USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 417 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 28 ASN : amide:sc= -0.0519 X(o=-1,f=-1) USER MOD Set 1.2: A 48 MET CE :methyl -149:sc= -0.747 (180deg=-1.22) USER MOD Set 1.3: A 58 ASN : amide:sc= -0.202 K(o=-1,f=-7!) USER MOD Set 2.1: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 55 SER OG : rot -170:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00771 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 30 MET CE :methyl 166:sc=-0.00273 (180deg=-0.38) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 37 MET CE :methyl -166:sc= -0.502 (180deg=-1.37) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= 0.376 (180deg=0.212) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.12) USER MOD Single : A 53 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.021) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -7:sc= 0.518 USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0136) USER MOD Single : A 61 SER OG : rot 19:sc= 0.177 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 1.16 K(o=1.2,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 330 N ASP A 23 -14.114 5.706 13.323 1.00 0.00 N ATOM 331 CA ASP A 23 -14.745 4.639 14.117 1.00 0.00 C ATOM 332 C ASP A 23 -13.819 3.430 14.331 1.00 0.00 C ATOM 333 O ASP A 23 -13.861 2.797 15.386 1.00 0.00 O ATOM 334 CB ASP A 23 -16.058 4.201 13.453 1.00 0.00 C ATOM 335 CG ASP A 23 -17.092 5.338 13.408 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.635 5.709 14.477 1.00 0.00 O ATOM 337 OD2 ASP A 23 -17.367 5.864 12.301 1.00 0.00 O ATOM 0 HA ASP A 23 -14.953 5.050 15.105 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.854 3.857 12.439 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.475 3.354 13.999 1.00 0.00 H new ATOM 342 N THR A 24 -12.926 3.150 13.375 1.00 0.00 N ATOM 343 CA THR A 24 -11.903 2.091 13.418 1.00 0.00 C ATOM 344 C THR A 24 -10.987 2.168 14.649 1.00 0.00 C ATOM 345 O THR A 24 -10.536 1.127 15.125 1.00 0.00 O ATOM 346 CB THR A 24 -11.057 2.100 12.133 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.896 2.202 10.998 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.229 0.829 11.951 1.00 0.00 C ATOM 0 H THR A 24 -12.893 3.681 12.505 1.00 0.00 H new ATOM 0 HA THR A 24 -12.451 1.152 13.495 1.00 0.00 H new ATOM 0 HB THR A 24 -10.387 2.954 12.229 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.348 2.209 10.186 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.655 0.898 11.027 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.547 0.715 12.794 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.893 -0.034 11.902 1.00 0.00 H new ATOM 356 N ILE A 25 -10.771 3.360 15.228 1.00 0.00 N ATOM 357 CA ILE A 25 -10.063 3.551 16.510 1.00 0.00 C ATOM 358 C ILE A 25 -10.723 2.724 17.627 1.00 0.00 C ATOM 359 O ILE A 25 -10.037 2.058 18.405 1.00 0.00 O ATOM 360 CB ILE A 25 -10.011 5.056 16.888 1.00 0.00 C ATOM 361 CG1 ILE A 25 -9.150 5.871 15.889 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.473 5.233 18.321 1.00 0.00 C ATOM 363 CD1 ILE A 25 -9.363 7.389 15.967 1.00 0.00 C ATOM 0 H ILE A 25 -11.088 4.236 14.813 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.039 3.197 16.391 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.030 5.441 16.839 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.098 5.653 16.072 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.374 5.536 14.876 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.443 6.294 18.570 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.127 4.714 19.022 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.468 4.816 18.386 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.724 7.884 15.236 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.406 7.621 15.753 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.111 7.741 16.967 1.00 0.00 H new ATOM 375 N PHE A 26 -12.056 2.767 17.707 1.00 0.00 N ATOM 376 CA PHE A 26 -12.863 2.033 18.684 1.00 0.00 C ATOM 377 C PHE A 26 -13.142 0.589 18.223 1.00 0.00 C ATOM 378 O PHE A 26 -13.064 -0.344 19.023 1.00 0.00 O ATOM 379 CB PHE A 26 -14.176 2.803 18.943 1.00 0.00 C ATOM 380 CG PHE A 26 -14.543 2.994 20.408 1.00 0.00 C ATOM 381 CD1 PHE A 26 -14.496 1.915 21.316 1.00 0.00 C ATOM 382 CD2 PHE A 26 -14.948 4.264 20.869 1.00 0.00 C ATOM 383 CE1 PHE A 26 -14.830 2.110 22.669 1.00 0.00 C ATOM 384 CE2 PHE A 26 -15.289 4.456 22.220 1.00 0.00 C ATOM 385 CZ PHE A 26 -15.226 3.380 23.122 1.00 0.00 C ATOM 0 H PHE A 26 -12.621 3.332 17.073 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.302 1.959 19.616 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.101 3.784 18.474 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.991 2.275 18.448 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.202 0.935 20.971 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.997 5.094 20.180 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -14.782 1.282 23.361 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.600 5.431 22.565 1.00 0.00 H new ATOM 0 HZ PHE A 26 -15.481 3.529 24.161 1.00 0.00 H new ATOM 395 N GLN A 27 -13.457 0.392 16.935 1.00 0.00 N ATOM 396 CA GLN A 27 -13.837 -0.912 16.367 1.00 0.00 C ATOM 397 C GLN A 27 -12.682 -1.933 16.340 1.00 0.00 C ATOM 398 O GLN A 27 -12.944 -3.139 16.340 1.00 0.00 O ATOM 399 CB GLN A 27 -14.396 -0.747 14.940 1.00 0.00 C ATOM 400 CG GLN A 27 -15.606 0.204 14.816 1.00 0.00 C ATOM 401 CD GLN A 27 -16.853 -0.451 14.220 1.00 0.00 C ATOM 402 OE1 GLN A 27 -17.296 -1.518 14.627 1.00 0.00 O ATOM 403 NE2 GLN A 27 -17.484 0.165 13.239 1.00 0.00 N ATOM 0 H GLN A 27 -13.455 1.145 16.247 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.606 -1.306 17.032 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.598 -0.381 14.294 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.685 -1.728 14.564 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.850 0.595 15.804 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.324 1.055 14.197 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.132 1.055 12.885 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.324 -0.248 12.834 1.00 0.00 H new ATOM 412 N ASN A 28 -11.419 -1.483 16.315 1.00 0.00 N ATOM 413 CA ASN A 28 -10.235 -2.337 16.184 1.00 0.00 C ATOM 414 C ASN A 28 -9.138 -1.979 17.221 1.00 0.00 C ATOM 415 O ASN A 28 -8.439 -0.976 17.051 1.00 0.00 O ATOM 416 CB ASN A 28 -9.737 -2.267 14.729 