USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 518 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 54 SER OG : rot 170:sc= -1.56 USER MOD Set 1.2: A 56 THR OG1 : rot 89:sc= 1.15 USER MOD Set 2.1: A 27 CYS SG : rot -59:sc= 0.353 USER MOD Set 2.2: A 28 CYS SG : rot -24:sc= 1.7 USER MOD Set 2.3: A 30 SER OG : rot -63:sc= -1.16! USER MOD Single : A 17 GLN : amide:sc= -0.57 K(o=-0.57,f=-3.3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 14:sc= 0.652! USER MOD Single : A 37 ASN : amide:sc= -2.27! C(o=-2.3!,f=-3.9!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -34:sc= 0.755 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -3.78! C(o=-3.8!,f=-8!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -170:sc= 0.055 USER MOD Single : A 70 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.75! X(o=-1.8!,f=-1.6) USER MOD Single : A 83 ASN :FLIP amide:sc= -1.38 F(o=-2.2!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 275 N GLN A 17 8.959 -2.865 -6.432 1.00 0.00 N ATOM 276 CA GLN A 17 9.008 -3.758 -5.278 1.00 0.00 C ATOM 277 C GLN A 17 7.760 -3.588 -4.426 1.00 0.00 C ATOM 278 O GLN A 17 7.586 -2.575 -3.748 1.00 0.00 O ATOM 279 CB GLN A 17 10.249 -3.450 -4.439 1.00 0.00 C ATOM 280 CG GLN A 17 10.316 -4.425 -3.265 1.00 0.00 C ATOM 281 CD GLN A 17 11.650 -4.286 -2.543 1.00 0.00 C ATOM 282 OE1 GLN A 17 12.612 -3.765 -3.108 1.00 0.00 O ATOM 283 NE2 GLN A 17 11.766 -4.722 -1.318 1.00 0.00 N ATOM 0 HA GLN A 17 9.056 -4.788 -5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.147 -3.537 -5.051 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.210 -2.424 -4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.497 -4.229 -2.573 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.193 -5.447 -3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.967 -5.153 -0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.655 -4.631 -0.826 1.00 0.00 H new ATOM 292 N LYS A 18 6.895 -4.595 -4.462 1.00 0.00 N ATOM 293 CA LYS A 18 5.659 -4.568 -3.686 1.00 0.00 C ATOM 294 C LYS A 18 5.882 -5.195 -2.318 1.00 0.00 C ATOM 295 O LYS A 18 6.568 -6.209 -2.191 1.00 0.00 O ATOM 296 CB LYS A 18 4.561 -5.332 -4.427 1.00 0.00 C ATOM 297 CG LYS A 18 5.076 -6.716 -4.831 1.00 0.00 C ATOM 298 CD LYS A 18 3.935 -7.530 -5.453 1.00 0.00 C ATOM 299 CE LYS A 18 3.577 -6.976 -6.839 1.00 0.00 C ATOM 300 NZ LYS A 18 2.777 -7.988 -7.583 1.00 0.00 N ATOM 0 H LYS A 18 7.026 -5.439 -5.019 1.00 0.00 H new ATOM 0 HA LYS A 18 5.352 -3.530 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.682 -5.432 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.252 -4.776 -5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.895 -6.616 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.473 -7.236 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.230 -8.576 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.060 -7.497 -4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.010 -6.051 -6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.485 -6.735 -7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.533 -7.615 -8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.334 -8.860 -7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.905 -8.197 -7.056 1.00 0.00 H new ATOM 314 N SER A 19 5.301 -4.584 -1.292 1.00 0.00 N ATOM 315 CA SER A 19 5.438 -5.085 0.074 1.00 0.00 C ATOM 316 C SER A 19 4.094 -5.024 0.791 1.00 0.00 C ATOM 317 O SER A 19 3.270 -4.154 0.512 1.00 0.00 O ATOM 318 CB SER A 19 6.467 -4.247 0.833 1.00 0.00 C ATOM 319 OG SER A 19 7.747 -4.435 0.242 1.00 0.00 O ATOM 0 H SER A 19 4.731 -3.742 -1.378 1.00 0.00 H new ATOM 0 HA SER A 19 5.774 -6.121 0.038 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.190 -3.193 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.491 -4.540 1.883 1.00 0.00 H new ATOM 0 HG SER A 19 8.411 -3.899 0.723 1.00 0.00 H new ATOM 325 N TYR A 20 3.881 -5.953 1.720 1.00 0.00 N ATOM 326 CA TYR A 20 2.633 -6.001 2.482 1.00 0.00 C ATOM 327 C TYR A 20 2.869 -5.495 3.900 1.00 0.00 C ATOM 328 O TYR A 20 3.734 -6.000 4.615 1.00 0.00 O ATOM 329 CB TYR A 20 2.117 -7.440 2.538 1.00 0.00 C ATOM 330 CG TYR A 20 1.736 -7.887 1.148 1.00 0.00 C ATOM 331 CD1 TYR A 20 0.489 -7.538 0.620 1.00 0.00 C ATOM 332 CD2 TYR A 20 2.629 -8.652 0.388 1.00 0.00 C ATOM 333 CE1 TYR A 20 0.133 -7.952 -0.670 1.00 0.00 C ATOM 334 CE2 TYR A 20 2.275 -9.065 -0.901 1.00 0.00 C ATOM 335 CZ TYR A 20 1.027 -8.716 -1.431 1.00 0.00 C ATOM 336 OH TYR A 20 0.677 -9.125 -2.701 1.00 0.00 O ATOM 0 H TYR A 20 4.553 -6.681 1.964 1.00 0.00 H new ATOM 0 HA TYR A 20 1.895 -5.367 1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.884 -8.098 2.947 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.255 -7.504 3.202 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.200 -6.949 1.207 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.591 -8.923 0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.830 -7.682 -1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.965 -9.653 -1.488 1.00 0.00 H new ATOM 0 HH TYR A 20 1.411 -9.645 -3.091 1.00 0.00 H new ATOM 346 N PHE A 21 2.092 -4.490 4.300 1.00 0.00 N ATOM 347 CA PHE A 21 2.211 -3.907 5.637 1.00 0.00 C ATOM 348 C PHE A 21 1.026 -4.327 6.499 1.00 0.00 C ATOM 349 O PHE A 21 -0.122 -4.009 6.188 1.00 0.00 O ATOM 350 CB PHE A 21 2.251 -2.380 5.532 1.00 0.00 C ATOM 351 CG PHE A 21 3.401 -1.967 4.643 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.318 -2.172 3.260 1.00 0.00 C ATOM 353 CD2 PHE A 21 4.550 -1.387 5.196 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.379 -1.797 2.432 1.00 0.00 C ATOM 355 CE2 PHE A 21 5.613 -1.010 4.364 1.00 0.00 C ATOM 356 CZ PHE A 21 5.526 -1.216 2.982 1.00 0.00 C ATOM 0 H PHE A 21 1.373 -4.062 3.718 1.00 0.00 H new ATOM 0 HA PHE A 21 3.132 -4.265 6.098 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.311 -2.008 5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.366 -1.939 6.522 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.433 -2.620 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.617 -1.230 6.263 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.313 -1.956 1.366 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.499 -0.561 4.789 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.345 -0.926 2.340 1.00 0.00 H new ATOM 366 N ASP A 22 1.312 -5.042 7.581 1.00 0.00 N ATOM 367 CA ASP A 22 0.259 -5.500 8.482 1.00 0.00 C ATOM 368 C ASP A 22 -0.060 -4.417 9.504 1.00 0.00 C ATOM 369 O ASP A 22 0.705 -4.196 10.441 1.00 0.00 O ATOM 370 CB ASP A 22 0.714 -6.766 9.209 1.00 0.00 C ATOM 371 CG ASP A 22 -0.456 -7.377 9.971 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.515 -6.771 9.978 1.00 0.00 O ATOM 373 OD2 ASP A 22 -0.279 -8.445 10.533 1.00 0.00 O ATOM 0 H ASP A 22 2.256 -5.316 7.855 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.635 -5.718 7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.107 -7.486 8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.524 -6.528 9.899 1.00 0.00 H new ATOM 378 N VAL A 23 -1.194 -3.743 9.317 1.00 0.00 N ATOM 379 CA VAL A 23 -1.611 -2.676 10.229 1.00 0.00 C ATOM 380 C VAL A 23 -2.676 -3.182 11.191 1.00 0.00 C ATOM 381 O VAL A 23 -3.791 -3.508 10.783 1.00 0.00 O ATOM 382 CB VAL A 23 -2.171 -1.503 9.429 1.00 0.00 C ATOM 383 CG1 VAL A 23 -2.388 -0.314 10.362 1.00 0.00 C ATOM 384 CG2 VAL A 23 -1.182 -1.115 8.330 1.00 0.00 C ATOM 0 H VAL A 23 -1.839 -3.915 8.546 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.742 -2.351 10.801 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.120 -1.790 8.976 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.788 0.526 9.794 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.093 -0.591 11.146 