USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 442 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 73 ASN : amide:sc= -8.04! C(o=-8.1!,f=-20!) USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= -0.0325 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.35) USER MOD Single : A 44 SER OG : rot -119:sc= 0.751 USER MOD Single : A 58 MET CE :methyl -179:sc= -5.32! (180deg=-5.39!) USER MOD Single : A 59 THR OG1 : rot 132:sc= -1.55 USER MOD Single : A 64 THR OG1 : rot 79:sc= 0.149 USER MOD Single : A 74 ASN : amide:sc= -2.4 K(o=-2.4,f=-3.5!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -151:sc= -0.33 (180deg=-1.48!) USER MOD Single : A 86 MET CE :methyl 151:sc= -0.338 (180deg=-1.27!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -67:sc= 0.747 USER MOD ----------------------------------------------------------------- ATOM 350 N LYS A 25 -5.681 3.594 1.161 1.00 0.00 N ATOM 351 CA LYS A 25 -4.409 4.227 0.838 1.00 0.00 C ATOM 352 C LYS A 25 -4.072 5.309 1.859 1.00 0.00 C ATOM 353 O LYS A 25 -2.902 5.608 2.097 1.00 0.00 O ATOM 354 CB LYS A 25 -4.458 4.831 -0.567 1.00 0.00 C ATOM 355 CG LYS A 25 -3.137 5.438 -1.014 1.00 0.00 C ATOM 356 CD LYS A 25 -3.107 6.940 -0.781 1.00 0.00 C ATOM 357 CE LYS A 25 -1.701 7.427 -0.472 1.00 0.00 C ATOM 358 NZ LYS A 25 -1.027 7.981 -1.680 1.00 0.00 N ATOM 0 HA LYS A 25 -3.630 3.465 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.751 4.057 -1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.230 5.600 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.317 4.968 -0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.979 5.230 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.485 7.454 -1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.771 7.195 0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.744 8.192 0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.111 6.602 -0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.071 8.302 -1.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.963 7.244 -2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.576 8.784 -2.046 1.00 0.00 H new ATOM 372 N THR A 26 -5.106 5.894 2.460 1.00 0.00 N ATOM 373 CA THR A 26 -4.917 6.943 3.454 1.00 0.00 C ATOM 374 C THR A 26 -4.261 6.388 4.709 1.00 0.00 C ATOM 375 O THR A 26 -3.546 7.100 5.411 1.00 0.00 O ATOM 376 CB THR A 26 -6.245 7.623 3.792 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.338 6.871 3.299 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.348 9.020 3.218 1.00 0.00 C ATOM 0 H THR A 26 -6.081 5.658 2.275 1.00 0.00 H new ATOM 0 HA THR A 26 -4.252 7.694 3.027 1.00 0.00 H new ATOM 0 HB THR A 26 -6.277 7.684 4.880 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.176 7.324 3.528 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.310 9.455 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.545 9.638 3.619 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.263 8.974 2.132 1.00 0.00 H new ATOM 386 N GLN A 27 -4.475 5.106 4.976 1.00 0.00 N ATOM 387 CA GLN A 27 -3.862 4.469 6.134 1.00 0.00 C ATOM 388 C GLN A 27 -2.342 4.569 6.027 1.00 0.00 C ATOM 389 O GLN A 27 -1.627 4.517 7.028 1.00 0.00 O ATOM 390 CB GLN A 27 -4.290 3.004 6.232 1.00 0.00 C ATOM 391 CG GLN A 27 -4.250 2.453 7.646 1.00 0.00 C ATOM 392 CD GLN A 27 -5.626 2.370 8.279 1.00 0.00 C ATOM 393 OE1 GLN A 27 -6.396 1.452 8.001 1.00 0.00 O ATOM 394 NE2 GLN A 27 -5.942 3.336 9.135 1.00 0.00 N ATOM 0 H GLN A 27 -5.063 4.492 4.412 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.194 4.982 7.037 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.302 2.903 5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.640 2.401 5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.800 1.460 7.633 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.609 3.085 8.260 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.272 4.078 9.336 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.854 3.335 9.591 1.00 0.00 H new ATOM 403 N LEU A 28 -1.863 4.721 4.793 1.00 0.00 N ATOM 404 CA LEU A 28 -0.436 4.841 4.517 1.00 0.00 C ATOM 405 C LEU A 28 0.028 6.287 4.592 1.00 0.00 C ATOM 406 O LEU A 28 1.223 6.581 4.594 1.00 0.00 O ATOM 407 CB LEU A 28 -0.134 4.277 3.135 1.00 0.00 C ATOM 408 CG LEU A 28 1.353 4.149 2.792 1.00 0.00 C ATOM 409 CD1 LEU A 28 1.629 2.830 2.089 1.00 0.00 C ATOM 410 CD2 LEU A 28 1.804 5.320 1.930 1.00 0.00 C ATOM 0 H LEU A 28 -2.452 4.764 3.961 1.00 0.00 H new ATOM 0 HA LEU A 28 0.103 4.275 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.595 3.293 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.609 4.914 2.389 1.00 0.00 H new ATOM 0 HG LEU A 28 1.922 4.166 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.691 2.758 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.345 2.004 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.049 2.781 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.863 5.213 