USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=8 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 -130:sc= -7.17! (180deg=-11.9!) USER MOD Set 1.2: A 65 MET CE :methyl 155:sc= -0.895 (180deg=-0.0315) USER MOD Set 2.1: A 41 GLN : amide:sc= -6.55! C(o=-23!,f=-21!) USER MOD Set 2.2: A 45 ASN : amide:sc= -16.1! C(o=-23!,f=-21!) USER MOD Single : A 17 THR OG1 : rot -47:sc= -0.769! USER MOD Single : A 18 GLN : amide:sc= -0.0249 K(o=-0.025,f=-1.3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= -0.134 (180deg=-0.134) USER MOD Single : A 31 ASN : amide:sc= -1.89 X(o=-1.9,f=-1.6) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0949) 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 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 -126:sc= 0.369 USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 0.954 10.847 -1.606 1.00 0.00 N ATOM 262 CA THR A 17 1.825 10.815 -2.769 1.00 0.00 C ATOM 263 C THR A 17 2.256 9.379 -3.072 1.00 0.00 C ATOM 264 O THR A 17 2.253 8.526 -2.186 1.00 0.00 O ATOM 265 CB THR A 17 2.999 11.760 -2.507 1.00 0.00 C ATOM 266 OG1 THR A 17 3.307 11.557 -1.131 1.00 0.00 O ATOM 267 CG2 THR A 17 2.594 13.233 -2.585 1.00 0.00 C ATOM 0 HA THR A 17 1.305 11.160 -3.663 1.00 0.00 H new ATOM 0 HB THR A 17 3.791 11.563 -3.229 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.481 11.575 -0.605 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.464 13.860 -2.391 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.204 13.451 -3.579 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.825 13.439 -1.840 1.00 0.00 H new ATOM 275 N GLN A 18 2.617 9.156 -4.328 1.00 0.00 N ATOM 276 CA GLN A 18 3.050 7.838 -4.759 1.00 0.00 C ATOM 277 C GLN A 18 4.305 7.414 -3.993 1.00 0.00 C ATOM 278 O GLN A 18 4.488 6.234 -3.697 1.00 0.00 O ATOM 279 CB GLN A 18 3.293 7.807 -6.269 1.00 0.00 C ATOM 280 CG GLN A 18 4.459 8.720 -6.655 1.00 0.00 C ATOM 281 CD GLN A 18 4.895 8.471 -8.100 1.00 0.00 C ATOM 282 OE1 GLN A 18 4.656 7.422 -8.676 1.00 0.00 O ATOM 283 NE2 GLN A 18 5.546 9.491 -8.652 1.00 0.00 N ATOM 0 H GLN A 18 2.618 9.866 -5.060 1.00 0.00 H new ATOM 0 HA GLN A 18 2.255 7.126 -4.537 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.505 6.786 -6.586 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.391 8.122 -6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.164 9.763 -6.535 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.299 8.547 -5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.713 10.341 -8.113 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.879 9.423 -9.614 1.00 0.00 H new ATOM 292 N GLY A 19 5.138 8.401 -3.693 1.00 0.00 N ATOM 293 CA GLY A 19 6.370 8.145 -2.967 1.00 0.00 C ATOM 294 C GLY A 19 6.084 7.814 -1.501 1.00 0.00 C ATOM 295 O GLY A 19 6.733 6.945 -0.919 1.00 0.00 O ATOM 0 H GLY A 19 4.983 9.379 -3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.905 7.318 -3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.019 9.018 -3.026 1.00 0.00 H new ATOM 299 N GLU A 20 5.113 8.523 -0.946 1.00 0.00 N ATOM 300 CA GLU A 20 4.733 8.316 0.441 1.00 0.00 C ATOM 301 C GLU A 20 4.091 6.938 0.615 1.00 0.00 C ATOM 302 O GLU A 20 4.168 6.344 1.690 1.00 0.00 O ATOM 303 CB GLU A 20 3.794 9.423 0.924 1.00 0.00 C ATOM 304 CG GLU A 20 4.584 10.589 1.523 1.00 0.00 C ATOM 305 CD GLU A 20 4.640 10.488 3.048 1.00 0.00 C ATOM 306 OE1 GLU A 20 3.651 10.916 3.682 1.00 0.00 O ATOM 307 OE2 GLU A 20 5.670 9.985 3.546 1.00 0.00 O ATOM 0 H GLU A 20 4.577 9.242 -1.432 1.00 0.00 H new ATOM 0 HA GLU A 20 5.634 8.356 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.188 9.779 0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.107 9.023 1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.596 10.593 1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.121 11.533 1.234 1.00 0.00 H new ATOM 314 N LEU A 21 3.472 6.469 -0.459 1.00 0.00 N ATOM 315 CA LEU A 21 2.817 5.172 -0.438 1.00 0.00 C ATOM 316 C LEU A 21 3.821 4.105 0.004 1.00 0.00 C ATOM 317 O LEU A 21 3.477 3.199 0.760 1.00 0.00 O ATOM 318 CB LEU A 21 2.165 4.879 -1.791 1.00 0.00 C ATOM 319 CG LEU A 21 0.894 4.028 -1.753 1.00 0.00 C ATOM 320 CD1 LEU A 21 0.983 2.959 -0.663 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.349 4.906 -1.596 1.00 0.00 C ATOM 0 H LEU A 21 3.410 6.964 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 21 2.005 5.167 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.928 5.829 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.897 4.376 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 21 0.802 3.508 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.067 2.368 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.834 2.307 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.111 3.439 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.238 4.276 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.280 5.472 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.416 5.596 -2.437 1.00 0.00 H new ATOM 333 N MET A 22 5.044 4.249 -0.488 1.00 0.00 N ATOM 334 CA MET A 22 6.100 3.309 -0.153 1.00 0.00 C ATOM 335 C MET A 22 6.231 3.148 1.363 1.00 0.00 C ATOM 336 O MET A 22 6.021 2.060 1.896 1.00 0.00 O ATOM 337 CB MET A 22 7.427 3.805 -0.730 1.00 0.00 C ATOM 338 CG MET A 22 7.414 3.751 -2.259 1.00 0.00 C ATOM 339 SD MET A 22 9.014 3.244 -2.866 1.00 0.00 S ATOM 340 CE MET A 22 9.095 1.594 -2.189 1.00 0.00 C ATOM 0 H MET A 22 5.326 5.002 -1.115 1.00 0.00 H new ATOM 0 HA MET A 22 5.847 2.339 -0.582 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.612 4.827 -0.400 1.00 0.00 H new ATOM 0 HB3 MET A 22 8.245 3.194 -0.348 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.649 3.053 -2.600 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.156 4.730 -2.663 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.045 1.459 -1.671 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.275 1.448 -1.486 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.015 0.865 -2.996 1.00 0.00 H