1.00 0.00 C ATOM 417 CG ASN A 28 -8.799 -3.421 14.426 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.156 -4.585 14.520 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.567 -3.148 14.082 1.00 0.00 N ATOM 0 H ASN A 28 -11.190 -0.492 16.387 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.503 -3.369 16.409 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.587 -2.294 14.047 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.223 -1.321 14.561 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.910 -3.905 13.894 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.263 -2.178 14.002 1.00 0.00 H new ATOM 426 N PRO A 29 -8.948 -2.774 18.297 1.00 0.00 N ATOM 427 CA PRO A 29 -8.096 -2.406 19.439 1.00 0.00 C ATOM 428 C PRO A 29 -6.590 -2.348 19.128 1.00 0.00 C ATOM 429 O PRO A 29 -5.824 -1.771 19.903 1.00 0.00 O ATOM 430 CB PRO A 29 -8.406 -3.442 20.525 1.00 0.00 C ATOM 431 CG PRO A 29 -8.832 -4.673 19.729 1.00 0.00 C ATOM 432 CD PRO A 29 -9.575 -4.067 18.541 1.00 0.00 C ATOM 0 HA PRO A 29 -8.323 -1.386 19.749 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.534 -3.647 21.145 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.198 -3.101 21.191 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.974 -5.265 19.410 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.474 -5.331 20.315 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.500 -4.710 17.664 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.636 -3.951 18.761 1.00 0.00 H new ATOM 440 N MET A 30 -6.154 -2.879 17.978 1.00 0.00 N ATOM 441 CA MET A 30 -4.775 -2.760 17.481 1.00 0.00 C ATOM 442 C MET A 30 -4.346 -1.297 17.278 1.00 0.00 C ATOM 443 O MET A 30 -3.153 -0.999 17.346 1.00 0.00 O ATOM 444 CB MET A 30 -4.620 -3.518 16.154 1.00 0.00 C ATOM 445 CG MET A 30 -4.932 -5.018 16.252 1.00 0.00 C ATOM 446 SD MET A 30 -5.100 -5.873 14.658 1.00 0.00 S ATOM 447 CE MET A 30 -3.496 -5.521 13.887 1.00 0.00 C ATOM 0 H MET A 30 -6.760 -3.413 17.355 1.00 0.00 H new ATOM 0 HA MET A 30 -4.129 -3.196 18.243 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.279 -3.068 15.411 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.599 -3.392 15.793 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.141 -5.502 16.825 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.857 -5.145 16.815 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.354 -6.176 13.027 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.470 -4.481 13.560 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.699 -5.694 14.610 1.00 0.00 H new ATOM 457 N VAL A 31 -5.300 -0.375 17.072 1.00 0.00 N ATOM 458 CA VAL A 31 -5.025 1.067 16.997 1.00 0.00 C ATOM 459 C VAL A 31 -4.386 1.577 18.289 1.00 0.00 C ATOM 460 O VAL A 31 -3.264 2.072 18.253 1.00 0.00 O ATOM 461 CB VAL A 31 -6.275 1.886 16.606 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.983 3.392 16.647 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.748 1.507 15.193 1.00 0.00 C ATOM 0 H VAL A 31 -6.285 -0.610 16.953 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.303 1.213 16.194 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.057 1.655 17.329 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.880 3.944 16.367 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.681 3.677 17.655 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.180 3.626 15.948 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.629 2.094 14.935 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.953 1.712 14.476 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.998 0.446 15.165 1.00 0.00 H new ATOM 473 N GLN A 32 -5.053 1.416 19.436 1.00 0.00 N ATOM 474 CA GLN A 32 -4.563 1.863 20.751 1.00 0.00 C ATOM 475 C GLN A 32 -3.127 1.379 21.035 1.00 0.00 C ATOM 476 O GLN A 32 -2.268 2.158 21.454 1.00 0.00 O ATOM 477 CB GLN A 32 -5.522 1.362 21.848 1.00 0.00 C ATOM 478 CG GLN A 32 -6.929 1.988 21.795 1.00 0.00 C ATOM 479 CD GLN A 32 -6.977 3.468 22.188 1.00 0.00 C ATOM 480 OE1 GLN A 32 -6.146 3.993 22.918 1.00 0.00 O ATOM 481 NE2 GLN A 32 -7.966 4.204 21.726 1.00 0.00 N ATOM 0 H GLN A 32 -5.966 0.963 19.481 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.536 2.953 20.747 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.616 0.279 21.765 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.081 1.570 22.823 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.324 1.880 20.785 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.588 1.427 22.457 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.670 3.788 21.116 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.028 5.190 21.978 1.00 0.00 H new ATOM 490 N GLU A 33 -2.849 0.103 20.751 1.00 0.00 N ATOM 491 CA GLU A 33 -1.528 -0.522 20.892 1.00 0.00 C ATOM 492 C GLU A 33 -0.447 0.106 19.988 1.00 0.00 C ATOM 493 O GLU A 33 0.701 0.237 20.413 1.00 0.00 O ATOM 494 CB GLU A 33 -1.681 -2.030 20.629 1.00 0.00 C ATOM 495 CG GLU A 33 -0.381 -2.849 20.701 1.00 0.00 C ATOM 496 CD GLU A 33 0.362 -2.760 22.053 1.00 0.00 C ATOM 497 OE1 GLU A 33 -0.276 -2.520 23.108 1.00 0.00 O ATOM 498 OE2 GLU A 33 1.598 -2.974 22.074 1.00 0.00 O ATOM 0 H GLU A 33 -3.558 -0.544 20.406 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.173 -0.346 21.907 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.387 -2.438 21.352 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.122 -2.166 19.641 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.614 -3.894 20.498 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.289 -2.512 19.910 1.00 0.00 H new ATOM 505 N ALA A 34 -0.788 0.534 18.767 1.00 0.00 N ATOM 506 CA ALA A 34 0.137 1.251 17.889 1.00 0.00 C ATOM 507 C ALA A 34 0.531 2.626 18.471 1.00 0.00 C ATOM 508 O ALA A 34 1.721 2.874 18.666 1.00 0.00 O ATOM 509 CB ALA A 34 -0.457 1.340 16.479 1.00 0.00 C ATOM 0 H ALA A 34 -1.713 0.392 18.362 1.00 0.00 H new ATOM 0 HA ALA A 34 1.070 0.692 17.819 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.233 1.874 15.826 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.621 0.335 16.089 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.407 1.874 16.517 1.00 0.00 H new ATOM 515 N ILE A 35 -0.428 3.501 18.819 1.00 0.00 N ATOM 516 CA ILE A 35 -0.119 4.798 19.467 1.00 0.00 C ATOM 517 C ILE A 35 0.735 4.612 20.732 1.00 0.00 C ATOM 518 O ILE A 35 1.683 5.370 20.948 1.00 0.00 O ATOM 519 CB ILE A 35 -1.390 5.636 19.764 1.00 0.00 C ATOM 520 CG1 ILE A 35 -2.046 6.158 18.463 1.00 0.00 