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.227 5.334 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.645 6.253 2.471 1.00 0.00 H new ATOM 422 N ILE A 29 -0.940 7.171 4.652 1.00 0.00 N ATOM 423 CA ILE A 29 -0.691 8.610 4.728 1.00 0.00 C ATOM 424 C ILE A 29 -0.020 8.999 6.025 1.00 0.00 C ATOM 425 O ILE A 29 0.508 10.101 6.182 1.00 0.00 O ATOM 426 CB ILE A 29 -1.997 9.402 4.579 1.00 0.00 C ATOM 427 CG1 ILE A 29 -2.611 9.156 3.206 1.00 0.00 C ATOM 428 CG2 ILE A 29 -1.773 10.891 4.821 1.00 0.00 C ATOM 429 CD1 ILE A 29 -1.954 9.918 2.084 1.00 0.00 C ATOM 0 H ILE A 29 -1.929 6.922 4.650 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.020 8.855 3.904 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.697 9.051 5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.559 8.090 2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.667 9.423 3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.717 11.424 4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.390 11.042 5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.052 11.273 4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.453 9.684 1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.029 10.988 2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.904 9.634 2.017 1.00 0.00 H new ATOM 441 N GLU A 30 -0.050 8.073 6.930 1.00 0.00 N ATOM 442 CA GLU A 30 0.546 8.242 8.251 1.00 0.00 C ATOM 443 C GLU A 30 2.059 8.102 8.206 1.00 0.00 C ATOM 444 O GLU A 30 2.738 8.181 9.230 1.00 0.00 O ATOM 445 CB GLU A 30 -0.056 7.256 9.253 1.00 0.00 C ATOM 446 CG GLU A 30 -0.026 7.752 10.689 1.00 0.00 C ATOM 447 CD GLU A 30 1.050 7.076 11.518 1.00 0.00 C ATOM 448 OE1 GLU A 30 1.991 6.512 10.922 1.00 0.00 O ATOM 449 OE2 GLU A 30 0.949 7.110 12.762 1.00 0.00 O ATOM 0 H GLU A 30 -0.489 7.163 6.788 1.00 0.00 H new ATOM 0 HA GLU A 30 0.317 9.254 8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.088 7.049 8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.486 6.313 9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.140 8.829 10.694 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.998 7.577 11.150 1.00 0.00 H new ATOM 456 N ALA A 31 2.571 7.899 7.012 1.00 0.00 N ATOM 457 CA ALA A 31 4.006 7.747 6.800 1.00 0.00 C ATOM 458 C ALA A 31 4.653 9.082 6.453 1.00 0.00 C ATOM 459 O ALA A 31 5.828 9.309 6.746 1.00 0.00 O ATOM 460 CB ALA A 31 4.273 6.726 5.703 1.00 0.00 C ATOM 0 H ALA A 31 2.013 7.834 6.160 1.00 0.00 H new ATOM 0 HA ALA A 31 4.450 7.389 7.729 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.348 6.623 5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.852 5.763 5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.810 7.060 4.775 1.00 0.00 H new ATOM 466 N PHE A 32 3.880 9.964 5.824 1.00 0.00 N ATOM 467 CA PHE A 32 4.378 11.279 5.436 1.00 0.00 C ATOM 468 C PHE A 32 4.904 12.047 6.647 1.00 0.00 C ATOM 469 O PHE A 32 5.763 12.919 6.514 1.00 0.00 O ATOM 470 CB PHE A 32 3.274 12.083 4.748 1.00 0.00 C ATOM 471 CG PHE A 32 3.753 12.870 3.562 1.00 0.00 C ATOM 472 CD1 PHE A 32 3.973 12.248 2.344 1.00 0.00 C ATOM 473 CD2 PHE A 32 3.984 14.233 3.666 1.00 0.00 C ATOM 474 CE1 PHE A 32 4.414 12.970 1.251 1.00 0.00 C ATOM 475 CE2 PHE A 32 4.425 14.959 2.577 1.00 0.00 C ATOM 476 CZ PHE A 32 4.641 14.327 1.369 1.00 0.00 C ATOM 0 H PHE A 32 2.907 9.791 5.573 1.00 0.00 H new ATOM 0 HA PHE A 32 5.202 11.133 4.738 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.486 11.402 4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.829 12.766 5.471 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.798 11.187 2.247 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.817 14.733 4.609 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.581 12.474 0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.601 16.020 2.671 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.987 14.893 0.517 1.00 0.00 H new ATOM 486 N TYR A 33 4.383 11.717 7.825 1.00 0.00 N ATOM 487 CA TYR A 33 4.803 12.377 9.057 1.00 0.00 C ATOM 488 C TYR A 33 5.896 11.574 9.757 1.00 0.00 C ATOM 489 O TYR A 33 5.879 11.417 10.979 1.00 0.00 O ATOM 490 CB TYR A 33 3.607 12.562 9.992 1.00 0.00 C ATOM 491 CG TYR A 33 2.464 13.332 9.371 1.00 0.00 C ATOM 492 CD1 TYR A 33 1.657 12.751 8.399 1.00 0.00 C ATOM 493 CD2 TYR A 33 2.192 14.639 9.753 1.00 0.00 C ATOM 494 CE1 TYR A 33 0.612 13.453 7.828 1.00 0.00 C ATOM 495 CE2 TYR A 33 1.148 15.347 9.187 1.00 0.00 C ATOM 496 CZ TYR A 33 0.362 14.749 8.224 1.00 0.00 C ATOM 497 OH TYR A 33 -0.677 15.450 7.658 1.00 0.00 O ATOM 0 H TYR A 33 3.671 10.998 7.953 1.00 0.00 H new ATOM 0 HA TYR A 33 5.207 13.356 8.799 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.246 11.582 10.304 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.937 13.082 10.892 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.850 11.736 8.085 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.807 15.111 10.505 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.006 12.988 