new ATOM 350 N LYS A 23 6.577 4.249 2.015 1.00 0.00 N ATOM 351 CA LYS A 23 6.738 4.244 3.459 1.00 0.00 C ATOM 352 C LYS A 23 5.405 3.880 4.116 1.00 0.00 C ATOM 353 O LYS A 23 5.380 3.338 5.219 1.00 0.00 O ATOM 354 CB LYS A 23 7.315 5.578 3.938 1.00 0.00 C ATOM 355 CG LYS A 23 8.845 5.555 3.907 1.00 0.00 C ATOM 356 CD LYS A 23 9.412 5.010 5.219 1.00 0.00 C ATOM 357 CE LYS A 23 10.941 4.956 5.175 1.00 0.00 C ATOM 358 NZ LYS A 23 11.513 6.299 5.418 1.00 0.00 N ATOM 0 H LYS A 23 6.750 5.150 1.570 1.00 0.00 H new ATOM 0 HA LYS A 23 7.460 3.484 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.947 6.386 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.971 5.784 4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.186 4.938 3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.224 6.562 3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.090 5.640 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.014 4.012 5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.308 4.256 5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.270 4.584 4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.551 6.245 5.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.177 6.957 4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.214 6.640 6.354 1.00 0.00 H new ATOM 372 N LEU A 24 4.329 4.193 3.409 1.00 0.00 N ATOM 373 CA LEU A 24 2.995 3.906 3.909 1.00 0.00 C ATOM 374 C LEU A 24 2.792 2.390 3.965 1.00 0.00 C ATOM 375 O LEU A 24 2.245 1.869 4.936 1.00 0.00 O ATOM 376 CB LEU A 24 1.941 4.638 3.077 1.00 0.00 C ATOM 377 CG LEU A 24 0.544 4.731 3.694 1.00 0.00 C ATOM 378 CD1 LEU A 24 -0.491 5.150 2.648 1.00 0.00 C ATOM 379 CD2 LEU A 24 0.162 3.420 4.385 1.00 0.00 C ATOM 0 H LEU A 24 4.354 4.643 2.494 1.00 0.00 H new ATOM 0 HA LEU A 24 2.880 4.281 4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.299 5.649 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.858 4.138 2.112 1.00 0.00 H new ATOM 0 HG LEU A 24 0.560 5.507 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.475 5.208 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.223 6.125 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.513 4.415 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.835 3.513 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.169 2.609 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.880 3.203 5.176 1.00 0.00 H new ATOM 391 N ILE A 25 3.242 1.726 2.910 1.00 0.00 N ATOM 392 CA ILE A 25 3.116 0.281 2.827 1.00 0.00 C ATOM 393 C ILE A 25 3.887 -0.362 3.981 1.00 0.00 C ATOM 394 O ILE A 25 3.392 -1.284 4.626 1.00 0.00 O ATOM 395 CB ILE A 25 3.549 -0.216 1.446 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.338 -0.434 0.537 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.413 -1.473 1.561 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.771 -0.619 -0.919 1.00 0.00 C ATOM 0 H ILE A 25 3.694 2.162 2.106 1.00 0.00 H new ATOM 0 HA ILE A 25 2.073 -0.017 2.935 1.00 0.00 H new ATOM 0 HB ILE A 25 4.164 0.556 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.783 -1.311 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.663 0.418 0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.707 -1.805 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.305 -1.249 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.844 -2.262 2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.891 -0.772 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.305 0.270 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.426 -1.487 -0.996 1.00 0.00 H new ATOM 410 N LYS A 26 5.088 0.151 4.206 1.00 0.00 N ATOM 411 CA LYS A 26 5.933 -0.361 5.272 1.00 0.00 C ATOM 412 C LYS A 26 5.254 -0.112 6.620 1.00 0.00 C ATOM 413 O LYS A 26 5.388 -0.913 7.544 1.00 0.00 O ATOM 414 CB LYS A 26 7.339 0.233 5.173 1.00 0.00 C ATOM 415 CG LYS A 26 8.286 -0.428 6.177 1.00 0.00 C ATOM 416 CD LYS A 26 9.746 -0.224 5.770 1.00 0.00 C ATOM 417 CE LYS A 26 10.555 0.385 6.918 1.00 0.00 C ATOM 418 NZ LYS A 26 10.769 1.832 6.691 1.00 0.00 N ATOM 0 H LYS A 26 5.496 0.916 3.668 1.00 0.00 H new ATOM 0 HA LYS A 26 6.060 -1.439 5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.724 0.099 4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.298 1.306 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.120 -0.009 7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.068 -1.494 6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.183 -1.179 5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.797 0.429 4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.030 0.233 7.861 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.516 -0.122 7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.319 2.229 7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.289 1.971 5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.849 2.314 6.633 1.00 0.00 H new ATOM 432 N GLU A 27 4.539 1.002 6.689 1.00 0.00 N ATOM 433 CA GLU A 27 3.839 1.366 7.909 1.00 0.00 C ATOM 434 C GLU A 27 2.863 0.259 8.312 1.00 0.00 C ATOM 435 O GLU A 27 2.705 -0.034 9.496 1.00 0.00 O ATOM 436 CB GLU A 27 3.114 2.704 7.746 1.00 0.00 C ATOM 437 CG GLU A 27 3.716 3.769 8.664 1.00 0.00 C ATOM 438 CD GLU A 27 5.120 4.162 8.202 1.00 0.00 C ATOM 439 OE1 GLU A 27 6.069 3.453 8.602 1.00 0.00 O ATOM 440 OE2 GLU A 27 5.214 5.162 7.458 1.00 0.00 O ATOM 0 H GLU A 27 4.430 1.664 5.920 1.00 0.00 H new ATOM 0 HA GLU A 27 4.574 1.483 8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.180 3.033 6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.056 2.578 7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.073 4.649 8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.758 3.392 9.686 1.00 0.00 H new ATOM 447 N ILE A 28 2.232 -0.326 7.304 1.00 0.00 N ATOM 448 CA ILE A 28 1.276 -1.394 7.538 1.00 0.00 C ATOM 449 C ILE A 28 2.014 -2.626 8.066 1.00 0.00 C ATOM 450 O ILE A 28 1.513 -3.325 8.946 1.00 0.00 O ATOM 451 CB ILE A 28 0.453 -1.663 6.276 1.00 0.00 C ATOM 452 CG1 ILE A 28 -0.742 -0.713 6.189 