C ATOM 521 CG2 ILE A 35 -1.080 6.859 20.651 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.255 5.322 18.048 1.00 0.00 C ATOM 0 H ILE A 35 -1.423 3.339 18.665 1.00 0.00 H new ATOM 0 HA ILE A 35 0.470 5.366 18.747 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.071 4.963 20.285 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.355 7.194 18.605 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.310 6.152 17.659 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.998 7.418 20.834 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.664 6.523 21.601 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.359 7.502 20.146 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.680 5.728 17.130 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.944 4.291 17.879 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.005 5.349 18.838 1.00 0.00 H new ATOM 534 N ARG A 36 0.461 3.578 21.542 1.00 0.00 N ATOM 535 CA ARG A 36 1.215 3.250 22.766 1.00 0.00 C ATOM 536 C ARG A 36 2.727 3.056 22.543 1.00 0.00 C ATOM 537 O ARG A 36 3.507 3.379 23.440 1.00 0.00 O ATOM 538 CB ARG A 36 0.560 2.025 23.427 1.00 0.00 C ATOM 539 CG ARG A 36 1.148 1.672 24.799 1.00 0.00 C ATOM 540 CD ARG A 36 0.428 0.452 25.377 1.00 0.00 C ATOM 541 NE ARG A 36 1.057 0.002 26.633 1.00 0.00 N ATOM 542 CZ ARG A 36 0.845 -1.143 27.257 1.00 0.00 C ATOM 543 NH1 ARG A 36 0.007 -2.032 26.804 1.00 0.00 N ATOM 544 NH2 ARG A 36 1.481 -1.418 28.361 1.00 0.00 N ATOM 0 H ARG A 36 -0.307 2.931 21.362 1.00 0.00 H new ATOM 0 HA ARG A 36 1.161 4.109 23.435 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.508 2.211 23.537 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.667 1.166 22.765 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.214 1.465 24.705 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.046 2.520 25.477 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.618 0.698 25.560 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.443 -0.360 24.650 1.00 0.00 H new ATOM 0 HE ARG A 36 1.725 0.641 27.064 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.509 -1.854 25.942 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.133 -2.906 27.311 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.146 -0.748 28.747 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.314 -2.303 28.839 1.00 0.00 H new ATOM 558 N MET A 37 3.164 2.595 21.364 1.00 0.00 N ATOM 559 CA MET A 37 4.595 2.487 21.017 1.00 0.00 C ATOM 560 C MET A 37 5.269 3.829 20.654 1.00 0.00 C ATOM 561 O MET A 37 6.492 3.874 20.492 1.00 0.00 O ATOM 562 CB MET A 37 4.816 1.489 19.869 1.00 0.00 C ATOM 563 CG MET A 37 4.318 0.071 20.179 1.00 0.00 C ATOM 564 SD MET A 37 5.298 -1.271 19.437 1.00 0.00 S ATOM 565 CE MET A 37 5.515 -0.655 17.744 1.00 0.00 C ATOM 0 H MET A 37 2.538 2.285 20.620 1.00 0.00 H new ATOM 0 HA MET A 37 5.071 2.129 21.930 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.308 1.856 18.977 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.880 1.448 19.635 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.305 -0.065 21.260 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.288 -0.019 19.834 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.873 -1.463 17.106 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.561 -0.289 17.365 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.242 0.157 17.743 1.00 0.00 H new ATOM 575 N GLY A 38 4.504 4.919 20.519 1.00 0.00 N ATOM 576 CA GLY A 38 4.984 6.273 20.203 1.00 0.00 C ATOM 577 C GLY A 38 4.506 6.838 18.856 1.00 0.00 C ATOM 578 O GLY A 38 4.851 7.975 18.522 1.00 0.00 O ATOM 0 H GLY A 38 3.491 4.882 20.631 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.665 6.949 20.996 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.074 6.266 20.210 1.00 0.00 H new ATOM 582 N PHE A 39 3.725 6.079 18.075 1.00 0.00 N ATOM 583 CA PHE A 39 3.082 6.566 16.846 1.00 0.00 C ATOM 584 C PHE A 39 1.983 7.620 17.124 1.00 0.00 C ATOM 585 O PHE A 39 1.499 7.767 18.249 1.00 0.00 O ATOM 586 CB PHE A 39 2.492 5.379 16.071 1.00 0.00 C ATOM 587 CG PHE A 39 3.494 4.440 15.418 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.147 4.830 14.234 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.733 3.155 15.944 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.036 3.949 13.590 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.607 2.268 15.292 1.00 0.00 C ATOM 592 CZ PHE A 39 5.257 2.664 14.113 1.00 0.00 C ATOM 0 H PHE A 39 3.520 5.101 18.280 1.00 0.00 H new ATOM 0 HA PHE A 39 3.849 7.060 16.250 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.872 4.798 16.754 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.833 5.769 15.296 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.965 5.810 13.818 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.241 2.849 16.855 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.549 4.261 12.692 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.778 1.282 15.698 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.926 1.982 13.609 1.00 0.00 H new ATOM 602 N SER A 40 1.555 8.337 16.079 1.00 0.00 N ATOM 603 CA SER A 40 0.521 9.387 16.128 1.00 0.00 C ATOM 604 C SER A 40 -0.864 8.841 15.757 1.00 0.00 C ATOM 605 O SER A 40 -0.985 8.098 14.785 1.00 0.00 O ATOM 606 CB SER A 40 0.883 10.498 15.132 1.00 0.00 C ATOM 607 OG SER A 40 2.184 11.018 15.381 1.00 0.00 O ATOM 0 H SER A 40 1.930 8.200 15.140 1.00 0.00 H new ATOM 0 HA SER A 40 0.483 9.768 17.149 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.835 10.107 14.116 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.150 11.302 15.199 1.00 0.00 H new ATOM 0 HG SER A 40 2.385 11.722 14.729 1.00 0.00 H new ATOM 613 N PHE A 41 -1.926 9.252 16.465 1.00 0.00 N ATOM 614 CA PHE A 41 -3.315 8.820 16.200 1.00 0.00 C ATOM 615 C PHE A 41 -3.731 8.981 14.730 1.00 0.00 C ATOM 616 O PHE A 41 -4.242 8.032 14.129 1.00 0.00 O ATOM 617 CB PHE A 41 -4.301 9.550 17.135 1.00 0.00 C ATOM 618 CG PHE A 41 -4.783 8.713 18.306 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.743 7.705 18.092 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.273 8.927 19.602 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.173 6.903 19.165 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.709 8.125 20.674 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.653 7.108 20.454 1.00 0.00 C ATOM 0 H PHE A 41 -1.849 9.901 17.248 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.351 