7.074 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.949 16.362 9.497 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.717 16.348 8.049 1.00 0.00 H new ATOM 507 N ASN A 34 6.845 11.070 8.977 1.00 0.00 N ATOM 508 CA ASN A 34 7.947 10.285 9.520 1.00 0.00 C ATOM 509 C ASN A 34 8.997 10.009 8.448 1.00 0.00 C ATOM 510 O ASN A 34 9.611 8.943 8.427 1.00 0.00 O ATOM 511 CB ASN A 34 7.426 8.965 10.093 1.00 0.00 C ATOM 512 CG ASN A 34 8.414 8.319 11.044 1.00 0.00 C ATOM 513 OD1 ASN A 34 8.782 7.156 10.880 1.00 0.00 O ATOM 514 ND2 ASN A 34 8.850 9.072 12.047 1.00 0.00 N ATOM 0 H ASN A 34 6.873 11.191 7.965 1.00 0.00 H new ATOM 0 HA ASN A 34 8.413 10.861 10.320 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.487 9.144 10.616 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.210 8.277 9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.516 8.691 12.719 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.519 10.032 12.146 1.00 0.00 H new ATOM 612 N PHE A 42 14.589 6.794 -2.779 1.00 0.00 N ATOM 613 CA PHE A 42 14.982 5.419 -2.503 1.00 0.00 C ATOM 614 C PHE A 42 15.047 5.160 -1.002 1.00 0.00 C ATOM 615 O PHE A 42 15.041 6.094 -0.199 1.00 0.00 O ATOM 616 CB PHE A 42 16.337 5.114 -3.144 1.00 0.00 C ATOM 617 CG PHE A 42 16.643 3.646 -3.237 1.00 0.00 C ATOM 618 CD1 PHE A 42 16.121 2.882 -4.270 1.00 0.00 C ATOM 619 CD2 PHE A 42 17.448 3.032 -2.293 1.00 0.00 C ATOM 620 CE1 PHE A 42 16.400 1.532 -4.358 1.00 0.00 C ATOM 621 CE2 PHE A 42 17.730 1.682 -2.377 1.00 0.00 C ATOM 622 CZ PHE A 42 17.205 0.931 -3.411 1.00 0.00 C ATOM 0 HA PHE A 42 14.228 4.761 -2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 42 16.361 5.546 -4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.121 5.604 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 42 15.490 3.347 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 42 17.860 3.614 -1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 42 15.989 0.947 -5.167 1.00 0.00 H new ATOM 0 HE2 PHE A 42 18.360 1.214 -1.635 1.00 0.00 H new ATOM 0 HZ PHE A 42 17.424 -0.124 -3.478 1.00 0.00 H new ATOM 632 N VAL A 43 15.108 3.886 -0.629 1.00 0.00 N ATOM 633 CA VAL A 43 15.175 3.501 0.775 1.00 0.00 C ATOM 634 C VAL A 43 15.344 1.993 0.918 1.00 0.00 C ATOM 635 O VAL A 43 14.554 1.216 0.379 1.00 0.00 O ATOM 636 CB VAL A 43 13.913 3.948 1.540 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.668 3.326 0.926 1.00 0.00 C ATOM 638 CG2 VAL A 43 14.025 3.597 3.016 1.00 0.00 C ATOM 0 H VAL A 43 15.112 3.102 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 43 16.042 4.002 1.205 1.00 0.00 H new ATOM 0 HB VAL A 43 13.827 5.032 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.787 3.653 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.580 3.639 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.743 2.240 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.124 3.921 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.139 2.519 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.892 4.099 3.445 1.00 0.00 H new ATOM 648 N SER A 44 16.379 1.585 1.644 1.00 0.00 N ATOM 649 CA SER A 44 16.652 0.169 1.855 1.00 0.00 C ATOM 650 C SER A 44 15.684 -0.432 2.869 1.00 0.00 C ATOM 651 O SER A 44 15.254 0.238 3.808 1.00 0.00 O ATOM 652 CB SER A 44 18.093 -0.027 2.331 1.00 0.00 C ATOM 653 OG SER A 44 18.934 1.008 1.852 1.00 0.00 O ATOM 0 H SER A 44 17.042 2.215 2.096 1.00 0.00 H new ATOM 0 HA SER A 44 16.515 -0.345 0.904 1.00 0.00 H new ATOM 0 HB2 SER A 44 18.120 -0.047 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.465 -0.991 1.986 1.00 0.00 H new ATOM 0 HG SER A 44 19.636 0.624 1.286 1.00 0.00 H new ATOM 659 N VAL A 45 15.349 -1.704 2.672 1.00 0.00 N ATOM 660 CA VAL A 45 14.436 -2.406 3.568 1.00 0.00 C ATOM 661 C VAL A 45 14.939 -2.359 5.007 1.00 0.00 C ATOM 662 O VAL A 45 14.212 -1.955 5.916 1.00 0.00 O ATOM 663 CB VAL A 45 14.262 -3.877 3.135 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.429 -4.658 4.139 1.00 0.00 C ATOM 665 CG2 VAL A 45 13.642 -3.954 1.748 1.00 0.00 C ATOM 0 H VAL A 45 15.697 -2.270 1.898 1.00 0.00 H new ATOM 0 HA VAL A 45 13.472 -1.901 3.512 1.00 0.00 H new ATOM 0 HB VAL A 45 15.251 -4.334 3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.327 -5.690 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.921 -4.641 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.442 -4.204 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.527 -4.999 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.665 -3.470 1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.289 -3.448 1.031 1.00 0.00 H new ATOM 675 N GLU A 46 16.185 -2.776 5.206 1.00 0.00 N ATOM 676 CA GLU A 46 16.790 -2.784 6.534 1.00 0.00 C ATOM 677 C GLU A 46 16.564 -1.451 7.246 1.00 0.00 C ATOM 678 O GLU A 46 16.467 -1.399 8.472 1.00 0.00 O ATOM 679 CB GLU A 46 18.288 -3.077 6.431 1.00 0.00 C ATOM 680 CG GLU A 46 18.616 -4.249 5.522 1.00 0.00 C ATOM 681 CD GLU A 46 20.023 -4.775 