1.00 0.00 C ATOM 453 CG2 ILE A 28 0.026 -3.130 6.203 1.00 0.00 C ATOM 454 CD1 ILE A 28 -0.416 0.500 5.314 1.00 0.00 C ATOM 0 H ILE A 28 2.365 -0.080 6.323 1.00 0.00 H new ATOM 0 HA ILE A 28 0.557 -1.101 8.303 1.00 0.00 H new ATOM 0 HB ILE A 28 1.083 -1.468 5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.602 -1.242 5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.020 -0.380 7.189 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.557 -3.294 5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.911 -3.766 6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.580 -3.376 7.075 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.283 1.160 5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.429 1.040 5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.162 0.165 4.308 1.00 0.00 H new ATOM 466 N VAL A 29 3.192 -2.856 7.505 1.00 0.00 N ATOM 467 CA VAL A 29 4.004 -3.992 7.908 1.00 0.00 C ATOM 468 C VAL A 29 4.749 -3.648 9.200 1.00 0.00 C ATOM 469 O VAL A 29 5.549 -4.444 9.689 1.00 0.00 O ATOM 470 CB VAL A 29 4.940 -4.397 6.768 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.227 -5.899 6.802 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.366 -3.979 5.413 1.00 0.00 C ATOM 0 H VAL A 29 3.604 -2.275 6.775 1.00 0.00 H new ATOM 0 HA VAL A 29 3.374 -4.857 8.116 1.00 0.00 H new ATOM 0 HB VAL A 29 5.885 -3.872 6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.895 -6.161 5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.699 -6.158 7.750 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.292 -6.450 6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.051 -4.279 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.401 -4.463 5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.236 -2.897 5.391 1.00 0.00 H new ATOM 482 N GLU A 30 4.459 -2.463 9.715 1.00 0.00 N ATOM 483 CA GLU A 30 5.091 -2.004 10.940 1.00 0.00 C ATOM 484 C GLU A 30 4.754 -2.948 12.097 1.00 0.00 C ATOM 485 O GLU A 30 5.533 -3.083 13.039 1.00 0.00 O ATOM 486 CB GLU A 30 4.677 -0.568 11.267 1.00 0.00 C ATOM 487 CG GLU A 30 5.606 0.045 12.316 1.00 0.00 C ATOM 488 CD GLU A 30 4.805 0.669 13.461 1.00 0.00 C ATOM 489 OE1 GLU A 30 4.352 -0.110 14.326 1.00 0.00 O ATOM 490 OE2 GLU A 30 4.664 1.911 13.444 1.00 0.00 O ATOM 0 H GLU A 30 3.794 -1.806 9.306 1.00 0.00 H new ATOM 0 HA GLU A 30 6.171 -2.011 10.793 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.698 0.036 10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.651 -0.556 11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.272 -0.723 12.710 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.234 0.805 11.851 1.00 0.00 H new ATOM 497 N ASN A 31 3.594 -3.577 11.986 1.00 0.00 N ATOM 498 CA ASN A 31 3.144 -4.505 13.011 1.00 0.00 C ATOM 499 C ASN A 31 2.233 -5.557 12.376 1.00 0.00 C ATOM 500 O ASN A 31 1.098 -5.744 12.811 1.00 0.00 O ATOM 501 CB ASN A 31 2.346 -3.781 14.097 1.00 0.00 C ATOM 502 CG ASN A 31 1.048 -3.202 13.529 1.00 0.00 C ATOM 503 OD1 ASN A 31 -0.046 -3.653 13.828 1.00 0.00 O ATOM 504 ND2 ASN A 31 1.230 -2.182 12.696 1.00 0.00 N ATOM 0 H ASN A 31 2.951 -3.463 11.202 1.00 0.00 H new ATOM 0 HA ASN A 31 4.024 -4.967 13.458 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.116 -4.473 14.907 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.950 -2.980 14.524 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.426 -1.727 12.264 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.174 -1.855 12.489 1.00 0.00 H new ATOM 511 N GLU A 32 2.765 -6.217 11.358 1.00 0.00 N ATOM 512 CA GLU A 32 2.014 -7.246 10.659 1.00 0.00 C ATOM 513 C GLU A 32 1.669 -8.392 11.613 1.00 0.00 C ATOM 514 O GLU A 32 2.137 -8.420 12.750 1.00 0.00 O ATOM 515 CB GLU A 32 2.788 -7.760 9.443 1.00 0.00 C ATOM 516 CG GLU A 32 4.258 -8.005 9.792 1.00 0.00 C ATOM 517 CD GLU A 32 4.741 -9.340 9.222 1.00 0.00 C ATOM 518 OE1 GLU A 32 5.115 -9.345 8.029 1.00 0.00 O ATOM 519 OE2 GLU A 32 4.727 -10.325 9.991 1.00 0.00 O ATOM 0 H GLU A 32 3.707 -6.059 11.000 1.00 0.00 H new ATOM 0 HA GLU A 32 1.084 -6.807 10.298 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.337 -8.685 9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.719 -7.036 8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.870 -7.194 9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.384 -8.001 10.875 1.00 0.00 H new ATOM 526 N ASP A 33 0.853 -9.309 11.115 1.00 0.00 N ATOM 527 CA ASP A 33 0.439 -10.453 11.908 1.00 0.00 C ATOM 528 C ASP A 33 1.501 -11.550 11.805 1.00 0.00 C ATOM 529 O ASP A 33 2.367 -11.501 10.933 1.00 0.00 O ATOM 530 CB ASP A 33 -0.885 -11.027 11.399 1.00 0.00 C ATOM 531 CG ASP A 33 -1.896 -11.384 12.490 1.00 0.00 C ATOM 532 OD1 ASP A 33 -1.502 -11.318 13.674 1.00 0.00 O ATOM 533 OD2 ASP A 33 -3.042 -11.715 12.115 1.00 0.00 O ATOM 0 H ASP A 33 0.467 -9.283 10.171 1.00 0.00 H new ATOM 0 HA ASP A 33 0.315 -10.121 12.939 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.342 -10.303 10.724 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.675 -11.921 10.813 1.00 0.00 H new ATOM 538 N LYS A 34 1.399 -12.515 12.708 1.00 0.00 N ATOM 539 CA LYS A 34 2.340 -13.622 12.729 1.00 0.00 C ATOM 540 C LYS A 34 1.982 -14.611 11.618 1.00 0.00 C ATOM 541 O LYS A 34 2.749 -14.793 10.673 1.00 0.00 O ATOM 542 CB LYS A 34 2.392 -14.254 14.121 1.00 0.00 C ATOM 543 CG LYS A 34 3.514 -13.640 14.961 1.00 0.00 C ATOM 544 CD LYS A 34 4.627 -14.658 15.218 1.00 0.00 C ATOM 545 CE LYS A 34 5.492 -14.850 13.971 1.00 0.00 C ATOM 546 NZ LYS A 34 5.159 -16.127 13.300 1.00 0.00 N ATOM 0 H LYS A 34 0.679 -12.553 13.430 1.00 0.00 H new ATOM 0 HA LYS A 34 3.351 -13.267 12.527 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.436 -14.111 14.625 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.547 -15.329 14.031 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.923 -12.770 14.447 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.111 -13.289 15.911 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.248 -14.321 16.048 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.191 -15.612 15.513 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.337 -14.019 13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.546 -14.842 14.