7.751 16.411 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.821 10.450 17.519 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.165 9.873 16.553 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.149 7.548 17.104 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.546 9.707 19.773 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.905 6.127 18.997 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.317 8.292 21.667 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.978 6.485 21.274 1.00 0.00 H new ATOM 633 N LYS A 42 -3.462 10.158 14.148 1.00 0.00 N ATOM 634 CA LYS A 42 -3.691 10.506 12.733 1.00 0.00 C ATOM 635 C LYS A 42 -3.060 9.502 11.764 1.00 0.00 C ATOM 636 O LYS A 42 -3.703 9.099 10.799 1.00 0.00 O ATOM 637 CB LYS A 42 -3.210 11.952 12.506 1.00 0.00 C ATOM 638 CG LYS A 42 -3.284 12.448 11.049 1.00 0.00 C ATOM 639 CD LYS A 42 -1.940 12.318 10.313 1.00 0.00 C ATOM 640 CE LYS A 42 -1.935 13.076 8.980 1.00 0.00 C ATOM 641 NZ LYS A 42 -2.736 12.392 7.931 1.00 0.00 N ATOM 0 H LYS A 42 -3.059 10.933 14.674 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.758 10.449 12.516 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.806 12.618 13.130 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.178 12.032 12.848 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.044 11.879 10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.600 13.491 11.039 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.141 12.699 10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.728 11.265 10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.329 14.080 9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.908 13.187 8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.700 12.945 7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.346 11.443 7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.723 12.309 8.247 1.00 0.00 H new ATOM 655 N ASP A 43 -1.826 9.076 12.020 1.00 0.00 N ATOM 656 CA ASP A 43 -1.109 8.096 11.195 1.00 0.00 C ATOM 657 C ASP A 43 -1.783 6.719 11.257 1.00 0.00 C ATOM 658 O ASP A 43 -1.969 6.082 10.218 1.00 0.00 O ATOM 659 CB ASP A 43 0.362 7.982 11.626 1.00 0.00 C ATOM 660 CG ASP A 43 1.209 9.217 11.275 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.790 10.362 11.556 1.00 0.00 O ATOM 662 OD2 ASP A 43 2.331 9.027 10.748 1.00 0.00 O ATOM 0 H ASP A 43 -1.283 9.405 12.819 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.143 8.451 10.165 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.404 7.818 12.703 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.803 7.104 11.153 1.00 0.00 H new ATOM 667 N ILE A 44 -2.187 6.266 12.453 1.00 0.00 N ATOM 668 CA ILE A 44 -2.836 4.958 12.614 1.00 0.00 C ATOM 669 C ILE A 44 -4.201 4.924 11.924 1.00 0.00 C ATOM 670 O ILE A 44 -4.463 4.021 11.130 1.00 0.00 O ATOM 671 CB ILE A 44 -2.972 4.508 14.083 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.730 4.746 14.964 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.309 3.005 14.080 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.414 4.303 14.338 1.00 0.00 C ATOM 0 H ILE A 44 -2.075 6.787 13.323 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.169 4.245 12.129 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.755 5.122 14.527 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.666 5.808 15.199 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.864 4.218 15.908 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.412 2.653 15.106 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.245 2.843 13.545 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.509 2.454 13.586 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.404 4.509 15.028 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.452 3.234 14.129 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.251 4.849 13.409 1.00 0.00 H new ATOM 686 N LYS A 45 -5.074 5.907 12.182 1.00 0.00 N ATOM 687 CA LYS A 45 -6.382 5.976 11.505 1.00 0.00 C ATOM 688 C LYS A 45 -6.241 6.096 9.985 1.00 0.00 C ATOM 689 O LYS A 45 -6.965 5.407 9.269 1.00 0.00 O ATOM 690 CB LYS A 45 -7.306 7.027 12.148 1.00 0.00 C ATOM 691 CG LYS A 45 -6.846 8.497 12.108 1.00 0.00 C ATOM 692 CD LYS A 45 -7.237 9.329 10.875 1.00 0.00 C ATOM 693 CE LYS A 45 -8.758 9.405 10.715 1.00 0.00 C ATOM 694 NZ LYS A 45 -9.167 10.290 9.599 1.00 0.00 N ATOM 0 H LYS A 45 -4.903 6.661 12.848 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.888 5.023 11.660 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.278 6.965 11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.456 6.750 13.191 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.242 8.998 12.991 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.759 8.512 12.193 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.828 10.335 10.968 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.797 8.887 9.981 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.153 8.404 10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.200 9.768 11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.157 10.580 9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.558 11.133 9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.073 9.779 8.698 1.00 0.00 H new ATOM 708 N LYS A 46 -5.260 6.868 9.490 1.00 0.00 N ATOM 709 CA LYS A 46 -4.956 6.998 8.054 1.00 0.00 C ATOM 710 C LYS A 46 -4.532 5.667 7.430 1.00 0.00 C ATOM 711 O LYS A 46 -5.065 5.297 6.384 1.00 0.00 O ATOM 712 CB LYS A 46 -3.912 8.109 7.822 1.00 0.00 C ATOM 713 CG LYS A 46 -3.529 8.322 6.344 1.00 0.00 C ATOM 714 CD LYS A 46 -4.699 8.782 5.446 1.00 0.00 C ATOM 715 CE LYS A 46 -4.848 7.905 4.195 1.00 0.00 C ATOM 716 NZ LYS A 46 -3.774 8.155 3.199 1.00 0.00 N ATOM 0 H LYS A 46 -4.647 7.427 10.083 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.874 7.290 7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.300 9.045 8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.012 7.869 8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.732 9.063 6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.126 7.390 5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.626 8.756 6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.539 9.817 5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.833 6.855 4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.818 8.094 3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.847 7.461 2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.876 