5.733 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.980 -4.083 5.329 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.165 -5.878 6.300 1.00 0.00 O ATOM 0 H GLU A 46 16.797 -3.114 4.463 1.00 0.00 H new ATOM 0 HA GLU A 46 16.313 -3.570 7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.799 -2.188 6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.680 -3.280 7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.901 -5.053 5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.499 -3.942 4.483 1.00 0.00 H new ATOM 690 N GLU A 47 16.471 -0.381 6.465 1.00 0.00 N ATOM 691 CA GLU A 47 16.245 0.951 7.013 1.00 0.00 C ATOM 692 C GLU A 47 14.754 1.268 7.046 1.00 0.00 C ATOM 693 O GLU A 47 14.284 2.015 7.905 1.00 0.00 O ATOM 694 CB GLU A 47 16.985 2.002 6.184 1.00 0.00 C ATOM 695 CG GLU A 47 17.303 3.272 6.955 1.00 0.00 C ATOM 696 CD GLU A 47 18.730 3.302 7.468 1.00 0.00 C ATOM 697 OE1 GLU A 47 19.637 2.874 6.722 1.00 0.00 O ATOM 698 OE2 GLU A 47 18.940 3.750 8.614 1.00 0.00 O ATOM 0 H GLU A 47 16.549 -0.410 5.448 1.00 0.00 H new ATOM 0 HA GLU A 47 16.631 0.972 8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.914 1.571 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.381 2.257 5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.134 4.135 6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.616 3.363 7.797 1.00 0.00 H new ATOM 705 N PHE A 48 14.016 0.692 6.102 1.00 0.00 N ATOM 706 CA PHE A 48 12.577 0.904 6.013 1.00 0.00 C ATOM 707 C PHE A 48 11.868 0.337 7.242 1.00 0.00 C ATOM 708 O PHE A 48 10.856 0.874 7.691 1.00 0.00 O ATOM 709 CB PHE A 48 12.029 0.247 4.745 1.00 0.00 C ATOM 710 CG PHE A 48 11.007 1.079 4.023 1.00 0.00 C ATOM 711 CD1 PHE A 48 9.995 1.722 4.720 1.00 0.00 C ATOM 712 CD2 PHE A 48 11.058 1.211 2.646 1.00 0.00 C ATOM 713 CE1 PHE A 48 9.055 2.485 4.054 1.00 0.00 C ATOM 714 CE2 PHE A 48 10.120 1.973 1.975 1.00 0.00 C ATOM 715 CZ PHE A 48 9.118 2.610 2.680 1.00 0.00 C ATOM 0 H PHE A 48 14.394 0.072 5.385 1.00 0.00 H new ATOM 0 HA PHE A 48 12.390 1.977 5.972 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.858 0.038 4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.583 -0.712 5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.941 1.625 5.794 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.839 0.713 2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.272 2.983 4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.171 2.070 0.901 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.384 3.206 2.157 1.00 0.00 H new ATOM 725 N ARG A 49 12.410 -0.753 7.778 1.00 0.00 N ATOM 726 CA ARG A 49 11.831 -1.397 8.954 1.00 0.00 C ATOM 727 C ARG A 49 11.693 -0.406 10.106 1.00 0.00 C ATOM 728 O ARG A 49 10.619 -0.265 10.691 1.00 0.00 O ATOM 729 CB ARG A 49 12.695 -2.583 9.388 1.00 0.00 C ATOM 730 CG ARG A 49 12.548 -3.801 8.491 1.00 0.00 C ATOM 731 CD ARG A 49 13.859 -4.560 8.365 1.00 0.00 C ATOM 732 NE ARG A 49 13.654 -6.007 8.336 1.00 0.00 N ATOM 733 CZ ARG A 49 14.592 -6.882 7.985 1.00 0.00 C ATOM 734 NH1 ARG A 49 15.801 -6.463 7.630 1.00 0.00 N ATOM 735 NH2 ARG A 49 14.322 -8.181 7.986 1.00 0.00 N ATOM 0 H ARG A 49 13.248 -1.209 7.418 1.00 0.00 H new ATOM 0 HA ARG A 49 10.837 -1.757 8.688 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.741 -2.275 9.401 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.432 -2.860 10.409 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.781 -4.462 8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.211 -3.488 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.372 -4.248 7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.509 -4.303 9.202 1.00 0.00 H new ATOM 0 HE ARG A 49 12.737 -6.367 8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 49 16.014 -5.466 7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 49 16.517 -7.139 7.362 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.395 -8.509 8.256 1.00 0.00 H new ATOM 0 HH22 ARG A 49 15.042 -8.852 7.717 1.00 0.00 H new ATOM 749 N GLY A 50 12.786 0.281 10.424 1.00 0.00 N ATOM 750 CA GLY A 50 12.762 1.253 11.502 1.00 0.00 C ATOM 751 C GLY A 50 11.696 2.313 11.302 1.00 0.00 C ATOM 752 O GLY A 50 11.210 2.905 12.264 1.00 0.00 O ATOM 0 H GLY A 50 13.687 0.182 9.955 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.586 0.739 12.447 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.738 1.733 11.577 1.00 0.00 H new ATOM 756 N ILE A 51 11.332 2.547 10.045 1.00 0.00 N ATOM 757 CA ILE A 51 10.316 3.540 9.715 1.00 0.00 C ATOM 758 C ILE A 51 8.914 2.967 9.890 1.00 0.00 C ATOM 759 O ILE A 51 7.968 3.696 10.179 1.00 0.00 O ATOM 760 CB ILE A 51 10.476 4.045 8.269 1.00 0.00 C ATOM 761 CG1 ILE A 51 11.922 4.469 8.011 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.521 5.201 7.999 1.00 0.00 C ATOM 763 CD1 ILE A 51 12.196 4.836 6.569 1.00 0.00 C ATOM 0 H ILE A 51 11.726 2.062 9.238 1.00 0.00 H new ATOM 0 HA ILE A 51 10.453 4.376 10.401 1.00 0.00 