.852 -0.404 -7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.525 -2.003 -8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.141 -1.878 -10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.436 -1.572 -10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.303 0.726 -9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.096 0.242 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.474 1.903 -10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.695 0.440 -11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.896 0.909 -9.403 1.00 0.00 H new ATOM 1021 N TYR A 62 7.125 -2.324 -4.550 1.00 0.00 N ATOM 1022 CA TYR A 62 7.301 -1.836 -3.193 1.00 0.00 C ATOM 1023 C TYR A 62 7.874 -2.929 -2.287 1.00 0.00 C ATOM 1024 O TYR A 62 8.731 -2.658 -1.448 1.00 0.00 O ATOM 1025 CB TYR A 62 5.904 -1.460 -2.695 1.00 0.00 C ATOM 1026 CG TYR A 62 5.433 -0.077 -3.152 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.526 0.279 -4.481 1.00 0.00 C ATOM 1028 CD2 TYR A 62 4.914 0.813 -2.233 1.00 0.00 C ATOM 1029 CE1 TYR A 62 5.083 1.581 -4.910 1.00 0.00 C ATOM 1030 CE2 TYR A 62 4.471 2.114 -2.662 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.577 2.434 -3.980 1.00 0.00 C ATOM 1032 OH TYR A 62 4.159 3.662 -4.385 1.00 0.00 O ATOM 0 H TYR A 62 6.154 -2.420 -4.846 1.00 0.00 H new ATOM 0 HA TYR A 62 7.992 -0.994 -3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.192 -2.208 -3.042 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.896 -1.494 -1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.931 -0.418 -5.200 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.840 0.533 -1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.151 1.873 -5.948 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.064 2.820 -1.953 1.00 0.00 H new ATOM 0 HH TYR A 62 4.799 4.341 -4.085 1.00 0.00 H new ATOM 1042 N ARG A 63 7.377 -4.141 -2.489 1.00 0.00 N ATOM 1043 CA ARG A 63 7.829 -5.275 -1.702 1.00 0.00 C ATOM 1044 C ARG A 63 9.358 -5.341 -1.695 1.00 0.00 C ATOM 1045 O ARG A 63 9.967 -5.600 -0.658 1.00 0.00 O ATOM 1046 CB ARG A 63 7.271 -6.588 -2.256 1.00 0.00 C ATOM 1047 CG ARG A 63 7.976 -7.792 -1.628 1.00 0.00 C ATOM 1048 CD ARG A 63 6.967 -8.871 -1.230 1.00 0.00 C ATOM 1049 NE ARG A 63 7.657 -10.169 -1.057 1.00 0.00 N ATOM 1050 CZ ARG A 63 8.286 -10.542 0.065 1.00 0.00 C ATOM 1051 NH1 ARG A 63 8.317 -9.718 1.121 1.00 0.00 N ATOM 1052 NH2 ARG A 63 8.885 -11.739 0.132 1.00 0.00 N ATOM 0 H ARG A 63 6.666 -4.362 -3.186 1.00 0.00 H new ATOM 0 HA ARG A 63 7.463 -5.139 -0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.201 -6.645 -2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.396 -6.613 -3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.696 -8.205 -2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.537 -7.472 -0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.467 -8.589 -0.303 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.195 -8.959 -1.995 1.00 0.00 H new ATOM 0 HE ARG A 63 7.653 -10.820 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.862 -8.807 1.070 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.796 -10.002 1.976 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.862 -12.366 -0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.364 -12.022 0.987 1.00 0.00 H new ATOM 1066 N GLU A 64 9.934 -5.103 -2.864 1.00 0.00 N ATOM 1067 CA GLU A 64 11.380 -5.133 -3.006 1.00 0.00 C ATOM 1068 C GLU A 64 12.008 -3.938 -2.285 1.00 0.00 C ATOM 1069 O GLU A 64 13.057 -4.069 -1.657 1.00 0.00 O ATOM 1070 CB GLU A 64 11.786 -5.159 -4.481 1.00 0.00 C ATOM 1071 CG GLU A 64 12.934 -6.142 -4.715 1.00 0.00 C ATOM 1072 CD GLU A 64 12.727 -6.927 -6.012 1.00 0.00 C ATOM 1073 OE1 GLU A 64 11.630 -7.509 -6.155 1.00 0.00 O ATOM 1074 OE2 GLU A 64 13.671 -6.928 -6.832 1.00 0.00 O ATOM 0 H GLU A 64 9.426 -4.888 -3.722 1.00 0.00 H new ATOM 0 HA GLU A 64 11.752 -6.048 -2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.929 -5.442 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.087 -4.160 -4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.878 -5.600 -4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.003 -6.833 -3.875 1.00 0.00 H new ATOM 1081 N MET A 65 11.340 -2.800 -2.402 1.00 0.00 N ATOM 1082 CA MET A 65 11.820 -1.582 -1.769 1.00 0.00 C ATOM 1083 C MET A 65 11.725 -1.682 -0.245 1.00 0.00 C ATOM 1084 O MET A 65 12.429 -0.973 0.472 1.00 0.00 O ATOM 1085 CB MET A 65 10.990 -0.393 -2.256 1.00 0.00 C ATOM 1086 CG MET A 65 11.685 0.323 -3.416 1.00 0.00 C ATOM 1087 SD MET A 65 11.079 -0.306 -4.973 1.00 0.00 S ATOM 1088 CE MET A 65 9.531 0.576 -5.081 1.00 0.00 C ATOM 0 H MET A 65 10.471 -2.695 -2.925 1.00 0.00 H new ATOM 0 HA MET A 65 12.866 -1.441 -2.040 1.00 0.00 H new ATOM 0 HB2 MET A 65 10.006 -0.738 -2.574 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.833 0.306 -1.435 1.00 0.00 H new ATOM 0 HG2 MET A 65 11.504 1.396 -3.353 1.00 0.00 H new ATOM 0 HG3 MET A 65 12.763 0.177 -3.350 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.350 0.868 -6.115 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.721 -0.068 -4.739 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.575 1.467 -4.455 1.00 0.00 H new ATOM 1098 N LEU A 66 10.848 -2.567 0.204 1.00 0.00 N ATOM 1099 CA LEU A 66 10.651 -2.769 1.630 1.00 0.00 C ATOM 1100 C LEU A 66 10.187 -4.205 1.878 1.00 0.00 C ATOM 1101 O LEU A 66 9.066 -4.430 2.331 1.00 0.00 O ATOM 1102 CB LEU A 66 9.703 -1.710 2.195 1.00 0.00 C ATOM 1103 CG LEU A 66 8.378 -1.531 1.451 1.00 0.00 C ATOM 1104 CD1 LEU A 66 7.246 -1.186 2.421 1.00 0.00 C ATOM 1105 CD2 LEU A 66 8.512 -0.493 0.334 1.00 0.00 C ATOM 0 H LEU A 66 10.265 -3.153 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 66 11.591 -2.641 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.483 -1.964 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.224 -0.753 2.205 1.00 0.00 H new ATOM 0 HG LEU A 66 8.120 -2.480 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.316 -1.064 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.132 -1.990 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.483 -0.258 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.556 -0.385 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.805 0.466 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.271 -0.820 -0.377 1.00 0.00 H new