9.115 2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.846 8.065 3.659 1.00 0.00 H new ATOM 730 N ILE A 47 -3.589 4.944 8.039 1.00 0.00 N ATOM 731 CA ILE A 47 -3.142 3.657 7.490 1.00 0.00 C ATOM 732 C ILE A 47 -4.237 2.584 7.570 1.00 0.00 C ATOM 733 O ILE A 47 -4.403 1.822 6.622 1.00 0.00 O ATOM 734 CB ILE A 47 -1.793 3.205 8.092 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.061 2.353 7.040 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.920 2.462 9.435 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.374 2.001 7.431 1.00 0.00 C ATOM 0 H ILE A 47 -3.123 5.222 8.903 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.954 3.807 6.427 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.216 4.098 8.334 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.621 1.432 6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.049 2.891 6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.929 2.179 9.789 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.395 3.114 10.168 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.526 1.566 9.299 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.829 1.400 6.644 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.949 2.917 7.566 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.369 1.435 8.362 1.00 0.00 H new ATOM 749 N MET A 48 -5.030 2.559 8.648 1.00 0.00 N ATOM 750 CA MET A 48 -6.182 1.667 8.813 1.00 0.00 C ATOM 751 C MET A 48 -7.253 1.903 7.738 1.00 0.00 C ATOM 752 O MET A 48 -7.615 0.965 7.028 1.00 0.00 O ATOM 753 CB MET A 48 -6.778 1.827 10.219 1.00 0.00 C ATOM 754 CG MET A 48 -5.911 1.163 11.297 1.00 0.00 C ATOM 755 SD MET A 48 -6.643 -0.346 11.987 1.00 0.00 S ATOM 756 CE MET A 48 -5.158 -1.132 12.655 1.00 0.00 C ATOM 0 H MET A 48 -4.884 3.174 9.449 1.00 0.00 H new ATOM 0 HA MET A 48 -5.828 0.643 8.691 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.888 2.887 10.446 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.777 1.391 10.240 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.937 0.923 10.871 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.739 1.876 12.104 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.269 -2.215 12.612 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.291 -0.832 12.066 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.017 -0.823 13.691 1.00 0.00 H new ATOM 766 N GLU A 49 -7.757 3.136 7.592 1.00 0.00 N ATOM 767 CA GLU A 49 -8.783 3.453 6.587 1.00 0.00 C ATOM 768 C GLU A 49 -8.300 3.165 5.154 1.00 0.00 C ATOM 769 O GLU A 49 -9.047 2.592 4.361 1.00 0.00 O ATOM 770 CB GLU A 49 -9.341 4.885 6.760 1.00 0.00 C ATOM 771 CG GLU A 49 -8.418 6.034 6.323 1.00 0.00 C ATOM 772 CD GLU A 49 -9.021 7.424 6.637 1.00 0.00 C ATOM 773 OE1 GLU A 49 -9.942 7.859 5.902 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.564 8.113 7.585 1.00 0.00 O ATOM 0 H GLU A 49 -7.470 3.934 8.159 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.621 2.779 6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.271 4.960 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.593 5.029 7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.456 5.936 6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.227 5.957 5.253 1.00 0.00 H new ATOM 781 N GLU A 50 -7.041 3.483 4.828 1.00 0.00 N ATOM 782 CA GLU A 50 -6.440 3.182 3.524 1.00 0.00 C ATOM 783 C GLU A 50 -6.277 1.673 3.282 1.00 0.00 C ATOM 784 O GLU A 50 -6.709 1.177 2.241 1.00 0.00 O ATOM 785 CB GLU A 50 -5.111 3.937 3.385 1.00 0.00 C ATOM 786 CG GLU A 50 -4.511 3.819 1.979 1.00 0.00 C ATOM 787 CD GLU A 50 -3.399 4.864 1.777 1.00 0.00 C ATOM 788 OE1 GLU A 50 -3.721 6.029 1.432 1.00 0.00 O ATOM 789 OE2 GLU A 50 -2.202 4.546 1.981 1.00 0.00 O ATOM 0 H GLU A 50 -6.406 3.960 5.468 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.122 3.527 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.269 4.989 3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.399 3.549 4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.107 2.817 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.291 3.961 1.231 1.00 0.00 H new ATOM 796 N LYS A 51 -5.717 0.920 4.241 1.00 0.00 N ATOM 797 CA LYS A 51 -5.584 -0.548 4.178 1.00 0.00 C ATOM 798 C LYS A 51 -6.929 -1.217 3.905 1.00 0.00 C ATOM 799 O LYS A 51 -7.031 -2.002 2.966 1.00 0.00 O ATOM 800 CB LYS A 51 -4.936 -1.074 5.473 1.00 0.00 C ATOM 801 CG LYS A 51 -4.786 -2.604 5.554 1.00 0.00 C ATOM 802 CD LYS A 51 -3.894 -3.190 4.450 1.00 0.00 C ATOM 803 CE LYS A 51 -3.530 -4.641 4.793 1.00 0.00 C ATOM 804 NZ LYS A 51 -2.878 -5.329 3.647 1.00 0.00 N ATOM 0 H LYS A 51 -5.336 1.319 5.099 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.932 -0.803 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.950 -0.622 5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.532 -0.738 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.370 -2.870 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.773 -3.062 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.413 -3.152 3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.988 -2.593 4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.862 -4.655 5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.430 -5.184 5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.646 -6.307 3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.525 -5.337 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.006 -4.825 3.390 1.00 0.00 H new ATOM 818 N ILE A 52 -7.960 -0.892 4.686 1.00 0.00 N ATOM 819 CA ILE A 52 -9.310 -1.453 4.523 1.00 0.00 C ATOM 820 C ILE A 52 -9.911 -1.071 3.159 1.00 0.00 C ATOM 821 O ILE A 52 -10.431 -1.943 2.466 1.00 0.00 O ATOM 822 CB ILE A 52 -10.215 -1.046 5.708 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.683 -1.634 7.037 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.654 -1.560 5.492 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.263 -0.956 8.288 1.00 0.00 C ATOM 0 H ILE A 52 -7.885 -0.228 5.456 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.239 -2.541 4.534 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.211 0.043 5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.914 -2.699 7.071 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.597 -1.543 7.056 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.277 -1.264 6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.059 -1.133 4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.644 -2.647 5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.845 -1.421 9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.010 0.104 8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.347 -1.070 8.294 1.00 0.00 H new ATOM 837 N GLN A 53 -9.814 0.197 2.736 1.00 0.00 N ATOM 838 CA GLN A 53 -10.335 0.669 1.444 1.00 0.00 C ATOM 839 C GLN A 53 -9.671 -0.033 0.239 1.00 0.00 C ATOM 840 O GLN A 53 -10.366 -0.466 -0.682 1.00 0.00 O ATOM 841 CB GLN A 53 -10.176 2.202 1.375 1.00 0.00 C ATOM 842 CG GLN A 53 -10.811 2.866 0.142 1.00 0.00 C ATOM 843 CD GLN A 53 -12.334 2.726 0.104 1.00 0.00 C ATOM 844 OE1 GLN A 53 -12.894 1.844 -0.533 1.00 0.00 O ATOM 845 NE2 GLN A 53 -13.070 3.583 0.782 1.00 0.00 N ATOM 0 H GLN A 53 -9.368 0.931 3.286 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.392 0.409 1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.616 2.639 2.271 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.113 2.443 1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.549 3.924 0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.389 2.423 -0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.623 4.326 1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.087 3.504 0.769 1.00 0.00 H new ATOM 854 N ILE A 54 -8.339 -0.154 0.233 1.00 0.00 N ATOM 855 CA ILE A 54 -7.557 -0.767 -0.856 1.00 0.00 C ATOM 856 C ILE A 54 -7.642 -2.307 -0.835 1.00 0.00 C ATOM 857 O ILE A 54 -7.936 -2.922 -1.863 1.00 0.00 O ATOM 858 CB ILE A 54 -6.092 -0.261 -0.800 1.00 0.00 C ATOM 859 CG1 ILE A 54 -5.985 1.273 -1.003 1.00 0.00 C ATOM 860 CG2 ILE A 54 -5.179 -0.976 -1.814 1.00 0.00 C ATOM 861 CD1 ILE A 54 -6.460 1.825 -2.359 1.00 0.00 C ATOM 0 H ILE A 54 -7.757 0.178 1.002 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.990 -0.458 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.747 -0.503 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.560 1.761 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.944 1.563 -0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.166 -0.583 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.171 -2.046 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.553 -0.806 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.334 2.908 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.871 1.379 -3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.512 1.580 -2.503 1.00 0.00 H new ATOM 873 N SER A 55 -7.373 -2.941 0.312 1.00 0.00 N ATOM 874 CA SER A 55 -7.238 -4.404 0.464 1.00 0.00 C ATOM 875 C SER A 55 -8.575 -5.135 0.677 1.00 0.00 C ATOM 876 O SER A 55 -8.738 -6.270 0.224 1.00 0.00 O ATOM 877 CB SER A 55 -6.306 -4.692 1.651 1.00 0.00 C ATOM 878 OG SER A 55 -5.772 -6.006 1.625 1.00 0.00 O ATOM 0 H SER A 55 -7.238 -2.440 1.190 1.00 0.00 H new ATOM 0 HA SER A 55 -6.828 -4.784 -0.472 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.488 -3.972 1.647 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.855 -4.546 2.581 1.00 0.00 H new ATOM 0 HG SER A 55 -5.318 -6.191 2.473 1.00 0.00 H new ATOM 884 N GLY A 56 -9.531 -4.501 1.365 1.00 0.00 N ATOM 885 CA GLY A 56 -10.875 -5.020 1.674 1.00 0.00 C ATOM 886 C GLY A 56 -11.098 -5.431 3.141 1.00 0.00 C ATOM 887 O GLY A 56 -12.249 -5.507 3.580 1.00 0.00 O ATOM 0 H GLY A 56 -9.384 -3.565 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.610 -4.259 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.068 -5.884 1.038 1.00 0.00 H new ATOM 891 N SER A 57 -10.024 -5.653 3.911 1.00 0.00 N ATOM 892 CA SER A 57 -10.042 -6.052 5.333 1.00 0.00 C ATOM 893 C SER A 57 -8.950 -5.341 6.147 1.00 0.00 C ATOM 894 O SER A 57 -8.020 -4.755 5.588 1.00 0.00 O ATOM 895 CB SER A 57 -9.866 -7.576 5.468 1.00 0.00 C ATOM 896 OG SER A 57 -10.949 -8.277 4.870 1.00 0.00 O ATOM 0 H SER A 57 -9.076 -5.556 3.548 1.00 0.00 H new ATOM 0 HA SER A 57 -11.011 -5.755 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.930 -7.879 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.795 -7.844 6.522 1.00 0.00 H new ATOM 0 HG SER A 57 -10.809 -9.242 4.970 1.00 0.00 H new ATOM 902 N ASN A 58 -9.057 -5.392 7.480 1.00 0.00 N ATOM 903 CA ASN A 58 -8.098 -4.790 8.417 1.00 0.00 C ATOM 904 C ASN A 58 -6.776 -5.601 8.516 1.00 0.00 C ATOM 905 O ASN A 58 -6.671 -6.722 8.008 1.00 0.00 O ATOM 906 CB ASN A 58 -8.815 -4.618 9.778 1.00 0.00 C ATOM 907 CG ASN A 58 -8.306 -3.430 10.580 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.120 -3.157 10.653 1.00 0.00 O ATOM 909 ND2 ASN A 58 -9.175 -2.653 11.180 1.00 0.00 N ATOM 0 H ASN A 58 -9.830 -5.864 7.949 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.782 -3.812 8.053 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.885 -4.499 9.605 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.686 -5.527 10.366 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.855 -1.835 11.698 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.171 -2.867 11.129 1.00 0.00 H new ATOM 916 N TYR A 59 -5.765 -5.041 9.186 1.00 0.00 N ATOM 917 CA TYR A 59 -4.473 -5.666 9.486 1.00 0.00 C ATOM 918 C TYR A 59 -4.600 -6.960 10.314 1.00 0.00 C ATOM 919 O TYR A 59 -5.488 -7.101 11.161 1.00 0.00 O ATOM 920 CB TYR A 59 -3.575 -4.637 10.200 1.00 0.00 C ATOM 921 CG TYR A 59 -2.920 -3.659 9.244 1.00 0.00 C ATOM 922 CD1 TYR A 59 -1.864 -4.116 8.436 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.368 -2.327 9.130 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.266 -3.257 7.500 1.00 0.00 C ATOM 925 CE2 TYR A 59 -2.755 -1.455 8.206 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.712 -1.926 7.377 1.00 0.00 C ATOM 927 OH TYR A 59 -1.166 -1.123 6.428 1.00 0.00 O ATOM 0 H TYR A 59 -5.828 -4.091 9.553 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.021 -5.968 8.541 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.171 -4.084 10.925 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.802 -5.164 10.759 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.511 -5.132 8.536 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.180 -1.975 9.749 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.463 -3.617 6.874 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.082 -0.428 8.132 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.414 -1.585 6.002 1.00 0.00 H new ATOM 937 N LYS A 60 -3.683 -7.907 10.070 1.00 0.00 N ATOM 938 CA LYS A 60 -3.664 -9.260 10.662 1.00 0.00 C ATOM 939 C LYS A 60 -3.165 -9.280 12.111 1.00 0.00 C ATOM 940 O LYS A 60 -3.793 -9.887 12.979 1.00 0.00 