H new ATOM 0 HB ILE A 51 10.229 3.231 7.587 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.161 5.322 8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.588 3.657 8.304 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.648 5.545 6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.494 4.866 8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.737 6.019 8.686 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.241 5.127 6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.989 3.978 5.930 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.556 5.668 6.277 1.00 0.00 H new ATOM 775 N ILE A 52 8.787 1.656 9.713 1.00 0.00 N ATOM 776 CA ILE A 52 7.500 0.985 9.850 1.00 0.00 C ATOM 777 C ILE A 52 7.275 0.516 11.284 1.00 0.00 C ATOM 778 O ILE A 52 6.135 0.406 11.739 1.00 0.00 O ATOM 779 CB ILE A 52 7.396 -0.227 8.901 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.598 0.215 7.450 1.00 0.00 C ATOM 781 CG2 ILE A 52 6.051 -0.923 9.066 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.478 1.083 6.921 1.00 0.00 C ATOM 0 H ILE A 52 9.561 1.037 9.474 1.00 0.00 H new ATOM 0 HA ILE A 52 6.733 1.712 9.585 1.00 0.00 H new ATOM 0 HB ILE A 52 8.182 -0.937 9.159 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.538 0.762 7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.691 -0.669 6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.997 -1.775 8.388 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.944 -1.269 10.094 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.248 -0.223 8.834 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.688 1.359 5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.539 0.532 6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.399 1.985 7.528 1.00 0.00 H new ATOM 794 N ARG A 53 8.363 0.233 11.991 1.00 0.00 N ATOM 795 CA ARG A 53 8.284 -0.229 13.372 1.00 0.00 C ATOM 796 C ARG A 53 7.471 0.733 14.234 1.00 0.00 C ATOM 797 O ARG A 53 6.503 0.334 14.881 1.00 0.00 O ATOM 798 CB ARG A 53 9.687 -0.392 13.958 1.00 0.00 C ATOM 799 CG ARG A 53 10.484 -1.522 13.325 1.00 0.00 C ATOM 800 CD ARG A 53 10.417 -2.789 14.163 1.00 0.00 C ATOM 801 NE ARG A 53 11.603 -2.954 15.000 1.00 0.00 N ATOM 802 CZ ARG A 53 12.773 -3.401 14.549 1.00 0.00 C ATOM 803 NH1 ARG A 53 12.919 -3.724 13.271 1.00 0.00 N ATOM 804 NH2 ARG A 53 13.800 -3.521 15.378 1.00 0.00 N ATOM 0 H ARG A 53 9.313 0.316 11.629 1.00 0.00 H new ATOM 0 HA ARG A 53 7.779 -1.195 13.371 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.235 0.542 13.833 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.605 -0.572 15.030 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.099 -1.725 12.326 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.524 -1.215 13.210 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.529 -2.760 14.794 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.313 -3.653 13.507 1.00 0.00 H new ATOM 0 HE ARG A 53 11.530 -2.712 15.988 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.133 -3.630 12.628 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.818 -4.066 12.931 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.694 -3.271 16.361 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.697 -3.863 15.033 1.00 0.00 H new ATOM 818 N ASP A 54 7.876 1.998 14.244 1.00 0.00 N ATOM 819 CA ASP A 54 7.186 3.015 15.034 1.00 0.00 C ATOM 820 C ASP A 54 6.470 4.030 14.144 1.00 0.00 C ATOM 821 O ASP A 54 6.078 5.100 14.609 1.00 0.00 O ATOM 822 CB ASP A 54 8.181 3.735 15.945 1.00 0.00 C ATOM 823 CG ASP A 54 7.496 4.666 16.926 1.00 0.00 C ATOM 824 OD1 ASP A 54 6.827 4.164 17.853 1.00 0.00 O ATOM 825 OD2 ASP A 54 7.628 5.899 16.767 1.00 0.00 O ATOM 0 H ASP A 54 8.677 2.345 13.716 1.00 0.00 H new ATOM 0 HA ASP A 54 6.434 2.510 15.640 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.765 2.998 16.495 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.881 4.306 15.335 1.00 0.00 H new ATOM 830 N GLY A 55 6.306 3.698 12.866 1.00 0.00 N ATOM 831 CA GLY A 55 5.639 4.608 11.952 1.00 0.00 C ATOM 832 C GLY A 55 4.216 4.190 11.643 1.00 0.00 C ATOM 833 O GLY A 55 3.275 4.631 12.303 1.00 0.00 O ATOM 0 H GLY A 55 6.621 2.822 12.450 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.633 5.609 12.383 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.207 4.664 11.023 1.00 0.00 H new ATOM 837 N LEU A 56 4.056 3.344 10.631 1.00 0.00 N ATOM 838 CA LEU A 56 2.735 2.873 10.230 1.00 0.00 C ATOM 839 C LEU A 56 2.483 1.454 10.733 1.00 0.00 C ATOM 840 O LEU A 56 3.394 0.628 10.769 1.00 0.00 O ATOM 841 CB LEU A 56 2.598 2.915 8.708 1.00 0.00 C ATOM 842 CG LEU A 56 2.875 4.276 8.068 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.342 4.394 7.679 1.00 0.00 C ATOM 844 CD2 LEU A 56 1.982 4.487 6.857 1.00 0.00 C ATOM 0 H LEU A 56 4.824 2.970 10.074 1.00 0.00 H new ATOM 0 HA LEU A 56 1.992 3.534 10.676 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.281 2.183 