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.438 -0.027 10.813 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.583 -0.277 7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.232 -0.826 8.780 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.025 -1.965 7.666 1.00 0.00 H new ATOM 394 N LEU A 24 -2.324 -3.242 12.473 1.00 0.00 N ATOM 395 CA LEU A 24 -3.256 -3.711 13.502 1.00 0.00 C ATOM 396 C LEU A 24 -3.998 -2.537 14.127 1.00 0.00 C ATOM 397 O LEU A 24 -4.958 -2.725 14.875 1.00 0.00 O ATOM 398 CB LEU A 24 -2.482 -4.475 14.582 1.00 0.00 C ATOM 399 CG LEU A 24 -2.177 -5.906 14.100 1.00 0.00 C ATOM 400 CD1 LEU A 24 -3.473 -6.753 14.017 1.00 0.00 C ATOM 401 CD2 LEU A 24 -1.504 -5.841 12.716 1.00 0.00 C ATOM 0 H LEU A 24 -1.405 -2.974 12.826 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.988 -4.374 13.040 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.552 -3.954 14.812 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.064 -4.509 15.503 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.508 -6.382 14.817 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.229 -7.759 13.674 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.936 -6.808 15.002 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.167 -6.289 13.316 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.286 -6.851 12.370 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.173 -5.352 12.009 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.576 -5.274 12.789 1.00 0.00 H new ATOM 413 N GLY A 25 -3.553 -1.326 13.813 1.00 0.00 N ATOM 414 CA GLY A 25 -4.185 -0.122 14.344 1.00 0.00 C ATOM 415 C GLY A 25 -5.194 0.442 13.352 1.00 0.00 C ATOM 416 O GLY A 25 -5.402 1.653 13.290 1.00 0.00 O ATOM 0 H GLY A 25 -2.760 -1.151 13.196 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.684 -0.353 15.285 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.424 0.628 14.562 1.00 0.00 H new ATOM 420 N ILE A 26 -5.823 -0.442 12.581 1.00 0.00 N ATOM 421 CA ILE A 26 -6.817 -0.019 11.598 1.00 0.00 C ATOM 422 C ILE A 26 -8.193 0.076 12.246 1.00 0.00 C ATOM 423 O ILE A 26 -8.645 -0.864 12.900 1.00 0.00 O ATOM 424 CB ILE A 26 -6.871 -1.018 10.438 1.00 0.00 C ATOM 425 CG1 ILE A 26 -7.911 -0.552 9.414 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.255 -2.403 10.966 1.00 0.00 C ATOM 427 CD1 ILE A 26 -7.828 -1.427 8.165 1.00 0.00 C ATOM 0 H ILE A 26 -5.664 -1.449 12.617 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.530 0.961 11.218 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.892 -1.075 9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.911 -0.609 9.844 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.736 0.491 9.152 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.292 -3.111 10.138 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.513 -2.734 11.693 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.233 -2.352 11.444 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.568 -1.094 7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.831 -1.348 7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.025 -2.465 8.434 1.00 0.00 H new ATOM 439 N CYS A 27 -8.854 1.219 12.064 1.00 0.00 N ATOM 440 CA CYS A 27 -10.187 1.442 12.635 1.00 0.00 C ATOM 441 C CYS A 27 -11.229 1.546 11.531 1.00 0.00 C ATOM 442 O CYS A 27 -11.060 2.299 10.570 1.00 0.00 O ATOM 443 CB CYS A 27 -10.189 2.731 13.463 1.00 0.00 C ATOM 444 SG CYS A 27 -11.898 3.241 13.804 1.00 0.00 S ATOM 0 H CYS A 27 -8.491 2.006 11.526 1.00 0.00 H new ATOM 0 HA CYS A 27 -10.435 0.596 13.276 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.653 2.573 14.399 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -9.665 3.521 12.925 1.00 0.00 H new ATOM 0 HG CYS A 27 -12.525 3.437 12.682 1.00 0.00 H new ATOM 449 N CYS A 28 -12.319 0.798 11.687 1.00 0.00 N ATOM 450 CA CYS A 28 -13.401 0.819 10.710 1.00 0.00 C ATOM 451 C CYS A 28 -12.841 0.880 9.289 1.00 0.00 C ATOM 452 O CYS A 28 -11.686 0.520 9.053 1.00 0.00 O ATOM 453 CB CYS A 28 -14.298 2.033 10.979 1.00 0.00 C ATOM 454 SG CYS A 28 -13.475 3.533 10.387 1.00 0.00 S ATOM 0 H CYS A 28 -12.475 0.173 12.478 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.987 -0.095 10.804 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -15.257 1.909 10.476 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.506 2.116 12.046 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.190 3.338 10.351 1.00 0.00 H new ATOM 459 N THR A 29 -13.661 1.344 8.348 1.00 0.00 N ATOM 460 CA THR A 29 -13.247 1.462 6.951 1.00 0.00 C ATOM 461 C THR A 29 -13.254 2.929 6.519 1.00 0.00 C ATOM 462 O THR A 29 -12.827 3.261 5.415 1.00 0.00 O ATOM 463 CB THR A 29 -14.203 0.662 6.063 1.00 0.00 C ATOM 464 OG1 THR A 29 -14.173 1.192 4.747 1.00 0.00 O ATOM 465 CG2 THR A 29 -15.624 0.756 6.621 1.00 0.00 C ATOM 0 H THR A 29 -14.619 1.645 8.528 1.00 0.00 H new ATOM 0 HA THR A 29 -12.236 1.068 6.848 1.00 0.00 H new ATOM 0 HB THR A 29 -13.894 -0.383 6.044 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.403 1.791 4.653 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.302 0.185 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.645 0.350 7.632 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.938 1.799 6.642 1.00 0.00 H new ATOM 473 N SER A 30 -13.741 3.802 7.398 1.00 0.00 N ATOM 474 CA SER A 30 -13.796 5.228 7.090 1.00 0.00 C ATOM 475 C SER A 30 -12.388 5.821 7.051 1.00 0.00 C ATOM 476 O SER A 30 -12.196 6.946 6.592 1.00 0.00 O ATOM 477 CB SER A 30 -14.632 5.964 8.139 1.00 0.00 C ATOM 478 OG SER A 30 -13.917 6.005 9.366 1.00 0.00 O ATOM 0 H SER A 30 -14.099 3.551 8.319 1.00 0.00 H new ATOM 0 HA SER A 30 -14.260 5.349 6.111 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.853 6.976 7.800 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.588 5.459 8.279 1.00 0.00 H new ATOM 0 HG SER A 30 -13.782 5.092 9.697 1.00 0.00 H new ATOM 484 N GLU A 31 -11.412 5.056 7.543 1.00 0.00 N ATOM 485 CA GLU A 31 -10.017 5.508 7.568 1.00 0.00 C ATOM 486 C GLU A 31 -9.334 5.196 6.240 1.00 0.00 C ATOM 487 O GLU A 31 -8.188 5.584 6.014 1.00 0.00 O ATOM 488 CB GLU A 31 -9.263 4.834 8.735 1.00 0.00 C ATOM 489 CG GLU A 31 -9.306 5.726 9.981 1.00 0.00 C ATOM 490 CD GLU A 31 -10.750 5.984 10.396 1.00 0.00 C ATOM 491 OE1 GLU A 31 -11.525 6.393 9.550 1.00 0.00 O ATOM 492 OE2 GLU A 31 -11.057 5.767 11.554 1.00 0.00 O ATOM 0 H GLU A 31 -11.559 4.123 7.929 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.000 6.588 7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.712 3.866 8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.228 4.647 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.765 5.248 10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.804 6.672 9.777 1.00 0.00 H new ATOM 499 N VAL A 32 -10.051 4.521 5.357 1.00 0.00 N ATOM 500 CA VAL A 32 -9.509 4.200 4.047 1.00 0.00 C ATOM 501 C VAL A 32 -8.908 5.463 3.408 1.00 0.00 C ATOM 502 O VAL A 32 -7.735 5.467 3.035 1.00 0.00 O ATOM 503 CB VAL A 32 -10.619 3.616 3.142 1.00 0.00 C ATOM 504 CG1 VAL A 32 -10.303 3.861 1.653 1.00 0.00 C ATOM 505 CG2 VAL A 32 -10.748 2.110 3.384 1.00 0.00 C ATOM 0 H VAL A 32 -11.001 4.187 5.521 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.723 3.453 4.159 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.555 4.116 3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.099 3.441 1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.229 4.933 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.357 3.383 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.531 1.704 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.801 1.622 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.003 