O ATOM 941 CB LYS A 60 -2.791 -10.190 9.794 1.00 0.00 C ATOM 942 CG LYS A 60 -3.251 -10.339 8.333 1.00 0.00 C ATOM 943 CD LYS A 60 -4.655 -10.952 8.199 1.00 0.00 C ATOM 944 CE LYS A 60 -5.092 -11.116 6.736 1.00 0.00 C ATOM 945 NZ LYS A 60 -4.278 -12.124 6.003 1.00 0.00 N ATOM 0 H LYS A 60 -2.903 -7.750 9.432 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.695 -9.612 10.683 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.768 -9.813 9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.770 -11.178 10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.242 -9.360 7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.537 -10.963 7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.671 -11.925 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.374 -10.320 8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.141 -11.410 6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.016 -10.155 6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.657 -12.244 5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.291 -11.800 5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.316 -13.033 6.506 1.00 0.00 H new ATOM 959 N SER A 61 -2.018 -8.649 12.356 1.00 0.00 N ATOM 960 CA SER A 61 -1.324 -8.524 13.647 1.00 0.00 C ATOM 961 C SER A 61 -0.475 -7.250 13.671 1.00 0.00 C ATOM 962 O SER A 61 -0.240 -6.632 12.627 1.00 0.00 O ATOM 963 CB SER A 61 -0.416 -9.745 13.882 1.00 0.00 C ATOM 964 OG SER A 61 -1.175 -10.879 14.271 1.00 0.00 O ATOM 0 H SER A 61 -1.509 -8.177 11.609 1.00 0.00 H new ATOM 0 HA SER A 61 -2.073 -8.473 14.437 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.139 -9.970 12.971 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.318 -9.513 14.653 1.00 0.00 H new ATOM 0 HG SER A 61 -2.114 -10.745 14.023 1.00 0.00 H new ATOM 970 N LEU A 62 0.011 -6.862 14.855 1.00 0.00 N ATOM 971 CA LEU A 62 0.799 -5.639 15.045 1.00 0.00 C ATOM 972 C LEU A 62 2.069 -5.621 14.184 1.00 0.00 C ATOM 973 O LEU A 62 2.420 -4.558 13.689 1.00 0.00 O ATOM 974 CB LEU A 62 1.153 -5.419 16.532 1.00 0.00 C ATOM 975 CG LEU A 62 0.027 -4.971 17.487 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.700 -3.717 16.996 1.00 0.00 C ATOM 977 CD2 LEU A 62 -1.014 -6.057 17.765 1.00 0.00 C ATOM 0 H LEU A 62 -0.132 -7.392 15.715 1.00 0.00 H new ATOM 0 HA LEU A 62 0.168 -4.814 14.714 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.567 -6.351 16.918 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.947 -4.674 16.579 1.00 0.00 H new ATOM 0 HG LEU A 62 0.550 -4.749 18.417 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.481 -3.448 17.707 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.011 -2.895 16.909 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.148 -3.914 16.022 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.773 -5.668 18.444 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.484 -6.358 16.829 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.527 -6.919 18.221 1.00 0.00 H new ATOM 989 N GLU A 63 2.720 -6.763 13.936 1.00 0.00 N ATOM 990 CA GLU A 63 3.908 -6.860 13.066 1.00 0.00 C ATOM 991 C GLU A 63 3.689 -6.216 11.687 1.00 0.00 C ATOM 992 O GLU A 63 4.484 -5.375 11.263 1.00 0.00 O ATOM 993 CB GLU A 63 4.337 -8.325 12.878 1.00 0.00 C ATOM 994 CG GLU A 63 4.942 -8.940 14.144 1.00 0.00 C ATOM 995 CD GLU A 63 5.524 -10.335 13.846 1.00 0.00 C ATOM 996 OE1 GLU A 63 4.788 -11.346 13.961 1.00 0.00 O ATOM 997 OE2 GLU A 63 6.726 -10.436 13.494 1.00 0.00 O ATOM 0 H GLU A 63 2.438 -7.658 14.336 1.00 0.00 H new ATOM 0 HA GLU A 63 4.698 -6.307 13.574 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.473 -8.914 12.572 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.065 -8.383 12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.725 -8.289 14.532 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.178 -9.017 14.918 1.00 0.00 H new ATOM 1004 N VAL A 64 2.606 -6.588 10.994 1.00 0.00 N ATOM 1005 CA VAL A 64 2.256 -6.033 9.674 1.00 0.00 C ATOM 1006 C VAL A 64 1.890 -4.548 9.796 1.00 0.00 C ATOM 1007 O VAL A 64 2.345 -3.733 8.994 1.00 0.00 O ATOM 1008 CB VAL A 64 1.106 -6.813 9.001 1.00 0.00 C ATOM 1009 CG1 VAL A 64 0.996 -6.433 7.519 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.302 -8.335 9.059 1.00 0.00 C ATOM 0 H VAL A 64 1.943 -7.285 11.332 1.00 0.00 H new ATOM 0 HA VAL A 64 3.136 -6.135 9.038 1.00 0.00 H new ATOM 0 HB VAL A 64 0.206 -6.545 9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.181 -6.992 7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.799 -5.365 7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.931 -6.672 7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.462 -8.829 8.570 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.227 -8.602 8.549 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.356 -8.656 10.099 1.00 0.00 H new ATOM 1020 N LEU A 65 1.115 -4.187 10.827 1.00 0.00 N ATOM 1021 CA LEU A 65 0.683 -2.815 11.103 1.00 0.00 C ATOM 1022 C LEU A 65 1.892 -1.865 11.271 1.00 0.00 C ATOM 1023 O LEU A 65 2.008 -0.872 10.555 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.244 -2.805 12.342 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.431 -1.817 12.296 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -1.943 -1.589 13.721 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.124 -0.450 11.689 1.00 0.00 C ATOM 0 H LEU A 65 0.763 -4.860 11.508 1.00 0.00 H new ATOM 0 HA LEU A 65 0.118 -2.441 10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.640 -3.811 12.482 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.360 -2.575 13.220 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.167 -2.286 11.643 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.781 -0.893 13.699 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.270 -2.538 14.146 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.142 -1.174 14.333 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.023 0.165 11.705 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.340 0.038 12.269 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.789 -0.576 10.660 1.00 0.00 H new ATOM 1039 N VAL A 66 2.810 -2.171 12.199 1.00 0.00 N ATOM 1040 CA VAL A 66 3.974 -1.329 12.545 1.00 0.00 C ATOM 1041 C VAL A 66 5.032 -1.286 11.442 1.00 0.00 C ATOM 1042 O VAL A 66 5.635 -0.234 11.227 1.00 0.00 O ATOM 1043 CB VAL A 66 4.598 -1.688 13.910 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.533 -1.679 15.019 