8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.588 2.604 8.441 1.00 0.00 H new ATOM 0 HG LEU A 56 2.650 5.053 8.799 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.521 5.369 7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.964 4.288 8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.593 3.610 6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.193 5.461 6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.174 3.705 6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.937 4.447 7.164 1.00 0.00 H new ATOM 856 N PRO A 57 1.233 1.150 11.127 1.00 0.00 N ATOM 857 CA PRO A 57 0.866 -0.176 11.623 1.00 0.00 C ATOM 858 C PRO A 57 0.724 -1.193 10.498 1.00 0.00 C ATOM 859 O PRO A 57 -0.115 -1.041 9.610 1.00 0.00 O ATOM 860 CB PRO A 57 -0.481 0.066 12.302 1.00 0.00 C ATOM 861 CG PRO A 57 -1.075 1.209 11.552 1.00 0.00 C ATOM 862 CD PRO A 57 0.081 2.072 11.115 1.00 0.00 C ATOM 0 HA PRO A 57 1.624 -0.592 12.286 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.117 -0.818 12.249 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.356 0.306 13.358 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.644 0.856 10.692 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.764 1.771 12.182 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.086 2.491 10.123 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.233 2.911 11.794 1.00 0.00 H new ATOM 870 N MET A 58 1.554 -2.226 10.545 1.00 0.00 N ATOM 871 CA MET A 58 1.531 -3.270 9.531 1.00 0.00 C ATOM 872 C MET A 58 2.162 -4.551 10.062 1.00 0.00 C ATOM 873 O MET A 58 3.200 -4.517 10.723 1.00 0.00 O ATOM 874 CB MET A 58 2.275 -2.801 8.276 1.00 0.00 C ATOM 875 CG MET A 58 1.411 -2.770 7.027 1.00 0.00 C ATOM 876 SD MET A 58 2.260 -2.034 5.615 1.00 0.00 S ATOM 877 CE MET A 58 2.501 -3.471 4.572 1.00 0.00 C ATOM 0 H MET A 58 2.252 -2.363 11.276 1.00 0.00 H new ATOM 0 HA MET A 58 0.492 -3.477 9.274 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.676 -1.803 8.454 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.126 -3.460 8.102 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.107 -3.786 6.775 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.501 -2.207 7.233 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.031 -3.178 3.666 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.086 -4.217 5.110 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.532 -3.893 4.305 1.00 0.00 H new ATOM 887 N THR A 59 1.535 -5.682 9.760 1.00 0.00 N ATOM 888 CA THR A 59 2.046 -6.976 10.196 1.00 0.00 C ATOM 889 C THR A 59 3.205 -7.418 9.309 1.00 0.00 C ATOM 890 O THR A 59 3.220 -7.137 8.111 1.00 0.00 O ATOM 891 CB THR A 59 0.936 -8.030 10.166 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.099 -7.643 9.279 1.00 0.00 O ATOM 893 CG2 THR A 59 0.310 -8.277 11.521 1.00 0.00 C ATOM 0 H THR A 59 0.674 -5.729 9.216 1.00 0.00 H new ATOM 0 HA THR A 59 2.405 -6.873 11.220 1.00 0.00 H new ATOM 0 HB THR A 59 1.419 -8.949 9.833 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.320 -8.392 8.687 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.469 -9.034 11.429 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.074 -8.624 12.217 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.127 -7.351 11.894 1.00 0.00 H new ATOM 901 N GLU A 60 4.174 -8.114 9.902 1.00 0.00 N ATOM 902 CA GLU A 60 5.344 -8.600 9.170 1.00 0.00 C ATOM 903 C GLU A 60 4.952 -9.112 7.795 1.00 0.00 C ATOM 904 O GLU A 60 5.505 -8.704 6.781 1.00 0.00 O ATOM 905 CB GLU A 60 6.031 -9.721 9.949 1.00 0.00 C ATOM 906 CG GLU A 60 5.066 -10.735 10.545 1.00 0.00 C ATOM 907 CD GLU A 60 5.699 -11.566 11.643 1.00 0.00 C ATOM 908 OE1 GLU A 60 5.812 -11.062 12.780 1.00 0.00 O ATOM 909 OE2 GLU A 60 6.084 -12.723 11.365 1.00 0.00 O ATOM 0 H GLU A 60 4.172 -8.355 10.893 1.00 0.00 H new ATOM 0 HA GLU A 60 6.033 -7.764 9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.724 -10.239 9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.624 -9.283 10.752 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.197 -10.213 10.945 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.706 -11.395 9.756 1.00 0.00 H new ATOM 916 N ALA A 61 3.982 -10.008 7.777 1.00 0.00 N ATOM 917 CA ALA A 61 3.486 -10.588 6.540 1.00 0.00 C ATOM 918 C ALA A 61 3.249 -9.515 5.486 1.00 0.00 C ATOM 919 O ALA A 61 3.771 -9.597 4.380 1.00 0.00 O ATOM 920 CB ALA A 61 2.210 -11.362 6.808 1.00 0.00 C ATOM 0 H ALA A 61 3.516 -10.354 8.616 1.00 0.00 H new ATOM 0 HA ALA A 61 4.242 -11.272 6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.844 -11.794 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.412 -12.159 7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.456 -10.690 7.217 1.00 0.00 H new ATOM 926 N GLU A 62 2.469 -8.500 5.838 1.00 0.00 N ATOM 927 CA GLU A 62 2.184 -7.409 4.905 1.00 0.00 C ATOM 928 C GLU A 62 3.486 -6.799 4.406 1.00 0.00 C ATOM 929 O GLU A 62 3.781 -6.827 3.213 1.00 0.00 O ATOM 930 CB GLU A 62 1.324 -6.313 5.554 