1.930 4.428 1.00 0.00 H new ATOM 515 N PRO A 33 -9.687 6.518 3.259 1.00 0.00 N ATOM 516 CA PRO A 33 -9.200 7.784 2.626 1.00 0.00 C ATOM 517 C PRO A 33 -7.943 8.321 3.301 1.00 0.00 C ATOM 518 O PRO A 33 -7.025 8.805 2.636 1.00 0.00 O ATOM 519 CB PRO A 33 -10.398 8.759 2.786 1.00 0.00 C ATOM 520 CG PRO A 33 -11.267 8.146 3.836 1.00 0.00 C ATOM 521 CD PRO A 33 -11.099 6.648 3.663 1.00 0.00 C ATOM 0 HA PRO A 33 -8.908 7.640 1.586 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.060 9.751 3.085 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.939 8.876 1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.964 8.464 4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.308 8.443 3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.306 6.109 4.588 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.774 6.251 2.905 1.00 0.00 H new ATOM 529 N ILE A 34 -7.908 8.226 4.619 1.00 0.00 N ATOM 530 CA ILE A 34 -6.763 8.702 5.376 1.00 0.00 C ATOM 531 C ILE A 34 -5.522 7.882 5.038 1.00 0.00 C ATOM 532 O ILE A 34 -4.432 8.428 4.869 1.00 0.00 O ATOM 533 CB ILE A 34 -7.052 8.619 6.878 1.00 0.00 C ATOM 534 CG1 ILE A 34 -8.146 9.629 7.243 1.00 0.00 C ATOM 535 CG2 ILE A 34 -5.782 8.949 7.667 1.00 0.00 C ATOM 536 CD1 ILE A 34 -8.654 9.368 8.669 1.00 0.00 C ATOM 0 H ILE A 34 -8.656 7.825 5.185 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.578 9.742 5.107 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.383 7.610 7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.754 10.643 7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.972 9.554 6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.991 8.889 8.735 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.999 8.236 7.410 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.451 9.957 7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.431 10.092 8.917 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.064 8.360 8.730 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.828 9.467 9.373 1.00 0.00 H new ATOM 548 N ILE A 35 -5.696 6.568 4.957 1.00 0.00 N ATOM 549 CA ILE A 35 -4.579 5.684 4.658 1.00 0.00 C ATOM 550 C ILE A 35 -4.015 5.994 3.275 1.00 0.00 C ATOM 551 O ILE A 35 -2.800 6.067 3.096 1.00 0.00 O ATOM 552 CB ILE A 35 -5.049 4.224 4.702 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.418 3.851 6.140 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.925 3.303 4.213 1.00 0.00 C ATOM 555 CD1 ILE A 35 -6.193 2.529 6.137 1.00 0.00 C ATOM 0 H ILE A 35 -6.590 6.096 5.093 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.799 5.840 5.403 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.920 4.107 4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.517 3.756 6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.022 4.639 6.589 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.263 2.267 4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.659 3.566 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.053 3.421 4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.458 2.260 7.160 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.101 2.641 5.545 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.572 1.744 5.705 1.00 0.00 H new ATOM 567 N GLU A 36 -4.899 6.176 2.305 1.00 0.00 N ATOM 568 CA GLU A 36 -4.474 6.477 0.944 1.00 0.00 C ATOM 569 C GLU A 36 -3.818 7.850 0.876 1.00 0.00 C ATOM 570 O GLU A 36 -2.894 8.072 0.093 1.00 0.00 O ATOM 571 CB GLU A 36 -5.675 6.437 0.003 1.00 0.00 C ATOM 572 CG GLU A 36 -6.196 5.001 -0.099 1.00 0.00 C ATOM 573 CD GLU A 36 -7.437 4.959 -0.983 1.00 0.00 C ATOM 574 OE1 GLU A 36 -7.801 5.998 -1.507 1.00 0.00 O ATOM 575 OE2 GLU A 36 -8.005 3.889 -1.123 1.00 0.00 O ATOM 0 H GLU A 36 -5.909 6.121 2.433 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.746 5.726 0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.462 7.095 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.390 6.803 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.423 4.353 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.434 4.620 0.894 1.00 0.00 H new ATOM 582 N ASN A 37 -4.306 8.770 1.698 1.00 0.00 N ATOM 583 CA ASN A 37 -3.768 10.123 1.723 1.00 0.00 C ATOM 584 C ASN A 37 -2.302 10.110 2.142 1.00 0.00 C ATOM 585 O ASN A 37 -1.491 10.866 1.611 1.00 0.00 O ATOM 586 CB ASN A 37 -4.568 10.990 2.700 1.00 0.00 C ATOM 587 CG ASN A 37 -4.005 12.407 2.724 1.00 0.00 C ATOM 588 OD1 ASN A 37 -2.954 12.669 2.141 1.00 0.00 O ATOM 589 ND2 ASN A 37 -4.648 13.345 3.368 1.00 0.00 N ATOM 0 H ASN A 37 -5.070 8.605 2.353 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.846 10.540 0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.617 11.012 2.404 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.528 10.557 3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.278 14.295 3.388 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.519 13.127 3.851 1.00 0.00 H new ATOM 596 N ILE A 38 -1.972 9.256 3.103 1.00 0.00 N ATOM 597 CA ILE A 38 -0.599 9.177 3.589 1.00 0.00 C ATOM 598 C ILE A 38 0.339 8.727 2.475 1.00 0.00 C ATOM 599 O ILE A 38 1.411 9.298 2.285 1.00 0.00 O ATOM 600 CB ILE A 38 -0.523 8.182 4.759 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.311 8.732 5.974 1.00 0.00 C ATOM 602 CG2 ILE A 38 0.946 7.949 5.144 1.00 0.00 C ATOM 603 CD1 ILE A 38 -0.453 9.701 6.805 1.00 0.00 C ATOM 0 H ILE A 38 -2.625 8.617 3.556 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.291 10.166 3.927 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.967 7.234 4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.208 9.244 5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.640 7.904 6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.997 7.244 5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.486 7.543 4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.398 8.895 5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.035 10.069 7.650 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.431 9.180 7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.146 10.541 6.182 1.00 0.00 H new ATOM 615 N LEU A 39 -0.074 7.711 1.732 1.00 0.00 N ATOM 616 CA LEU A 39 0.739 7.206 0.634 1.00 0.00 C ATOM 617 C LEU A 39 0.888 8.274 -0.443 1.00 0.00 C ATOM 618 O LEU A 39 1.945 8.411 -1.058 1.00 0.00 O ATOM 619 CB LEU A 39 0.100 5.935 0.051 1.00 0.00 C ATOM 620 CG LEU A 39 0.580 4.702 0.827 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.272 4.869 2.315 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.136 3.463 0.290 1.00 0.00 C ATOM 0 H LEU A 39 -0.959 7.223 1.867 1.00 0.00 H new ATOM 0 HA LEU A 39 1.731 6.956 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.986 6.008 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.362 5.837 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 39 1.657 4.590 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.616 3.989 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.783 5.753 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.803 4.984 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.201 2.582 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.212 3.581 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.092 3.341 -0.769 1.00 0.00 H new ATOM 634 N LYS A 40 -0.182 9.022 -0.672 1.00 0.00 N ATOM 635 CA LYS A 40 -0.160 10.067 -1.685 1.00 0.00 C ATOM 636 C LYS A 40 0.950 11.069 -1.394 1.00 0.00 C ATOM 637 O LYS A 40 1.643 11.520 -2.307 1.00 0.00 O ATOM 638 CB LYS A 40 -1.510 10.787 -1.719 1.00 0.00 C ATOM 639 CG LYS A 40 -1.522 11.797 -2.867 1.00 0.00 C ATOM 640 CD LYS A 40 -2.896 12.462 -2.949 1.00 0.00 C ATOM 641 CE LYS A 40 -2.911 13.459 -4.108 1.00 0.00 C ATOM 642 NZ LYS A 40 -4.263 14.079 -4.214 1.00 0.00 