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.872 -16.333 12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.149 -16.895 14.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.222 -16.052 12.856 1.00 0.00 H new ATOM 560 N ARG A 35 0.817 -15.224 11.767 1.00 0.00 N ATOM 561 CA ARG A 35 0.349 -16.190 10.788 1.00 0.00 C ATOM 562 C ARG A 35 -0.381 -15.478 9.647 1.00 0.00 C ATOM 563 O ARG A 35 -1.129 -16.104 8.898 1.00 0.00 O ATOM 564 CB ARG A 35 -0.594 -17.211 11.429 1.00 0.00 C ATOM 565 CG ARG A 35 -0.263 -18.630 10.964 1.00 0.00 C ATOM 566 CD ARG A 35 -1.250 -19.643 11.548 1.00 0.00 C ATOM 567 NE ARG A 35 -2.624 -19.331 11.094 1.00 0.00 N ATOM 568 CZ ARG A 35 -3.447 -18.479 11.720 1.00 0.00 C ATOM 569 NH1 ARG A 35 -3.040 -17.849 12.831 1.00 0.00 N ATOM 570 NH2 ARG A 35 -4.676 -18.257 11.236 1.00 0.00 N ATOM 0 H ARG A 35 0.183 -15.070 12.551 1.00 0.00 H new ATOM 0 HA ARG A 35 1.221 -16.714 10.396 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.515 -17.153 12.515 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.625 -16.971 11.171 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.291 -18.676 9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.751 -18.889 11.268 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.976 -20.651 11.237 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.204 -19.622 12.637 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.966 -19.794 10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.104 -18.018 13.199 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.666 -17.200 13.308 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.986 -18.737 10.391 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.302 -17.608 11.713 1.00 0.00 H new ATOM 584 N LYS A 36 -0.137 -14.180 9.551 1.00 0.00 N ATOM 585 CA LYS A 36 -0.761 -13.376 8.514 1.00 0.00 C ATOM 586 C LYS A 36 -0.014 -12.047 8.385 1.00 0.00 C ATOM 587 O LYS A 36 -0.499 -11.011 8.838 1.00 0.00 O ATOM 588 CB LYS A 36 -2.258 -13.215 8.789 1.00 0.00 C ATOM 589 CG LYS A 36 -3.091 -13.810 7.651 1.00 0.00 C ATOM 590 CD LYS A 36 -4.562 -13.927 8.053 1.00 0.00 C ATOM 591 CE LYS A 36 -5.404 -14.477 6.899 1.00 0.00 C ATOM 592 NZ LYS A 36 -6.846 -14.374 7.214 1.00 0.00 N ATOM 0 H LYS A 36 0.484 -13.665 10.174 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.689 -13.878 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.514 -13.707 9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.498 -12.158 8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.001 -13.183 6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.703 -14.794 7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.655 -14.581 8.920 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.940 -12.949 8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.185 -13.924 5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.140 -15.518 6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.402 -14.751 6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.053 -14.921 8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.097 -13.377 7.369 1.00 0.00 H new ATOM 606 N PRO A 37 1.186 -12.122 7.749 1.00 0.00 N ATOM 607 CA PRO A 37 2.005 -10.937 7.555 1.00 0.00 C ATOM 608 C PRO A 37 1.434 -10.051 6.447 1.00 0.00 C ATOM 609 O PRO A 37 0.670 -10.519 5.604 1.00 0.00 O ATOM 610 CB PRO A 37 3.393 -11.468 7.235 1.00 0.00 C ATOM 611 CG PRO A 37 3.199 -12.912 6.805 1.00 0.00 C ATOM 612 CD PRO A 37 1.792 -13.331 7.200 1.00 0.00 C ATOM 0 HA PRO A 37 2.031 -10.294 8.435 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.861 -10.884 6.442 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.046 -11.404 8.106 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.339 -13.012 5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.937 -13.555 7.284 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.232 -13.699 6.340 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.810 -14.134 7.936 1.00 0.00 H new ATOM 620 N TYR A 38 1.826 -8.786 6.484 1.00 0.00 N ATOM 621 CA TYR A 38 1.362 -7.829 5.493 1.00 0.00 C ATOM 622 C TYR A 38 2.246 -7.862 4.244 1.00 0.00 C ATOM 623 O TYR A 38 2.882 -6.866 3.904 1.00 0.00 O ATOM 624 CB TYR A 38 1.478 -6.452 6.150 1.00 0.00 C ATOM 625 CG TYR A 38 0.344 -6.130 7.124 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.967 -6.345 6.753 1.00 0.00 C ATOM 627 CD2 TYR A 38 0.633 -5.624 8.376 1.00 0.00 C ATOM 628 CE1 TYR A 38 -2.035 -6.042 7.670 1.00 0.00 C ATOM 629 CE2 TYR A 38 -0.435 -5.321 9.293 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.716 -5.545 8.895 1.00 0.00 C ATOM 631 OH TYR A 38 -2.724 -5.258 9.762 1.00 0.00 O ATOM 0 H TYR A 38 2.460 -8.401 7.185 1.00 0.00 H new ATOM 0 HA TYR A 38 0.343 -8.060 5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.428 -6.393 6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.501 -5.690 5.371 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.193 -6.741 5.774 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.659 -5.456 8.667 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.066 -6.206 7.391 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.223 -4.925 10.275 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.348 -4.912 10.598 1.00 0.00 H new ATOM 641 N SER A 39 2.256 -9.017 3.596 1.00 0.00 N ATOM 642 CA SER A 39 3.051 -9.193 2.392 1.00 0.00 C ATOM 643 C SER A 39 2.378 -8.486 1.213 1.00 0.00 C ATOM 644 O SER A 39 1.236 -8.041 1.321 1.00 0.00 O ATOM 645 CB SER A 39 3.252 -10.676 2.076 1.00 0.00 C ATOM 646 OG SER A 39 3.426 -11.454 3.257 1.00 0.00 O ATOM 0 H SER A 39 1.726 -9.841 3.882 1.00 0.00 H new ATOM 0 HA SER A 39 4.032 -8.750 2.562 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.391 -11.048 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.123 -10.795 1.432 1.00 0.00 H new ATOM 0 HG SER A 39 3.550 -12.395 3.013 1.00 0.00 H new ATOM 652 N ASP A 40 3.115 -8.404 0.115 1.00 0.00 N ATOM 653 CA ASP A 40 2.604 -7.758 -1.082 1.00 0.00 C ATOM 654 C ASP A 40 1.120 -8.094 -1.244 1.00 0.00 C ATOM 655 O ASP A 40 0.342 -7.269 -1.720 1.00 0.00 O ATOM 656 CB ASP A 40 3.339 -8.252 -2.330 1.00 0.00 C ATOM 657 CG ASP A 40 3.513 -9.769 -2.420 1.00 0.00 C ATOM 658 OD1 ASP A 40 4.164 -10.321 -1.507 1.00 0.00 O ATOM 659 OD2 ASP A 40 2.991 -10.343 -3.401 1.00 0.00 O ATOM 0 H ASP A 40 4.062 -8.774 0.029 1.00 0.00 H new ATOM 0 HA ASP A 40 2.754 -6.684 -0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.796 -7.911 -3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.324 -7.786 -2.362 1.00 0.00 H new ATOM 664 N GLN A 41 0.773 -9.306 -0.838 1.00 0.00 N ATOM 665 CA GLN A 41 -0.604 -9.761 -0.932 1.00 0.00 C ATOM 666 C GLN A 41 -1.502 -8.927 -0.016 1.00 0.00 C ATOM 667 O GLN A 41 -2.345 -8.168 -0.492 1.00 0.00 O ATOM 668 CB GLN A 41 -0.713 -11.250 -0.598 1.00 0.00 C ATOM 669 CG GLN A 41 -2.115 -11.598 -0.092 1.00 0.00 C ATOM 670 CD GLN A 41 -3.109 -11.688 -1.251 1.00 0.00 C ATOM 671 OE1 GLN A 41 -2.747 -11.879 -2.401 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.380 -11.541 -0.887 1.00 0.00 N ATOM 0 H GLN A 41 1.421 -9.987 -0.443 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.941 -9.627 -1.960 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.485 -11.843 -1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.026 -11.511 0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.087 -12.547 0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.447 -10.841 0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.615 -11.384 0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.120 -11.586 -1.588 1.00 0.00 H new ATOM 681 N GLU A 42 -1.291 -9.096 1.281 1.00 0.00 N ATOM 682 CA GLU A 42 -2.071 -8.368 2.267 1.00 0.00 C ATOM 683 C GLU A 42 -2.215 -6.902 1.853 1.00 0.00 C ATOM 684 O GLU A 42 -3.305 -6.459 1.494 1.00 0.00 O ATOM 685 CB GLU A 42 -1.444 -8.485 3.658 1.00 0.00 C ATOM 686 CG GLU A 42 -2.521 -8.639 4.734 1.00 0.00 C ATOM 687 CD GLU A 42 -3.460 -9.802 4.406 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.985 -10.955 4.487 1.00 0.00 O ATOM 689 OE2 GLU A 42 -4.632 -9.511 4.083 1.00 0.00 O ATOM 0 H GLU A 42 -0.591 -9.727 1.672 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.065 -8.812 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.771 -9.342 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.842 -7.600 3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.051 -8.808 5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.094 -7.715 4.815 1.00 0.00 H new ATOM 696 N ILE A 43 -1.100 -6.190 1.917 1.00 0.00 N ATOM 697 CA ILE A 43 -1.089 -4.783 1.553 1.00 0.00 C ATOM 698 C ILE A 43 -1.910 -4.584 0.278 1.00 0.00 C ATOM 699 O ILE A 43 -2.758 -3.695 0.213 1.00 0.00 O ATOM 700 CB ILE A 43 0.348 -4.269 1.445 1.00 0.00 C ATOM 701 CG1 ILE A 43 0.752 -3.502 2.705 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.537 -3.431 0.178 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.159 -3.895 3.159 1.00 0.00 C ATOM 0 H ILE A 43 -0.198 -6.561 2.215 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.560 -4.184 2.333 1.00 0.00 H new ATOM 0 HB ILE A 43 1.013 -5.129 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.715 -2.430 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.038 -3.706 3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.567 -3.078 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.318 -4.041 -0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.139 -2.576 0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.421 -3.335 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.186 -4.963 3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.873 -3.668 2.368 1.00 0.00 H new ATOM 715 N ALA A 44 -1.631 -5.427 -0.706 1.00 0.00 N ATOM 716 CA ALA A 44 -2.334 -5.355 -1.976 1.00 0.00 C ATOM 717 C ALA A 44 -3.835 -5.519 -1.733 1.00 0.00 C ATOM 718 O ALA A 44 -4.648 -4.852 -2.371 1.00 0.00 O ATOM 719 CB ALA A 44 -1.777 -6.415 -2.928 1.00 0.00 C ATOM 0 H ALA A 44 -0.928 -6.163 -0.649 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.181 -4.383 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.304 -6.361 -3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.714 -6.236 -3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.915 -7.404 -2.492 1.00 0.00 H new ATOM 725 N ASN A 45 -4.158 -6.412 -0.809 1.00 0.00 N ATOM 726 CA ASN A 45 -5.548 -6.673 -0.474 1.00 0.00 C ATOM 727 C ASN A 45 -6.143 -5.441 0.211 1.00 0.00 C ATOM 728 O ASN A 45 -7.352 -5.223 0.163 1.00 0.00 O ATOM 729 CB ASN A 45 -5.669 -7.855 0.491 1.00 0.00 C ATOM 730 CG ASN A 45 -4.747 -9.001 0.072 1.00 0.00 C ATOM 731 OD1 ASN A 45 -4.322 -9.816 0.875 1.00 0.00 O ATOM 732 ND2 ASN A 45 -4.461 -9.019 -1.227 1.00 0.00 N ATOM 0 H ASN A 45 -3.481 -6.964 -0.282 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.080 -6.904 -1.397 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.417 -7.532 1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.701 -8.204 0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.853 -9.745 -1.605 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.850 -8.307 -1.845 1.00 0.00 H new ATOM 739 N ILE A 46 -5.265 -4.668 0.833 1.00 0.00 N ATOM 740 CA ILE A 46 -5.689 -3.463 1.527 1.00 0.00 C ATOM 741 C ILE A 46 -6.255 -2.468 0.513 1.00 0.00 C ATOM 742 O ILE A 46 -7.281 -1.837 0.763 1.00 0.00 O ATOM 743 CB ILE A 46 -4.542 -2.899 2.369 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.099 -3.903 3.435 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.923 -1.547 2.977 1.00 0.00 C ATOM 746 CD1 ILE A 46 -3.097 -3.269 4.402 1.00 0.00 C ATOM 0 H ILE A 46 -4.262 -4.852 0.871 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.489 -3.690 2.231 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.688 -2.729 