1.00 0.00 C ATOM 931 CG GLU A 62 0.503 -6.777 6.743 1.00 0.00 C ATOM 932 CD GLU A 62 -0.321 -8.014 6.439 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.166 -7.956 5.522 1.00 0.00 O ATOM 934 OE2 GLU A 62 -0.119 -9.042 7.119 1.00 0.00 O ATOM 0 H GLU A 62 2.025 -8.407 6.752 1.00 0.00 H new ATOM 0 HA GLU A 62 1.624 -7.830 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.975 -5.500 5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.650 -5.904 4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.169 -6.986 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.161 -5.972 7.057 1.00 0.00 H new ATOM 941 N ILE A 63 4.265 -6.254 5.337 1.00 0.00 N ATOM 942 CA ILE A 63 5.547 -5.636 5.001 1.00 0.00 C ATOM 943 C ILE A 63 6.488 -6.640 4.352 1.00 0.00 C ATOM 944 O ILE A 63 6.895 -6.471 3.206 1.00 0.00 O ATOM 945 CB ILE A 63 6.248 -5.048 6.242 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.237 -4.407 7.187 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.297 -4.032 5.820 1.00 0.00 C ATOM 948 CD1 ILE A 63 5.015 -5.219 8.436 1.00 0.00 C ATOM 0 H ILE A 63 4.032 -6.227 6.330 1.00 0.00 H new ATOM 0 HA ILE A 63 5.321 -4.830 4.302 1.00 0.00 H new ATOM 0 HB ILE A 63 6.740 -5.862 6.775 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.584 -3.411 7.463 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.288 -4.281 6.666 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.785 -3.624 6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.040 -4.518 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.819 -3.225 5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.287 -4.716 9.072 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.641 -6.207 8.166 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.957 -5.323 8.975 1.00 0.00 H new ATOM 960 N THR A 64 6.825 -7.686 5.096 1.00 0.00 N ATOM 961 CA THR A 64 7.720 -8.730 4.608 1.00 0.00 C ATOM 962 C THR A 64 7.280 -9.238 3.243 1.00 0.00 C ATOM 963 O THR A 64 8.078 -9.304 2.307 1.00 0.00 O ATOM 964 CB THR A 64 7.747 -9.892 5.595 1.00 0.00 C ATOM 965 OG1 THR A 64 8.285 -9.486 6.839 1.00 0.00 O ATOM 966 CG2 THR A 64 8.548 -11.078 5.107 1.00 0.00 C ATOM 0 H THR A 64 6.489 -7.835 6.048 1.00 0.00 H new ATOM 0 HA THR A 64 8.718 -8.301 4.513 1.00 0.00 H new ATOM 0 HB THR A 64 6.707 -10.200 5.701 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.602 -9.001 7.348 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.524 -11.867 5.859 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.118 -11.450 4.177 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.580 -10.773 4.933 1.00 0.00 H new ATOM 974 N GLU A 65 6.005 -9.596 3.131 1.00 0.00 N ATOM 975 CA GLU A 65 5.476 -10.093 1.866 1.00 0.00 C ATOM 976 C GLU A 65 5.519 -9.010 0.814 1.00 0.00 C ATOM 977 O GLU A 65 5.421 -9.269 -0.386 1.00 0.00 O ATOM 978 CB GLU A 65 4.051 -10.615 2.028 1.00 0.00 C ATOM 979 CG GLU A 65 3.549 -11.403 0.827 1.00 0.00 C ATOM 980 CD GLU A 65 3.890 -12.877 0.916 1.00 0.00 C ATOM 981 OE1 GLU A 65 3.475 -13.524 1.900 1.00 0.00 O ATOM 982 OE2 GLU A 65 4.572 -13.384 0.000 1.00 0.00 O ATOM 0 H GLU A 65 5.326 -9.552 3.891 1.00 0.00 H new ATOM 0 HA GLU A 65 6.105 -10.923 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.004 -11.249 2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.382 -9.772 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.468 -11.288 0.747 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.982 -10.988 -0.083 1.00 0.00 H new ATOM 989 N PHE A 66 5.683 -7.798 1.287 1.00 0.00 N ATOM 990 CA PHE A 66 5.768 -6.641 0.421 1.00 0.00 C ATOM 991 C PHE A 66 7.225 -6.280 0.153 1.00 0.00 C ATOM 992 O PHE A 66 7.549 -5.678 -0.870 1.00 0.00 O ATOM 993 CB PHE A 66 5.034 -5.442 1.032 1.00 0.00 C ATOM 994 CG PHE A 66 3.597 -5.333 0.604 1.00 0.00 C ATOM 995 CD1 PHE A 66 3.237 -5.521 -0.721 1.00 0.00 C ATOM 996 CD2 PHE A 66 2.606 -5.040 1.528 1.00 0.00 C ATOM 997 CE1 PHE A 66 1.917 -5.418 -1.117 1.00 0.00 C ATOM 998 CE2 PHE A 66 1.284 -4.937 1.139 1.00 0.00 C ATOM 999 CZ PHE A 66 0.939 -5.127 -0.185 1.00 0.00 C ATOM 0 H PHE A 66 5.761 -7.583 2.281 1.00 0.00 H new ATOM 0 HA PHE A 66 5.287 -6.894 -0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.076 -5.516 2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.557 -4.527 0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.997 -5.751 -1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.870 -4.890 2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.650 -5.565 -2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.522 -4.708 1.869 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.094 -5.048 -0.491 1.00 0.00 H new ATOM 1009 N PHE A 67 8.104 -6.655 1.083 1.00 0.00 N ATOM 1010 CA PHE A 67 9.526 -6.372 0.948 1.00 0.00 C ATOM 1011 C PHE A 67 10.156 -7.277 -0.106 1.00 0.00 C ATOM 1012 O PHE A 67 11.110 -6.889 -0.783 1.00 0.00 O ATOM 1013 CB PHE A 67 10.235 -6.558 2.291 1.00 0.00 C ATOM 1014 CG PHE A 67 