N ATOM 0 H LYS A 40 -1.068 8.926 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 40 0.029 9.607 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.316 10.065 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.687 11.296 -0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.751 12.551 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.292 11.297 -3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.669 11.707 -3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.121 12.973 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.157 14.230 -3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.657 12.953 -5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.273 14.757 -5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.972 13.338 -4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.488 14.575 -3.328 1.00 0.00 H new ATOM 656 N SER A 41 1.114 11.418 -0.124 1.00 0.00 N ATOM 657 CA SER A 41 2.145 12.371 0.267 1.00 0.00 C ATOM 658 C SER A 41 3.534 11.819 -0.049 1.00 0.00 C ATOM 659 O SER A 41 4.448 12.569 -0.394 1.00 0.00 O ATOM 660 CB SER A 41 2.041 12.671 1.761 1.00 0.00 C ATOM 661 OG SER A 41 2.289 11.480 2.496 1.00 0.00 O ATOM 0 H SER A 41 0.551 11.059 0.647 1.00 0.00 H new ATOM 0 HA SER A 41 1.995 13.291 -0.298 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.760 13.441 2.040 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.050 13.059 1.998 1.00 0.00 H new ATOM 0 HG SER A 41 1.941 10.710 1.999 1.00 0.00 H new ATOM 667 N LEU A 42 3.682 10.504 0.074 1.00 0.00 N ATOM 668 CA LEU A 42 4.962 9.859 -0.198 1.00 0.00 C ATOM 669 C LEU A 42 5.245 9.846 -1.693 1.00 0.00 C ATOM 670 O LEU A 42 4.327 9.771 -2.510 1.00 0.00 O ATOM 671 CB LEU A 42 4.947 8.424 0.331 1.00 0.00 C ATOM 672 CG LEU A 42 4.651 8.430 1.835 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.552 6.985 2.332 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.770 9.168 2.598 1.00 0.00 C ATOM 0 H LEU A 42 2.937 9.868 0.358 1.00 0.00 H new ATOM 0 HA LEU A 42 5.747 10.424 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.192 7.840 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.908 7.947 0.142 1.00 0.00 H new ATOM 0 HG LEU A 42 3.709 8.948 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.342 6.982 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.749 6.472 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.495 6.471 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.546 9.164 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.721 8.665 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.834 10.197 2.244 1.00 0.00 H new ATOM 686 N ASP A 43 6.528 9.919 -2.045 1.00 0.00 N ATOM 687 CA ASP A 43 6.942 9.914 -3.448 1.00 0.00 C ATOM 688 C ASP A 43 7.529 8.559 -3.821 1.00 0.00 C ATOM 689 O ASP A 43 8.101 7.863 -2.982 1.00 0.00 O ATOM 690 CB ASP A 43 7.983 11.010 -3.689 1.00 0.00 C ATOM 691 CG ASP A 43 9.201 10.788 -2.799 1.00 0.00 C ATOM 692 OD1 ASP A 43 9.282 9.737 -2.188 1.00 0.00 O ATOM 693 OD2 ASP A 43 10.039 11.674 -2.746 1.00 0.00 O ATOM 0 H ASP A 43 7.298 9.982 -1.379 1.00 0.00 H new ATOM 0 HA ASP A 43 6.068 10.104 -4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.285 11.010 -4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.547 11.987 -3.483 1.00 0.00 H new ATOM 698 N GLY A 44 7.381 8.188 -5.090 1.00 0.00 N ATOM 699 CA GLY A 44 7.894 6.911 -5.583 1.00 0.00 C ATOM 700 C GLY A 44 6.785 5.865 -5.630 1.00 0.00 C ATOM 701 O GLY A 44 6.886 4.876 -6.358 1.00 0.00 O ATOM 0 H GLY A 44 6.910 8.753 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.318 7.044 -6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.701 6.564 -4.937 1.00 0.00 H new ATOM 705 N VAL A 45 5.724 6.087 -4.857 1.00 0.00 N ATOM 706 CA VAL A 45 4.606 5.150 -4.832 1.00 0.00 C ATOM 707 C VAL A 45 3.855 5.185 -6.160 1.00 0.00 C ATOM 708 O VAL A 45 3.544 6.254 -6.682 1.00 0.00 O ATOM 709 CB VAL A 45 3.647 5.513 -3.700 1.00 0.00 C ATOM 710 CG1 VAL A 45 4.418 5.589 -2.383 1.00 0.00 C ATOM 711 CG2 VAL A 45 3.008 6.871 -3.994 1.00 0.00 C ATOM 0 H VAL A 45 5.616 6.897 -4.247 1.00 0.00 H new ATOM 0 HA VAL A 45 4.999 4.146 -4.669 1.00 0.00 H new ATOM 0 HB VAL A 45 2.870 4.752 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.734 5.848 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.877 4.623 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.194 6.351 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.323 7.133 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.786 7.630 -4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.459 6.819 -4.934 1.00 0.00 H new ATOM 721 N LYS A 46 3.569 4.006 -6.703 1.00 0.00 N ATOM 722 CA LYS A 46 2.854 3.903 -7.975 1.00 0.00 C ATOM 723 C LYS A 46 1.359 3.720 -7.742 1.00 0.00 C ATOM 724 O LYS A 46 0.541 4.476 -8.269 1.00 0.00 O ATOM 725 CB LYS A 46 3.399 2.709 -8.760 1.00 0.00 C ATOM 726 CG LYS A 46 4.862 2.944 -9.165 1.00 0.00 C ATOM 727 CD LYS A 46 4.944 3.843 -10.406 1.00 0.00 C ATOM 728 CE LYS A 46 6.405 3.988 -10.830 1.00 0.00 C ATOM 729 NZ LYS A 46 6.472 4.840 -12.046 1.00 0.00 N ATOM 0 H LYS A 46 3.819 3.110 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 46 3.004 4.823 -8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.325 1.806 -8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.792 2.546 -9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.403 3.406 -8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.346 1.989 -9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.358 3.414 -11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.518 4.822 -10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.989 4.434 -10.025 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.838 3.008 -11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.463 4.945 -12.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.927 4.395 -12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.073 5.777 -11.836 1.00 0.00 H new ATOM 743 N GLU A 47 1.006 2.715 -6.952 1.00 0.00 N ATOM 744 CA GLU A 47 -0.394 2.443 -6.658 1.00 0.00 C ATOM 745 C GLU A 47 -0.529 1.653 -5.363 1.00 0.00 C ATOM 746 O GLU A 47 0.437 1.064 -4.876 1.00 0.00 O ATOM 747 CB GLU A 47 -1.026 1.656 -7.810 1.00 0.00 C ATOM 748 CG GLU A 47 -0.096 0.508 -8.211 1.00 0.00 C ATOM 749 CD GLU A 47 -0.744 -0.321 -9.315 1.00 0.00 C ATOM 750 OE1 GLU A 47 -1.358 0.269 -10.189 1.00 0.00 O ATOM 751 OE2 GLU A 47 -0.617 -1.534 -9.270 1.00 0.00 O ATOM 0 H GLU A 47 1.666 2.078 -6.506 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.912 3.395 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.997 1.264 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.199 2.313 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.859 0.905 -8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.113 -0.122 -7.346 1.00 0.00 H new ATOM 758 N TYR A 48 -1.736 1.651 -4.810 1.00 0.00 N ATOM 759 CA TYR A 48 -2.004 0.937 -3.567 1.00 0.00 C ATOM 760 C TYR A 48 -3.489 0.636 -3.423 1.00 0.00 C ATOM 761 O TYR A 48 -4.327 1.242 -4.092 1.00 0.00 O ATOM 762 CB TYR A 48 -1.513 1.762 -2.372 1.00 0.00 C ATOM 763 CG TYR A 48 -1.911 3.207 -2.571 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.252 3.594 -2.445 1.00 0.00 C ATOM 765 CD2 TYR A 48 -0.938 4.162 -2.897 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.617 4.931 -2.643 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.304 5.499 -3.093 1.00 0.00 C ATOM 768 CZ TYR A 48 -2.644 5.883 -2.967 1.00 0.00 C ATOM 769 OH TYR A 48 -3.007 7.201 -3.157 1.00 0.00 O ATOM 0 H TYR A 48 -2.544 2.135 -5.202 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.466 -0.010 -3.592 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.943 1.377 -1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.430 1.680 -2.278 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.004 2.860 -2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.096 3.866 -2.997 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.651 5.228 -2.546 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.553 6.234 -3.341 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.212 7.731 -3.374 1.00 0.00 H new ATOM 779 N SER A 49 -3.809 -0.305 -2.538 1.00 0.00 N ATOM 780 CA SER A 49 -5.196 -0.685 -2.301 1.00 0.00 C ATOM 781 C SER A 49 -5.395 -1.077 -0.841 1.00 0.00 C ATOM 782 O SER A 49 -4.595 -1.820 -0.273 1.00 0.00 O ATOM 783 CB SER A 49 -5.573 -1.864 -3.206 1.00 0.00 C ATOM 784 OG SER A 49 -6.989 -1.932 -3.314 1.00 0.00 O ATOM 0 H SER A 49 -3.128 -0.816 -1.976 1.00 0.00 H new ATOM 0 HA SER A 49 -5.836 0.167 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.126 -1.739 -4.192 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.182 -2.794 -2.794 1.00 0.00 H new ATOM 0 HG SER A 49 -7.237 -2.683 -3.893 1.00 0.00 H new ATOM 790 N VAL A 50 -6.470 -0.574 -0.236 1.00 0.00 N ATOM 791 CA VAL A 50 -6.775 -0.880 1.159 1.00 0.00 C ATOM 792 C VAL A 50 -7.840 -1.964 1.238 1.00 0.00 C ATOM 793 O VAL A 50 -8.973 -1.765 0.796 1.00 0.00 O ATOM 794 CB VAL A 50 -7.280 0.376 1.866 1.00 0.00 C ATOM 795 CG1 VAL A 50 -7.341 0.123 3.373 1.00 0.00 C ATOM 796 CG2 VAL A 50 -6.326 1.537 1.580 1.00 0.00 C ATOM 0 H VAL A 50 -7.142 0.045 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.866 -1.233 1.646 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.276 0.625 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.701 1.019 3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.020 -0.705 3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.345 -0.125 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.684 2.435 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.330 1.288 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.283 1.716 0.506 1.00 0.00 H new ATOM 806 N ILE A 51 -7.474 -3.114 1.803 1.00 0.00 N ATOM 807 CA ILE A 51 -8.406 -4.231 1.939 1.00 0.00 C ATOM 808 C ILE A 51 -8.739 -4.453 3.409 1.00 0.00 C ATOM 809 O ILE A 51 -7.973 -5.080 4.143 1.00 0.00 O ATOM 810 CB ILE A 51 -7.777 -5.500 1.359 1.00 0.00 C ATOM 811 CG1 ILE A 51 -7.349 -5.241 -0.086 1.00 0.00 C ATOM 812 CG2 ILE A 51 -8.800 -6.636 1.376 1.00 0.00 C ATOM 813 CD1 ILE A 51 -6.558 -6.443 -0.605 1.00 0.00 C ATOM 0 H ILE A 51 -6.541 -3.296 2.173 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.322 -3.999 1.395 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.911 -5.777 1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.225 -5.071 -0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.739 -4.339 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.349 -7.538 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.116 -6.826 2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.666 -6.355 0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.252 -6.260 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.674 -6.592 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.183 -7.335 -0.565 1.00 0.00 H new ATOM 825 N VAL A 52 -9.892 -3.942 3.825 1.00 0.00 N ATOM 826 CA VAL A 52 -10.342 -4.093 5.205 1.00 0.00 C ATOM 827 C VAL A 52 -10.836 -5.521 5.457 1.00 0.00 C ATOM 828 O VAL A 52 -10.599 -6.084 6.525 1.00 0.00 O ATOM 829 CB VAL A 52 -11.475 -3.087 5.517 1.00 0.00 C ATOM 830 CG1 VAL A 52 -11.415 -2.662 6.987 1.00 0.00 C ATOM 831 CG2 VAL A 52 -11.322 -1.856 4.618 1.00 0.00 C ATOM 0 H VAL A 52 -10.532 -3.420 3.227 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.496 -3.891 5.862 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.437 -3.563 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.217 -1.954 7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.531 -3.539 7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.454 -2.190 7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.119 -1.145 4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.356 -1.387 4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.382 -2.159 3.573 1.00 0.00 H new ATOM 841 N PRO A 53 -11.528 -6.103 4.502 1.00 0.00 N ATOM 842 CA PRO A 53 -12.078 -7.488 4.639 1.00 0.00 C ATOM 843 C PRO A 53 -10.994 -8.512 4.961 1.00 0.00 C ATOM 844 O PRO A 53 -11.257 -9.534 5.597 1.00 0.00 O ATOM 845 CB PRO A 53 -12.716 -7.766 3.262 1.00 0.00 C ATOM 846 CG PRO A 53 -12.984 -6.418 2.674 1.00 0.00 C ATOM 847 CD PRO A 53 -11.865 -5.520 3.188 1.00 0.00 C ATOM 0 HA PRO A 53 -12.787 -7.567 5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.046 -8.346 2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.636 -8.341 3.363 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.986 -6.458 1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.960 -6.043 2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.007 -5.524 2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.193 -4.485 3.281 1.00 0.00 H new ATOM 855 N SER A 54 -9.774 -8.233 4.508 1.00 0.00 N ATOM 856 CA SER A 54 -8.641 -9.134 4.733 1.00 0.00 C ATOM 857 C SER A 54 -7.562 -8.446 5.554 1.00 0.00 C ATOM 858 O SER A 54 -6.425 -8.916 5.602 1.00 0.00 O ATOM 859 CB SER A 54 -8.049 -9.576 3.397 1.00 0.00 C ATOM 860 OG SER A 54 -7.334 -8.492 2.818 1.00 0.00 O ATOM 0 H SER A 54 -9.542 -7.390 3.982 1.00 0.00 H new ATOM 0 HA SER A 54 -9.004 -10.004 5.280 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.385 -10.427 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.842 -9.903 2.725 1.00 0.00 H new ATOM 0 HG SER A 54 -6.821 -8.813 2.047 1.00 0.00 H new ATOM 866 N ARG A 55 -7.926 -7.340 6.206 1.00 0.00 N ATOM 867 CA ARG A 55 -6.982 -6.589 7.043 1.00 0.00 C ATOM 868 C ARG A 55 -5.574 -6.638 6.458 1.00 0.00 C ATOM 869 O ARG A 55 -4.593 -6.810 7.184 1.00 0.00 O ATOM 870 CB ARG A 55 -6.957 -7.166 8.465 1.00 0.00 C ATOM 871 CG ARG A 55 -6.640 -8.669 8.419 1.00 0.00 C ATOM 872 CD ARG A 55 -6.451 -9.199 9.837 1.00 0.00 C ATOM 873 NE ARG A 55 -5.266 -8.604 10.442 1.00 0.00 N ATOM 874 CZ ARG A 55 -4.055 -9.109 10.224 1.00 0.00 C ATOM 875 NH1 ARG A 55 -3.911 -10.155 9.455 1.00 0.00 N ATOM 876 NH2 ARG A 55 -3.011 -8.558 10.778 1.00 0.00 N ATOM 0 H ARG A 55 -8.865 -6.943 6.172 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.316 -5.552 7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.209 -6.647 9.064 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.920 -7.004 8.949 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.450 -9.206 7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.738 -8.842 7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.330 -8.969 10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.352 -10.284 9.817 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.367 -7.786 11.043 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.728 -10.585 9.021 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.982 -10.541 9.288 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.124 -7.741 11.378 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.082 -8.944 10.612 1.00 0.00 H new ATOM 890 N THR A 56 -5.488 -6.500 5.139 1.00 0.00 N ATOM 891 CA THR A 56 -4.206 -6.545 4.438 1.00 0.00 C ATOM 892 C THR A 56 -4.024 -5.294 3.593 1.00 0.00 C ATOM 893 O THR A 56 -4.953 -4.849 2.915 1.00 0.00 O ATOM 894 CB THR A 56 -4.148 -7.779 3.538 1.00 0.00 C ATOM 895 OG1 THR A 56 -4.277 -8.949 4.334 1.00 0.00 O ATOM 896 CG2 THR A 56 -2.809 -7.805 2.799 1.00 0.00 C ATOM 0 H THR A 56 -6.294 -6.355 4.530 1.00 0.00 H new ATOM 0 HA THR A 56 -3.407 -6.596 5.177 1.00 0.00 H new ATOM 0 HB THR A 56 -4.961 -7.743 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.226 -9.174 4.434 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.765 -8.684 2.156 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.712 -6.906 2.191 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.995 -7.843 3.523 1.00 0.00 H new ATOM 904 N VAL A 57 -2.822 -4.729 3.641 1.00 0.00 N ATOM 905 CA VAL A 57 -2.507 -3.521 2.880 1.00 0.00 C ATOM 906 C VAL A 57 -1.450 -3.832 1.827 1.00 0.00 C ATOM 907 O VAL A 57 -0.425 -4.449 2.120 1.00 0.00 O ATOM 908 CB VAL A 57 -1.984 -2.432 3.825 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.431 -1.256 3.008 1.00 0.00 C ATOM 910 CG2 VAL A 57 -3.127 -1.942 4.715 1.00 0.00 C ATOM 0 H VAL A 57 -2.047 -5.088 4.199 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.413 -3.167 2.387 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.187 -2.844 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.061 -0.485 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.616 -1.605 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.223 -0.842 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.758 -1.168 5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.923 -1.533 4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.516 -2.776 5.300 1.00 0.00 H new ATOM 920 N ILE A 58 -1.709 -3.391 0.599 1.00 0.00 N ATOM 921 CA ILE A 58 -0.786 -3.610 -0.514 1.00 0.00 C ATOM 922 C ILE A 58 -0.443 -2.286 -1.180 1.00 0.00 C ATOM 923 O ILE A 58 -1.325 -1.488 -1.499 1.00 0.00 O ATOM 924 CB ILE A 58 -1.417 -4.546 -1.543 1.00 0.00 C ATOM 925 CG1 ILE A 58 -0.403 -4.845 -2.653 1.00 0.00 C ATOM 926 CG2 ILE A 58 -2.662 -3.890 -2.147 1.00 0.00 C ATOM 927 CD1 ILE A 58 -1.020 -5.813 -3.663 1.00 0.00 C ATOM 0 H ILE A 58 -2.554 -2.878 0.348 1.00 0.00 H new ATOM 0 HA ILE A 58 0.125 -4.063 -0.124 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.705 -5.477 -1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.111 -3.921 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.502 -5.277 -2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.108 -4.562 -2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.384 -3.684 -1.357 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.381 -2.956 -2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.298 -6.025 -4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.290 -6.741 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.912 -5.364 -4.099 1.00 0.00 H new ATOM 939 N VAL A 59 0.849 -2.066 -1.391 1.00 0.00 N ATOM 940 CA VAL A 59 1.327 -0.840 -2.028 1.00 0.00 C ATOM 941 C VAL A 59 2.525 -1.135 -2.924 1.00 0.00 C ATOM 942 O VAL A 59 3.443 -1.855 -2.533 1.00 0.00 O ATOM 943 CB VAL A 59 1.715 0.192 -0.962 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.664 -0.452 0.045 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.410 1.393 -1.620 1.00 0.00 C ATOM 0 H VAL A 59 1.587 -2.720 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 59 0.523 -0.434 -2.642 1.00 0.00 H new ATOM 0 HB VAL A 59 0.814 0.535 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.941 0.280 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.169 -1.299 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.560 -0.798 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.682 2.120 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.309 1.056 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.733 1.857 -2.337 1.00 0.00 H new ATOM 955 N VAL A 60 2.512 -0.561 -4.126 1.00 0.00 N ATOM 956 CA VAL A 60 3.606 -0.752 -5.078 1.00 0.00 C ATOM 957 C VAL A 60 4.453 0.511 -5.143 1.00 0.00 C ATOM 958 O VAL A 60 3.933 1.612 -5.329 1.00 0.00 O ATOM 959 CB VAL A 60 3.042 -1.069 -6.464 1.00 0.00 C ATOM 960 CG1 VAL A 60 4.195 -1.338 -7.426 1.00 0.00 C ATOM 961 CG2 VAL A 60 2.154 -2.312 -6.378 1.00 0.00 C ATOM 0 H VAL A 60 1.759 0.038 -4.463 1.00 0.00 H new ATOM 0 HA VAL A 60 4.226 -1.586 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 60 2.454 -0.224 -6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.798 -1.565 -8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.833 -0.456 -7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.779 -2.186 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.751 -2.540 -7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.744 -3.157 -6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.334 -2.126 -5.685 1.00 0.00 H new ATOM 971 N HIS A 61 5.760 0.345 -4.976 1.00 0.00 N ATOM 972 CA HIS A 61 6.680 1.472 -5.000 1.00 0.00 C ATOM 973 C HIS A 61 8.094 1.003 -5.322 1.00 0.00 C ATOM 974 O HIS A 61 8.413 -0.179 -5.189 1.00 0.00 O ATOM 975 CB HIS A 61 6.668 2.180 -3.642 1.00 0.00 C ATOM 976 CG HIS A 61 7.371 1.323 -2.619 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.689 1.541 -2.250 1.00 0.00 N ATOM 978 CD2 HIS A 61 6.952 0.238 -1.891 1.00 0.00 C ATOM 979 CE1 HIS A 61 9.014 0.610 -1.335 1.00 0.00 C ATOM 980 NE2 HIS A 61 7.991 -0.210 -1.080 1.00 0.00 N ATOM 0 H HIS A 61 6.205 -0.560 -4.823 1.00 0.00 H new ATOM 0 HA HIS A 61 6.358 2.167 -5.775 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.162 3.149 -3.721 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.641 2.370 -3.329 1.00 0.00 H new ATOM 0 HD1 HIS A 61 9.301 2.274 -2.607 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.967 -0.201 -1.940 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.983 0.535 -0.864 1.00 0.00 H new ATOM 989 N ASP A 62 8.938 1.937 -5.741 1.00 0.00 N ATOM 990 CA ASP A 62 10.322 1.612 -6.074 1.00 0.00 C ATOM 991 C ASP A 62 11.199 1.722 -4.832 1.00 0.00 C ATOM 992 O ASP A 62 11.330 2.797 -4.248 1.00 0.00 O ATOM 993 CB ASP A 62 10.840 2.562 -7.154 1.00 0.00 C ATOM 994 CG ASP A 62 12.113 2.000 -7.781 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.768 1.203 -7.131 1.00 0.00 O ATOM 996 OD2 ASP A 62 12.410 2.372 -8.905 1.00 0.00 O ATOM 0 H ASP A 62 8.692 2.920 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 62 10.360 0.589 -6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.079 2.702 -7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.041 3.542 -6.721 1.00 0.00 H new ATOM 1001 N SER A 63 11.801 0.607 -4.436 1.00 0.00 N ATOM 1002 CA SER A 63 12.665 0.592 -3.264 1.00 0.00 C ATOM 1003 C SER A 63 13.734 1.667 -3.377 1.00 0.00 C ATOM 1004 O SER A 63 14.104 2.293 -2.386 1.00 0.00 O ATOM 1005 CB SER A 63 13.330 -0.778 -3.121 1.00 0.00 C ATOM 1006 OG SER A 63 14.494 -0.655 -2.313 1.00 0.00 O ATOM 0 H SER A 63 11.707 -0.293 -4.907 1.00 0.00 H new ATOM 0 HA SER A 63 12.055 0.792 -2.383 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.635 -1.487 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.595 -1.170 -4.103 1.00 0.00 H new ATOM 0 HG SER A 63 14.921 -1.532 -2.219 1.00 0.00 H new ATOM 1012 N LEU A 64 14.235 1.877 -4.587 1.00 0.00 N ATOM 1013 CA LEU A 64 15.268 2.883 -4.790 1.00 0.00 C ATOM 1014 C LEU A 64 14.754 4.271 -4.414 1.00 0.00 C ATOM 1015 O LEU A 64 15.381 4.981 -3.626 1.00 0.00 O ATOM 1016 CB LEU A 64 15.702 2.886 -6.263 1.00 0.00 C ATOM 1017 CG LEU A 64 16.741 3.995 -6.518 1.00 0.00 C ATOM 1018 CD1 LEU A 64 17.947 3.818 -5.581 1.00 0.00 C ATOM 1019 CD2 LEU A 64 17.203 3.927 -7.980 1.00 0.00 C ATOM 0 H LEU A 64 13.950 1.375 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 64 16.117 2.638 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.125 1.916 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.834 3.039 -6.904 1.00 0.00 H new ATOM 0 HG LEU A 64 16.287 4.966 -6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 64 18.674 4.608 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 64 17.614 3.873 -4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 64 18.409 2.848 -5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.938 4.710 -8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 64 17.652 2.953 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.347 4.070 -8.639 1.00 0.00 H new ATOM 1031 N LEU A 65 13.618 4.655 -4.988 1.00 0.00 N ATOM 1032 CA LEU A 65 13.045 5.969 -4.713 1.00 0.00 C ATOM 1033 C LEU A 65 12.584 6.060 -3.268 1.00 0.00 C ATOM 1034 O LEU A 65 12.819 7.059 -2.589 1.00 0.00 O ATOM 1035 CB LEU A 65 11.863 6.222 -5.645 1.00 0.00 C ATOM 1036 CG LEU A 65 12.337 6.196 -7.108 1.00 0.00 C ATOM 1037 CD1 LEU A 65 11.128 6.341 -8.040 1.00 0.00 C ATOM 1038 CD2 LEU A 65 13.341 7.340 -7.371 1.00 0.00 C ATOM 0 H LEU A 65 13.081 4.083 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 65 13.812 6.724 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.096 5.464 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.409 7.186 -5.418 1.00 0.00 H new ATOM 0 HG LEU A 65 12.835 5.246 -7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.464 6.323 -9.077 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.435 5.517 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.624 7.286 -7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.666 7.307 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.861 8.298 -7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.205 7.223 -6.717 1.00 0.00 H new ATOM 1050 N ILE A 66 11.923 5.007 -2.803 1.00 0.00 N ATOM 1051 CA ILE A 66 11.423 4.969 -1.434 1.00 0.00 C ATOM 1052 C ILE A 66 11.388 3.544 -0.926 1.00 0.00 C ATOM 1053 O ILE A 66 10.885 2.645 -1.601 1.00 0.00 O ATOM 1054 CB ILE A 66 10.026 5.571 -1.374 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.559 5.618 0.082 1.00 0.00 C ATOM 1056 CG2 ILE A 66 9.056 4.713 -2.196 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.298 6.475 0.185 1.00 0.00 C ATOM 0 H ILE A 66 11.721 4.171 -3.351 1.00 0.00 H new ATOM 0 HA ILE A 66 12.093 5.552 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 66 10.048 6.580 -1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.357 4.610 0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.345 6.031 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.057 5.148 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.390 4.679 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.031 3.702 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.965 6.509 1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.516 7.486 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.512 6.042 -0.434 1.00 0.00 H new ATOM 1069 N SER A 67 11.929 3.337 0.271 1.00 0.00 N ATOM 1070 CA SER A 67 11.962 2.000 0.861 1.00 0.00 C ATOM 1071 C SER A 67 10.692 1.727 1.673 1.00 0.00 C ATOM 1072 O SER A 67 9.968 2.656 2.033 1.00 0.00 O ATOM 1073 CB SER A 67 13.200 1.841 1.764 1.00 0.00 C ATOM 1074 OG SER A 67 12.806 1.896 3.132 1.00 0.00 O ATOM 0 H SER A 67 12.346 4.068 0.847 1.00 0.00 H new ATOM 0 HA SER A 67 12.017 1.277 0.047 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.695 0.892 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.921 2.630 1.551 1.00 0.00 H new ATOM 0 HG SER A 67 13.603 1.954 3.700 1.00 0.00 H new ATOM 1080 N PRO A 68 10.415 0.475 1.975 1.00 0.00 N ATOM 1081 CA PRO A 68 9.211 0.089 2.778 1.00 0.00 C ATOM 1082 C PRO A 68 9.176 0.795 4.137 1.00 0.00 C ATOM 1083 O PRO A 68 8.109 1.117 4.656 1.00 0.00 O ATOM 1084 CB PRO A 68 9.354 -1.437 2.958 1.00 0.00 C ATOM 1085 CG PRO A 68 10.264 -1.881 1.859 1.00 0.00 C ATOM 1086 CD PRO A 68 11.209 -0.713 1.594 1.00 0.00 C ATOM 0 HA PRO A 68 8.284 0.376 2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.770 -1.680 3.936 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.386 -1.933 2.891 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.819 -2.773 2.149 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.698 -2.135 0.963 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.120 -0.793 2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.512 -0.673 0.548 1.00 0.00 H new ATOM 1094 N PHE A 69 10.352 1.019 4.711 1.00 0.00 N ATOM 1095 CA PHE A 69 10.440 1.664 6.015 1.00 0.00 C ATOM 1096 C PHE A 69 9.760 3.026 5.994 1.00 0.00 C ATOM 1097 O PHE A 69 9.044 3.385 6.927 1.00 0.00 O ATOM 1098 CB PHE A 69 11.907 1.838 6.416 1.00 0.00 C ATOM 1099 CG PHE A 69 12.508 0.494 6.747 1.00 0.00 C ATOM 1100 CD1 PHE A 69 12.341 -0.052 8.025 1.00 0.00 C ATOM 1101 CD2 PHE A 69 13.235 -0.208 5.777 1.00 0.00 C ATOM 1102 CE1 PHE A 69 12.901 -1.297 8.335 1.00 0.00 C ATOM 1103 CE2 PHE A 69 13.795 -1.454 6.086 1.00 0.00 C ATOM 1104 CZ PHE A 69 13.627 -1.999 7.365 1.00 0.00 C ATOM 0 H PHE A 69 11.250 0.766 4.299 1.00 0.00 H new ATOM 0 HA PHE A 69 9.933 1.029 6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.463 2.305 5.603 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.982 2.502 7.277 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.779 0.488 8.773 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.364 0.212 4.790 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.773 -1.716 9.322 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.356 -1.994 5.338 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.057 -2.961 7.603 1.00 0.00 H new ATOM 1114 N GLN A 70 9.983 3.783 4.932 1.00 0.00 N ATOM 1115 CA GLN A 70 9.389 5.104 4.820 1.00 0.00 C ATOM 1116 C GLN A 70 7.868 5.008 4.888 1.00 0.00 C ATOM 1117 O GLN A 70 7.218 5.809 5.559 1.00 0.00 O ATOM 1118 CB GLN A 70 9.808 5.742 3.495 1.00 0.00 C ATOM 1119 CG GLN A 70 9.342 7.197 3.443 1.00 0.00 C ATOM 1120 CD GLN A 70 10.081 8.020 4.493 1.00 0.00 C ATOM 1121 OE1 GLN A 70 11.261 7.780 4.752 1.00 0.00 O ATOM 1122 NE2 GLN A 70 9.458 8.981 5.117 1.00 0.00 N ATOM 0 H GLN A 70 10.566 3.508 4.142 1.00 0.00 H new ATOM 0 HA GLN A 70 9.738 5.721 5.648 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.892 5.695 3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.379 5.185 2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.524 7.610 2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.267 7.250 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.481 9.179 4.902 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.948 9.534 5.820 1.00 0.00 H new ATOM 1131 N ILE A 71 7.307 4.030 4.189 1.00 0.00 N ATOM 1132 CA ILE A 71 5.862 3.846 4.181 1.00 0.00 C ATOM 1133 C ILE A 71 5.362 3.469 5.573 1.00 0.00 C ATOM 1134 O ILE A 71 4.349 3.986 6.043 1.00 0.00 O ATOM 1135 CB ILE A 71 5.478 2.757 3.176 1.00 0.00 C ATOM 1136 CG1 ILE A 71 5.791 3.246 1.759 1.00 0.00 C ATOM 1137 CG2 ILE A 71 3.979 2.458 3.287 1.00 0.00 C ATOM 1138 CD1 ILE A 71 5.676 2.078 0.780 1.00 0.00 C ATOM 0 H ILE A 71 7.826 3.357 3.625 1.00 0.00 H new ATOM 0 HA ILE A 71 5.395 4.786 3.886 1.00 0.00 H new ATOM 0 HB ILE A 71 6.045 1.851 3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.101 4.041 1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.795 3.668 1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.709 1.682 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.750 2.115 4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.411 3.363 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.899 2.426 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.384 1.298 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.663 1.676 0.810 1.00 0.00 H new ATOM 1150 N ALA A 72 6.075 2.555 6.223 1.00 0.00 N ATOM 1151 CA ALA A 72 5.690 2.110 7.557 1.00 0.00 C ATOM 1152 C ALA A 72 5.752 3.261 8.551 1.00 0.00 C ATOM 1153 O ALA A 72 4.838 3.450 9.352 1.00 0.00 O ATOM 1154 CB ALA A 72 6.619 0.988 8.018 1.00 0.00 C ATOM 0 H ALA A 72 6.915 2.111 5.852 1.00 0.00 H new ATOM 0 HA ALA A 72 4.665 1.743 7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.326 0.660 9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.549 0.150 