1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.968 -4.259 3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.648 -4.772 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.091 -1.168 3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.151 -0.841 2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.798 -1.669 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.798 -4.004 5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.219 -2.936 3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.559 -2.415 4.897 1.00 0.00 H new ATOM 758 N LEU A 47 -5.561 -2.358 -0.611 1.00 0.00 N ATOM 759 CA LEU A 47 -5.982 -1.450 -1.664 1.00 0.00 C ATOM 760 C LEU A 47 -7.411 -1.795 -2.088 1.00 0.00 C ATOM 761 O LEU A 47 -8.201 -0.906 -2.401 1.00 0.00 O ATOM 762 CB LEU A 47 -4.977 -1.465 -2.818 1.00 0.00 C ATOM 763 CG LEU A 47 -5.290 -2.426 -3.967 1.00 0.00 C ATOM 764 CD1 LEU A 47 -6.063 -1.716 -5.080 1.00 0.00 C ATOM 765 CD2 LEU A 47 -4.015 -3.091 -4.489 1.00 0.00 C ATOM 0 H LEU A 47 -4.710 -2.883 -0.815 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.997 -0.423 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.905 -0.456 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.996 -1.718 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.932 -3.219 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.273 -2.421 -5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.001 -1.330 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.466 -0.890 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.266 -3.769 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.328 -2.326 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.542 -3.652 -3.684 1.00 0.00 H new ATOM 777 N LYS A 48 -7.699 -3.088 -2.085 1.00 0.00 N ATOM 778 CA LYS A 48 -9.019 -3.562 -2.466 1.00 0.00 C ATOM 779 C LYS A 48 -10.071 -2.894 -1.578 1.00 0.00 C ATOM 780 O LYS A 48 -11.227 -2.757 -1.975 1.00 0.00 O ATOM 781 CB LYS A 48 -9.069 -5.090 -2.436 1.00 0.00 C ATOM 782 CG LYS A 48 -8.374 -5.686 -3.662 1.00 0.00 C ATOM 783 CD LYS A 48 -9.394 -6.101 -4.723 1.00 0.00 C ATOM 784 CE LYS A 48 -9.069 -7.487 -5.284 1.00 0.00 C ATOM 785 NZ LYS A 48 -10.086 -8.472 -4.852 1.00 0.00 N ATOM 0 H LYS A 48 -7.041 -3.823 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.243 -3.280 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.589 -5.455 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.106 -5.423 -2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.683 -4.956 -4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.782 -6.551 -3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.394 -6.106 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.401 -5.370 -5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.033 -7.446 -6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.082 -7.801 -4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.851 -9.407 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.101 -8.523 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.022 -8.179 -5.198 1.00 0.00 H new ATOM 799 N GLU A 49 -9.633 -2.496 -0.393 1.00 0.00 N ATOM 800 CA GLU A 49 -10.522 -1.847 0.555 1.00 0.00 C ATOM 801 C GLU A 49 -11.003 -0.505 -0.002 1.00 0.00 C ATOM 802 O GLU A 49 -11.715 0.233 0.676 1.00 0.00 O ATOM 803 CB GLU A 49 -9.839 -1.664 1.912 1.00 0.00 C ATOM 804 CG GLU A 49 -10.778 -2.054 3.055 1.00 0.00 C ATOM 805 CD GLU A 49 -11.061 -0.857 3.965 1.00 0.00 C ATOM 806 OE1 GLU A 49 -10.150 -0.010 4.088 1.00 0.00 O ATOM 807 OE2 GLU A 49 -12.182 -0.816 4.517 1.00 0.00 O ATOM 0 H GLU A 49 -8.673 -2.611 -0.067 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.390 -2.488 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.936 -2.274 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.528 -0.626 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.714 -2.435 2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.333 -2.861 3.637 1.00 0.00 H new ATOM 885 N VAL A 54 -2.965 1.019 -5.509 1.00 0.00 N ATOM 886 CA VAL A 54 -1.835 0.113 -5.637 1.00 0.00 C ATOM 887 C VAL A 54 -2.208 -1.028 -6.585 1.00 0.00 C ATOM 888 O VAL A 54 -3.026 -0.850 -7.487 1.00 0.00 O ATOM 889 CB VAL A 54 -1.397 -0.376 -4.256 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.111 -0.630 -4.217 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.814 0.614 -3.166 1.00 0.00 C ATOM 0 HA VAL A 54 -0.978 0.629 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.901 -1.322 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.396 -0.977 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.371 -1.389 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.642 0.294 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.490 0.242 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.351 1.582 -3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.898 0.724 -3.170 1.00 0.00 H new ATOM 901 N ALA A 55 -1.590 -2.176 -6.350 1.00 0.00 N ATOM 902 CA ALA A 55 -1.846 -3.347 -7.171 1.00 0.00 C ATOM 903 C ALA A 55 -0.697 -4.343 -7.004 1.00 0.00 C ATOM 904 O ALA A 55 0.462 -3.947 -6.888 1.00 0.00 O ATOM 905 CB ALA A 55 -2.038 -2.917 -8.627 1.00 0.00 C ATOM 0 H ALA A 55 -0.912 -2.320 -5.602 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.762 -3.845 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.230 -3.795 -9.243 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.884 -2.233 -8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.137 -2.416 -8.980 1.00 0.00 H new ATOM 911 N ARG A 56 -1.058 -5.618 -6.996 1.00 0.00 N ATOM 912 CA ARG A 56 -0.072 -6.674 -6.845 1.00 0.00 C ATOM 913 C ARG A 56 1.248 -6.266 -7.502 1.00 0.00 C ATOM 914 O ARG A 56 2.314 -6.415 -6.906 1.00 0.00 O ATOM 915 CB ARG A 56 -0.563 -7.980 -7.473 1.00 0.00 C ATOM 916 CG ARG A 56 -1.755 -8.547 -6.699 1.00 0.00 C ATOM 917 CD ARG A 56 -2.865 -8.994 -7.653 1.00 0.00 C ATOM 918 NE ARG A 56 -4.124 -8.286 -7.331 1.00 0.00 N ATOM 919 CZ ARG A 56 -5.213 -8.297 -8.112 1.00 0.00 C ATOM 920 NH1 ARG A 56 -5.203 -8.978 -9.266 