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.375 -3.010 13.921 1.00 0.00 C ATOM 0 H VAL A 66 2.766 -3.031 12.746 1.00 0.00 H new ATOM 0 HA VAL A 66 3.572 -0.320 12.638 1.00 0.00 H new ATOM 0 HB VAL A 66 5.335 -0.909 14.105 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.997 -1.935 15.971 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.088 -0.687 15.088 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.758 -2.409 14.785 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.780 -3.186 14.918 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.706 -3.827 13.652 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.192 -2.958 13.201 1.00 0.00 H new ATOM 1055 N ALA A 67 5.223 -2.382 10.700 1.00 0.00 N ATOM 1056 CA ALA A 67 6.066 -2.410 9.506 1.00 0.00 C ATOM 1057 C ALA A 67 5.526 -1.465 8.418 1.00 0.00 C ATOM 1058 O ALA A 67 6.260 -0.611 7.914 1.00 0.00 O ATOM 1059 CB ALA A 67 6.171 -3.853 8.997 1.00 0.00 C ATOM 0 H ALA A 67 4.792 -3.281 10.915 1.00 0.00 H new ATOM 0 HA ALA A 67 7.063 -2.053 9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.799 -3.880 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.612 -4.481 9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.176 -4.225 8.751 1.00 0.00 H new ATOM 1065 N ASP A 68 4.239 -1.580 8.078 1.00 0.00 N ATOM 1066 CA ASP A 68 3.592 -0.706 7.097 1.00 0.00 C ATOM 1067 C ASP A 68 3.553 0.763 7.559 1.00 0.00 C ATOM 1068 O ASP A 68 3.741 1.651 6.729 1.00 0.00 O ATOM 1069 CB ASP A 68 2.186 -1.217 6.750 1.00 0.00 C ATOM 1070 CG ASP A 68 2.157 -2.386 5.745 1.00 0.00 C ATOM 1071 OD1 ASP A 68 3.182 -3.075 5.523 1.00 0.00 O ATOM 1072 OD2 ASP A 68 1.084 -2.589 5.126 1.00 0.00 O ATOM 0 H ASP A 68 3.616 -2.283 8.476 1.00 0.00 H new ATOM 0 HA ASP A 68 4.199 -0.735 6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.692 -1.533 7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.604 -0.391 6.343 1.00 0.00 H new ATOM 1077 N LEU A 69 3.390 1.042 8.860 1.00 0.00 N ATOM 1078 CA LEU A 69 3.498 2.389 9.438 1.00 0.00 C ATOM 1079 C LEU A 69 4.859 3.034 9.156 1.00 0.00 C ATOM 1080 O LEU A 69 4.899 4.072 8.497 1.00 0.00 O ATOM 1081 CB LEU A 69 3.216 2.368 10.949 1.00 0.00 C ATOM 1082 CG LEU A 69 1.726 2.338 11.317 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.578 1.913 12.777 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.084 3.720 11.153 1.00 0.00 C ATOM 0 H LEU A 69 3.175 0.325 9.553 1.00 0.00 H new ATOM 0 HA LEU A 69 2.739 3.001 8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.703 1.495 11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.672 3.248 11.403 1.00 0.00 H new ATOM 0 HG LEU A 69 1.228 1.634 10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.521 1.890 13.044 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.008 0.921 12.912 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.099 2.625 13.418 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.029 3.665 11.421 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.587 4.435 11.804 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.178 4.044 10.117 1.00 0.00 H new ATOM 1096 N VAL A 70 5.972 2.454 9.628 1.00 0.00 N ATOM 1097 CA VAL A 70 7.306 3.049 9.394 1.00 0.00 C ATOM 1098 C VAL A 70 7.640 3.152 7.899 1.00 0.00 C ATOM 1099 O VAL A 70 8.258 4.127 7.472 1.00 0.00 O ATOM 1100 CB VAL A 70 8.443 2.351 10.170 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.180 2.378 11.679 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.702 0.900 9.751 1.00 0.00 C ATOM 0 H VAL A 70 5.982 1.588 10.166 1.00 0.00 H new ATOM 0 HA VAL A 70 7.239 4.060 9.796 1.00 0.00 H new ATOM 0 HB VAL A 70 9.334 2.926 9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.997 1.879 12.200 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.111 3.412 12.018 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.244 1.862 11.895 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.516 0.489 10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.800 0.309 9.911 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.974 0.869 8.696 1.00 0.00 H new ATOM 1112 N ASN A 71 7.177 2.200 7.082 1.00 0.00 N ATOM 1113 CA ASN A 71 7.296 2.235 5.623 1.00 0.00 C ATOM 1114 C ASN A 71 6.531 3.417 4.989 1.00 0.00 C ATOM 1115 O ASN A 71 7.090 4.131 4.158 1.00 0.00 O ATOM 1116 CB ASN A 71 6.833 0.880 5.066 1.00 0.00 C ATOM 1117 CG ASN A 71 7.008 0.796 3.561 1.00 0.00 C ATOM 1118 OD1 ASN A 71 8.112 0.683 3.046 1.00 0.00 O ATOM 1119 ND2 ASN A 71 5.934 0.860 2.805 1.00 0.00 N ATOM 0 H ASN A 71 6.699 1.367 7.425 1.00 0.00 H new ATOM 0 HA ASN A 71 8.340 2.402 5.358 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.399 0.079 5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.784 0.723 5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.022 0.815 1.790 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.013 0.954 3.234 1.00 0.00 H new ATOM 1126 N ALA A 72 5.269 3.638 5.376 1.00 0.00 N ATOM 1127 CA ALA A 72 4.427 4.735 4.887 1.00 0.00 C ATOM 1128 C ALA A 72 4.859 6.123 5.411 1.00 0.00 C ATOM 1129 O ALA A 72 4.676 7.128 4.720 1.00 0.00 O ATOM 1130 CB ALA A 72 2.971 4.434 5.269 1.00 0.00 C ATOM 0 H ALA A 72 4.794 3.044 6.055 1.00 0.00 H new ATOM 0 HA ALA A 72 4.539 4.789 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.328 5.239 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.662 3.494 4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.888 4.355 6.353 1.00 0.00 H new ATOM 1136 N GLN A 73 5.440 6.190 6.616 1.00 0.00 N ATOM 1137 CA GLN A 73 6.033 7.408 7.184 1.00 0.00 C ATOM 1138 C GLN A 73 7.317 7.835 6.458 1.00 0.00 C ATOM 1139 O GLN A 73 7.534 9.031 6.263 1.00 0.00 O ATOM 1140 CB GLN A 73 6.330 7.210 8.677 1.00 0.00 C ATOM 1141 CG GLN A 73 5.054 7.254 9.529 1.00 0.00 C ATOM 1142 CD GLN A 73 5.349 7.130 11.023 1.00 0.00 C ATOM 1143 OE1 GLN A 73 6.297 6.491 11.464 1.00 0.00 O ATOM 1144 NE2 GLN A 73 4.559 7.759 11.863 1.00 0.00 N ATOM 0 H GLN A 73 5.512 5.383 7.236 1.00 0.00 H new ATOM 0 HA GLN A 73 5.300 8.204 7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.830 6.253 8.823 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.018 7.984 9.015 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.527 8.189 9.342 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.388 6.446 9.224 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.765 8.295 11.512 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.739 7.711 12.866 1.00 0.00 H new