7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.646 1.353 8.043 1.00 0.00 H new ATOM 1160 N LYS A 73 6.831 4.028 8.491 1.00 0.00 N ATOM 1161 CA LYS A 73 6.998 5.160 9.391 1.00 0.00 C ATOM 1162 C LYS A 73 5.893 6.186 9.174 1.00 0.00 C ATOM 1163 O LYS A 73 5.371 6.756 10.130 1.00 0.00 O ATOM 1164 CB LYS A 73 8.358 5.821 9.164 1.00 0.00 C ATOM 1165 CG LYS A 73 9.471 4.916 9.700 1.00 0.00 C ATOM 1166 CD LYS A 73 10.822 5.637 9.597 1.00 0.00 C ATOM 1167 CE LYS A 73 11.260 5.754 8.131 1.00 0.00 C ATOM 1168 NZ LYS A 73 12.702 6.124 8.077 1.00 0.00 N ATOM 0 H LYS A 73 7.599 3.889 7.834 1.00 0.00 H new ATOM 0 HA LYS A 73 6.942 4.790 10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.509 6.008 8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.390 6.788 9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.268 4.650 10.738 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.501 3.986 9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.745 6.630 10.040 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.576 5.092 10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.095 4.809 7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.660 6.506 7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.003 6.204 7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.845 7.036 8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.267 5.391 8.552 1.00 0.00 H new ATOM 1182 N ALA A 74 5.542 6.417 7.916 1.00 0.00 N ATOM 1183 CA ALA A 74 4.499 7.384 7.598 1.00 0.00 C ATOM 1184 C ALA A 74 3.192 7.002 8.289 1.00 0.00 C ATOM 1185 O ALA A 74 2.524 7.844 8.888 1.00 0.00 O ATOM 1186 CB ALA A 74 4.289 7.433 6.084 1.00 0.00 C ATOM 0 H ALA A 74 5.958 5.955 7.108 1.00 0.00 H new ATOM 0 HA ALA A 74 4.808 8.367 7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.509 8.157 5.848 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.218 7.730 5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.990 6.448 5.726 1.00 0.00 H new ATOM 1192 N LEU A 75 2.841 5.725 8.208 1.00 0.00 N ATOM 1193 CA LEU A 75 1.618 5.229 8.832 1.00 0.00 C ATOM 1194 C LEU A 75 1.706 5.331 10.350 1.00 0.00 C ATOM 1195 O LEU A 75 0.717 5.627 11.021 1.00 0.00 O ATOM 1196 CB LEU A 75 1.367 3.780 8.419 1.00 0.00 C ATOM 1197 CG LEU A 75 0.988 3.720 6.929 1.00 0.00 C ATOM 1198 CD1 LEU A 75 1.001 2.260 6.467 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -0.414 4.331 6.690 1.00 0.00 C ATOM 0 H LEU A 75 3.384 5.014 7.718 1.00 0.00 H new ATOM 0 HA LEU A 75 0.786 5.846 8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.259 3.181 8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.567 3.353 9.024 1.00 0.00 H new ATOM 0 HG LEU A 75 1.714 4.299 6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.733 2.210 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.998 1.842 6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.281 1.687 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.659 4.277 5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.156 3.774 7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.416 5.373 7.010 1.00 0.00 H new ATOM 1211 N ASN A 76 2.893 5.076 10.884 1.00 0.00 N ATOM 1212 CA ASN A 76 3.100 5.132 12.325 1.00 0.00 C ATOM 1213 C ASN A 76 2.782 6.529 12.853 1.00 0.00 C ATOM 1214 O ASN A 76 2.209 6.678 13.932 1.00 0.00 O ATOM 1215 CB ASN A 76 4.555 4.769 12.657 1.00 0.00 C ATOM 1216 CG ASN A 76 4.742 3.254 12.616 1.00 0.00 C ATOM 1217 OD1 ASN A 76 4.350 2.555 13.551 1.00 0.00 O ATOM 1218 ND2 ASN A 76 5.317 2.704 11.584 1.00 0.00 N ATOM 0 H ASN A 76 3.723 4.830 10.345 1.00 0.00 H new ATOM 0 HA ASN A 76 2.432 4.416 12.803 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.228 5.245 11.944 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.816 5.149 13.645 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.443 1.692 11.549 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.641 3.285 10.811 1.00 0.00 H new ATOM 1225 N GLU A 77 3.154 7.548 12.089 1.00 0.00 N ATOM 1226 CA GLU A 77 2.900 8.924 12.500 1.00 0.00 C ATOM 1227 C GLU A 77 1.425 9.122 12.834 1.00 0.00 C ATOM 1228 O GLU A 77 1.079 9.902 13.722 1.00 0.00 O ATOM 1229 CB GLU A 77 3.307 9.887 11.380 1.00 0.00 C ATOM 1230 CG GLU A 77 4.829 9.881 11.225 1.00 0.00 C ATOM 1231 CD GLU A 77 5.482 10.532 12.439 1.00 0.00 C ATOM 1232 OE1 GLU A 77 4.761 11.102 13.241 1.00 0.00 O ATOM 1233 OE2 GLU A 77 6.694 10.450 12.551 1.00 0.00 O ATOM 0 H GLU A 77 3.628 7.451 11.191 1.00 0.00 H new ATOM 0 HA GLU A 77 3.492 9.132 13.391 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.835 9.591 10.443 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.959 10.894 11.608 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.187 8.857 11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.112 10.417 10.319 1.00 0.00 H new ATOM 1240 N ALA A 78 0.559 8.411 12.122 1.00 0.00 N ATOM 1241 CA ALA A 78 -0.878 8.515 12.354 1.00 0.00 C ATOM 1242 C ALA A 78 -1.289 7.677 13.559 1.00 0.00 C ATOM 1243 O ALA A 78 -2.434 7.730 14.007 1.00 0.00 O ATOM 1244 CB ALA A 78 -1.641 8.046 11.114 1.00 0.00 C ATOM 0 H ALA A 78 0.824 7.760 11.383 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.121 9.558 12.555 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.713 8.126 11.294 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.369 8.669 10.262 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.386 7.008 10.901 1.00 0.00 H new ATOM 1308 N ALA A 82 1.617 0.414 12.412 1.00 0.00 N ATOM 1309 CA ALA A 82 1.903 -0.287 11.162 1.00 0.00 C ATOM 1310 C ALA A 82 3.285 -0.927 11.215 1.00 0.00 C ATOM 1311 O ALA A 82 4.202 -0.399 11.844 1.00 0.00 O ATOM 1312 CB ALA A 82 1.842 0.691 9.992 1.00 0.00 C ATOM 0 HA ALA A 82 1.155 -1.068 11.024 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.056 0.162 9.064 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.846 1.131 9.937 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.580 1.480 10.138 1.00 0.00 H new ATOM 1318 N ASN A 83 3.424 -2.069 10.551 1.00 0.00 N ATOM 1319 CA ASN A 83 4.699 -2.777 10.523 1.00 0.00 C ATOM 1320 C ASN A 83 4.760 -3.715 9.323 1.00 0.00 C ATOM 1321 O ASN A 83 3.797 -4.425 9.028 1.00 0.00 O ATOM 1322 CB ASN A 83 4.879 -3.576 11.817 1.00 0.00 C ATOM 1323 CG ASN A 83 3.642 -4.424 12.088 1.00 0.00 C ATOM 1324 OD1 ASN A 83 3.293 -5.344 11.232 1.00 0.00 O flip ATOM 1325 ND2 ASN A 83 2.970 -4.238 13.103 1.00 0.00 N flip ATOM 0 H ASN A 83 2.675 -2.522 10.028 1.00 0.00 H new ATOM 0 HA ASN A 83 5.503 -2.046 10.437 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.758 -4.216 11.739 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.053 -2.897 12.651 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.244 -3.518 13.771 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.139 -4.804 13.275 1.00 0.00 H new ATOM 1332 N VAL A 84 5.897 -3.716 8.638 1.00 0.00 N ATOM 1333 CA VAL A 84 6.072 -4.571 7.470 1.00 0.00 C ATOM 1334 C VAL A 84 5.771 -6.019 7.829 1.00 0.00 C ATOM 1335 O VAL A 84 6.003 -6.445 8.960 1.00 0.00 O ATOM 1336 CB VAL A 84 7.508 -4.461 6.952 1.00 0.00 C ATOM 1337 CG1 VAL A 84 7.701 -5.412 5.769 1.00 0.00 C ATOM 1338 CG2 VAL A 84 7.774 -3.024 6.499 1.00 0.00 C ATOM 0 H VAL A 84 6.706 -3.139 8.868 1.00 0.00 H new ATOM 0 HA VAL A 84 5.381 -4.245 6.692 1.00 0.00 H new ATOM 0 HB VAL A 84 8.203 -4.729 7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.724 -5.332 5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.509 -6.436 6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.007 -5.146 4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.796 -2.942 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.078 -2.759 5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.637 -2.346 7.341 1.00 0.00 H new