1.00 0.00 N ATOM 921 NH2 ARG A 56 -6.311 -7.625 -7.740 1.00 0.00 N ATOM 0 H ARG A 56 -2.020 -5.943 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 56 0.083 -6.832 -5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.849 -7.804 -8.510 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.247 -8.709 -7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.430 -9.392 -6.092 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.141 -7.792 -6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.575 -8.788 -8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.013 -10.071 -7.573 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.166 -7.757 -6.460 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.367 -9.488 -9.550 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.032 -8.986 -9.860 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.318 -7.105 -6.862 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.140 -7.633 -8.334 1.00 0.00 H new ATOM 935 N ARG A 57 1.135 -5.758 -8.720 1.00 0.00 N ATOM 936 CA ARG A 57 2.306 -5.327 -9.464 1.00 0.00 C ATOM 937 C ARG A 57 3.027 -4.205 -8.714 1.00 0.00 C ATOM 938 O ARG A 57 4.227 -4.293 -8.462 1.00 0.00 O ATOM 939 CB ARG A 57 1.921 -4.834 -10.860 1.00 0.00 C ATOM 940 CG ARG A 57 2.943 -5.289 -11.903 1.00 0.00 C ATOM 941 CD ARG A 57 3.244 -4.170 -12.902 1.00 0.00 C ATOM 942 NE ARG A 57 3.841 -4.735 -14.132 1.00 0.00 N ATOM 943 CZ ARG A 57 5.113 -5.145 -14.231 1.00 0.00 C ATOM 944 NH1 ARG A 57 5.930 -5.055 -13.172 1.00 0.00 N ATOM 945 NH2 ARG A 57 5.568 -5.646 -15.387 1.00 0.00 N ATOM 0 H ARG A 57 0.249 -5.635 -9.211 1.00 0.00 H new ATOM 0 HA ARG A 57 2.970 -6.186 -9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.934 -5.213 -11.124 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.856 -3.746 -10.860 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.864 -5.595 -11.406 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.562 -6.162 -12.433 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.327 -3.634 -13.146 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.927 -3.447 -12.456 1.00 0.00 H new ATOM 0 HE ARG A 57 3.247 -4.818 -14.957 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.583 -4.675 -12.291 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.898 -5.367 -13.247 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.946 -5.716 -16.193 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.536 -5.958 -15.462 1.00 0.00 H new ATOM 959 N THR A 58 2.264 -3.174 -8.380 1.00 0.00 N ATOM 960 CA THR A 58 2.815 -2.036 -7.665 1.00 0.00 C ATOM 961 C THR A 58 3.388 -2.479 -6.317 1.00 0.00 C ATOM 962 O THR A 58 4.504 -2.105 -5.960 1.00 0.00 O ATOM 963 CB THR A 58 1.715 -0.979 -7.539 1.00 0.00 C ATOM 964 OG1 THR A 58 1.841 -0.205 -8.729 1.00 0.00 O ATOM 965 CG2 THR A 58 1.989 0.020 -6.413 1.00 0.00 C ATOM 0 H THR A 58 1.269 -3.103 -8.592 1.00 0.00 H new ATOM 0 HA THR A 58 3.650 -1.595 -8.209 1.00 0.00 H new ATOM 0 HB THR A 58 0.758 -1.470 -7.363 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.164 0.504 -8.732 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.179 0.748 -6.367 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.054 -0.511 -5.463 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.930 0.536 -6.605 1.00 0.00 H new ATOM 973 N VAL A 59 2.598 -3.270 -5.606 1.00 0.00 N ATOM 974 CA VAL A 59 3.013 -3.769 -4.306 1.00 0.00 C ATOM 975 C VAL A 59 4.310 -4.566 -4.460 1.00 0.00 C ATOM 976 O VAL A 59 5.231 -4.421 -3.659 1.00 0.00 O ATOM 977 CB VAL A 59 1.883 -4.582 -3.672 1.00 0.00 C ATOM 978 CG1 VAL A 59 2.043 -4.651 -2.152 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.516 -4.011 -4.054 1.00 0.00 C ATOM 0 H VAL A 59 1.673 -3.578 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 59 3.219 -2.941 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 59 1.942 -5.598 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.227 -5.235 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.994 -5.125 -1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.023 -3.643 -1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.270 -4.607 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.442 -2.980 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.400 -4.038 -5.138 1.00 0.00 H new ATOM 989 N ALA A 60 4.339 -5.392 -5.496 1.00 0.00 N ATOM 990 CA ALA A 60 5.507 -6.213 -5.765 1.00 0.00 C ATOM 991 C ALA A 60 6.743 -5.316 -5.866 1.00 0.00 C ATOM 992 O ALA A 60 7.805 -5.657 -5.348 1.00 0.00 O ATOM 993 CB ALA A 60 5.275 -7.030 -7.038 1.00 0.00 C ATOM 0 H ALA A 60 3.573 -5.510 -6.159 1.00 0.00 H new ATOM 0 HA ALA A 60 5.676 -6.918 -4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.151 -7.646 -7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.404 -7.671 -6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.105 -6.356 -7.877 1.00 0.00 H new ATOM 999 N LYS A 61 6.563 -4.187 -6.535 1.00 0.00 N ATOM 1000 CA LYS A 61 7.650 -3.240 -6.710 1.00 0.00 C ATOM 1001 C LYS A 61 8.084 -2.710 -5.342 1.00 0.00 C ATOM 1002 O LYS A 61 9.278 -2.617 -5.058 1.00 0.00 O ATOM 1003 CB LYS A 61 7.249 -2.140 -7.696 1.00 0.00 C ATOM 1004 CG LYS A 61 7.736 -2.468 -9.109 1.00 0.00 C ATOM 1005 CD LYS A 61 8.786 -1.458 -9.575 1.00 0.00 C ATOM 1006 CE LYS A 61 9.935 -2.158 -10.304 1.00 0.00 C ATOM 1007 NZ LYS A 61 10.936 -1.169 -10.765 1.00 0.00 N ATOM 0 H LYS A 61 5.680 -3.907 -6.962 1.00 0.00 H new ATOM 0 HA LYS A 61 8.516 -3.732 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.165 -2.026 -7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.669 -1.187 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.159 -3.472 -9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.892 -2.465 -9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.323 -0.726 -10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.175 -0.910 -8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.408 -2.881 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.547 -2.716 -11.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.709 -1.661 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.484 -0.495 -11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.319 -0.655 -9.946 1.00 0.00 H new ATOM 1021 N TYR A 62 7.092 -2.377 -4.530 1.00 0.00 N ATOM 1022 CA TYR A 62 7.356 -1.859 -3.198 1.00 0.00 C ATOM 1023 C TYR A 62 7.999 -2.928 -2.312 1.00 0.00 C ATOM 1024 O TYR A 62 8.913 -2.634 -1.543 1.00 0.00 O ATOM 1025 CB TYR A 62 5.993 -1.482 -2.614 1.00 0.00 C ATOM 1026 CG TYR A 62 5.461 -0.131 -3.098 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.485 0.179 -4.442 1.00 0.00 C ATOM 1028 CD2 TYR A 62 4.957 0.777 -2.189 1.00 0.00 C ATOM 1029 CE1 TYR A 62 4.985 1.450 -4.897 1.00 0.00 C ATOM 1030 CE2 TYR A 62 4.456 2.048 -2.644 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.495 2.322 -3.976 1.00 0.00 C ATOM 1032 OH TYR A 62 4.022 3.522 -4.406 1.00 0.00 O ATOM 0 H TYR A 62 6.103 -2.456 -4.769 1.00 0.00 H new ATOM 0 HA TYR A 62 8.040 -1.011 -3.244 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.272 -2.258 -2.871 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.068 -1.463 -1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.879 -0.532 -5.153 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.938 0.534 -1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 62 4.999 1.705 -5.946 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.058 2.768 -1.944 1.00 0.00 H new ATOM 0 HH TYR A 62 4.466 4.244 -3.914 1.00 0.00 H new ATOM 1042 N ARG A 63 7.497 -4.146 -2.450 1.00 0.00 N ATOM 1043 CA ARG A 63 8.011 -5.260 -1.671 1.00 0.00 C ATOM 1044 C ARG A 63 9.520 -5.403 -1.882 1.00 0.00 C ATOM 1045 O ARG A 63 10.261 -5.655 -0.934 1.00 0.00 O ATOM 1046 CB ARG A 63 7.322 -6.569 -2.062 1.00 0.00 C ATOM 1047 CG ARG A 63 7.538 -7.642 -0.993 1.00 0.00 C ATOM 1048 CD ARG A 63 8.438 -8.763 -1.516 1.00 0.00 C ATOM 1049 NE ARG A 63 8.487 -9.872 -0.537 1.00 0.00 N ATOM 1050 CZ ARG A 63 9.231 -9.857 0.578 1.00 0.00 C ATOM 1051 NH1 ARG A 63 9.993 -8.792 0.861 1.00 0.00 N ATOM 1052 NH2 ARG A 63 9.213 -10.908 1.409 1.00 0.00 N ATOM 0 H ARG A 63 6.740 -4.386 -3.090 1.00 0.00 H new ATOM 0 HA ARG A 63 7.805 -5.054 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.255 -6.396 -2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.713 -6.919 -3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.988 -7.193 -0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.577 -8.055 -0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.061 -9.127 -2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.443 -8.380 -1.695 1.00 0.00 H new ATOM 0 HE ARG A 63 7.919 -10.699 -0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.007 -7.992 0.228 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.559 -8.781 1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.633 -11.719 1.193 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.779 -10.897 2.258 1.00 0.00 H new ATOM 1066 N GLU A 64 9.929 -5.236 -3.131 1.00 0.00 N ATOM 1067 CA GLU A 64 11.336 -5.344 -3.478 1.00 0.00 C ATOM 1068 C GLU A 64 12.117 -4.162 -2.900 1.00 0.00 C ATOM 1069 O GLU A 64 13.240 -4.328 -2.427 1.00 0.00 O ATOM 1070 CB GLU A 64 11.521 -5.434 -4.994 1.00 0.00 C ATOM 1071 CG GLU A 64 12.194 -6.751 -5.387 1.00 0.00 C ATOM 1072 CD GLU A 64 11.627 -7.285 -6.704 1.00 0.00 C ATOM 1073 OE1 GLU A 64 10.391 -7.197 -6.868 1.00 0.00 O ATOM 1074 OE2 GLU A 64 12.443 -7.769 -7.518 1.00 0.00 O ATOM 0 H GLU A 64 9.311 -5.027 -3.915 1.00 0.00 H new ATOM 0 HA GLU A 64 11.729 -6.262 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.552 -5.355 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.125 -4.595 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.269 -6.599 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.047 -7.488 -4.598 1.00 0.00 H new ATOM 1081 N MET A 65 11.492 -2.996 -2.957 1.00 0.00 N ATOM 1082 CA MET A 65 12.114 -1.787 -2.445 1.00 0.00 C ATOM 1083 C MET A 65 12.248 -1.842 -0.922 1.00 0.00 C ATOM 1084 O MET A 65 13.232 -1.359 -0.364 1.00 0.00 O ATOM 1085 CB MET A 65 11.272 -0.572 -2.840 1.00 0.00 C ATOM 1086 CG MET A 65 11.373 -0.300 -4.342 1.00 0.00 C ATOM 1087 SD MET A 65 10.857 1.372 -4.696 1.00 0.00 S ATOM 1088 CE MET A 65 9.309 1.049 -5.525 1.00 0.00 C ATOM 0 H MET A 65 10.560 -2.862 -3.350 1.00 0.00 H new ATOM 0 HA MET A 65 13.112 -1.704 -2.876 1.00 0.00 H new ATOM 0 HB2 MET A 65 10.231 -0.742 -2.567 1.00 0.00 H new ATOM 0 HB3 MET A 65 11.608 0.304 -2.285 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.398 -0.452 -4.679 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.749 -1.006 -4.890 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.655 1.915 -5.424 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.495 0.856 -6.581 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.831 0.179 -5.076 1.00 0.00 H new ATOM 1098 N LEU A 66 11.244 -2.435 -0.293 1.00 0.00 N ATOM 1099 CA LEU A 66 11.237 -2.559 1.155 1.00 0.00 C ATOM 1100 C LEU A 66 12.178 -3.692 1.569 1.00 0.00 C ATOM 1101 O LEU A 66 13.233 -3.446 2.150 1.00 0.00 O ATOM 1102 CB LEU A 66 9.807 -2.727 1.671 1.00 0.00 C ATOM 1103 CG LEU A 66 9.107 -1.449 2.136 1.00 0.00 C ATOM 1104 CD1 LEU A 66 9.646 -0.226 1.390 1.00 0.00 C ATOM 1105 CD2 LEU A 66 7.588 -1.576 2.005 1.00 0.00 C ATOM 0 H LEU A 66 10.430 -2.835 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 66 11.613 -1.647 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.208 -3.179 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.822 -3.432 2.502 1.00 0.00 H new ATOM 0 HG LEU A 66 9.328 -1.305 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.132 0.669 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.715 -0.127 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.476 -0.348 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.115 -0.654 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.327 -1.757 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.238 -2.408 2.617 1.00 0.00 H new