10.286 -5.315 3.139 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.488 -4.067 2.567 1.00 0.00 C ATOM 1016 CD2 PHE A 67 10.131 -5.400 4.513 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.529 -2.929 3.352 1.00 0.00 C ATOM 1018 CE2 PHE A 67 10.173 -4.266 5.301 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.372 -3.030 4.720 1.00 0.00 C ATOM 0 H PHE A 67 7.853 -7.155 1.936 1.00 0.00 H new ATOM 0 HA PHE A 67 9.640 -5.336 0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.729 -7.345 2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.253 -6.901 2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.615 -3.983 1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.975 -6.364 4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.684 -1.963 2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.050 -4.347 6.371 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.405 -2.143 5.335 1.00 0.00 H new ATOM 1029 N GLU A 68 9.615 -8.483 -0.241 1.00 0.00 N ATOM 1030 CA GLU A 68 10.122 -9.443 -1.214 1.00 0.00 C ATOM 1031 C GLU A 68 9.508 -9.202 -2.590 1.00 0.00 C ATOM 1032 O GLU A 68 10.119 -9.506 -3.614 1.00 0.00 O ATOM 1033 CB GLU A 68 9.825 -10.872 -0.753 1.00 0.00 C ATOM 1034 CG GLU A 68 10.191 -11.131 0.699 1.00 0.00 C ATOM 1035 CD GLU A 68 10.820 -12.494 0.907 1.00 0.00 C ATOM 1036 OE1 GLU A 68 10.077 -13.497 0.918 1.00 0.00 O ATOM 1037 OE2 GLU A 68 12.058 -12.557 1.062 1.00 0.00 O ATOM 0 H GLU A 68 8.826 -8.819 0.311 1.00 0.00 H new ATOM 0 HA GLU A 68 11.201 -9.309 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.764 -11.077 -0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.371 -11.570 -1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.883 -10.360 1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.296 -11.050 1.316 1.00 0.00 H new ATOM 1044 N ALA A 69 8.296 -8.656 -2.608 1.00 0.00 N ATOM 1045 CA ALA A 69 7.601 -8.376 -3.861 1.00 0.00 C ATOM 1046 C ALA A 69 8.070 -7.075 -4.488 1.00 0.00 C ATOM 1047 O ALA A 69 7.759 -6.767 -5.638 1.00 0.00 O ATOM 1048 CB ALA A 69 6.104 -8.332 -3.629 1.00 0.00 C ATOM 0 H ALA A 69 7.775 -8.399 -1.770 1.00 0.00 H new ATOM 0 HA ALA A 69 7.837 -9.182 -4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.596 -8.122 -4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.767 -9.294 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.870 -7.548 -2.908 1.00 0.00 H new ATOM 1054 N ALA A 70 8.819 -6.330 -3.715 1.00 0.00 N ATOM 1055 CA ALA A 70 9.361 -5.049 -4.152 1.00 0.00 C ATOM 1056 C ALA A 70 10.797 -5.199 -4.640 1.00 0.00 C ATOM 1057 O ALA A 70 11.263 -4.428 -5.479 1.00 0.00 O ATOM 1058 CB ALA A 70 9.289 -4.035 -3.022 1.00 0.00 C ATOM 0 H ALA A 70 9.076 -6.587 -2.762 1.00 0.00 H new ATOM 0 HA ALA A 70 8.757 -4.691 -4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.697 -3.083 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.250 -3.898 -2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.868 -4.396 -2.172 1.00 0.00 H new ATOM 1064 N ASP A 71 11.495 -6.195 -4.107 1.00 0.00 N ATOM 1065 CA ASP A 71 12.879 -6.448 -4.484 1.00 0.00 C ATOM 1066 C ASP A 71 13.039 -7.863 -5.042 1.00 0.00 C ATOM 1067 O ASP A 71 12.772 -8.843 -4.347 1.00 0.00 O ATOM 1068 CB ASP A 71 13.794 -6.253 -3.272 1.00 0.00 C ATOM 1069 CG ASP A 71 15.264 -6.344 -3.633 1.00 0.00 C ATOM 1070 OD1 ASP A 71 15.590 -6.226 -4.833 1.00 0.00 O ATOM 1071 OD2 ASP A 71 16.088 -6.534 -2.715 1.00 0.00 O ATOM 0 H ASP A 71 11.123 -6.841 -3.411 1.00 0.00 H new ATOM 0 HA ASP A 71 13.161 -5.739 -5.263 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.593 -5.281 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.561 -7.007 -2.520 1.00 0.00 H new ATOM 1076 N PRO A 72 13.472 -7.993 -6.310 1.00 0.00 N ATOM 1077 CA PRO A 72 13.654 -9.300 -6.953 1.00 0.00 C ATOM 1078 C PRO A 72 14.717 -10.151 -6.264 1.00 0.00 C ATOM 1079 O PRO A 72 14.461 -11.294 -5.886 1.00 0.00 O ATOM 1080 CB PRO A 72 14.091 -8.952 -8.380 1.00 0.00 C ATOM 1081 CG PRO A 72 14.610 -7.557 -8.297 1.00 0.00 C ATOM 1082 CD PRO A 72 13.808 -6.883 -7.221 1.00 0.00 C ATOM 0 HA PRO A 72 12.742 -9.895 -6.909 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.860 -9.638 -8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.255 -9.021 -9.076 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.673 -7.549 -8.055 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.497 -7.041 -9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.383 -6.107 -6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.914 -6.407 -7.623 1.00 0.00 H new ATOM 1090 N ASN A 73 15.913 -9.590 -6.107 1.00 0.00 N ATOM 1091 CA ASN A 73 17.012 -10.306 -5.467 1.00 0.00 C ATOM 1092 C ASN A 73 16.735 -10.516 -3.982 1.00 0.00 C ATOM 1093 O ASN A 73 17.144 -11.521 -3.400 1.00 0.00 O ATOM 1094 CB ASN A 73 18.324 -9.539 -5.651 1.00 0.00 C ATOM 1095 CG ASN A 73 18.185 -8.064 -5.330 1.00 0.00 C ATOM 1096 OD1 ASN A 73 17.607 -7.691 -4.309 1.00 0.00 O ATOM 1097 ND2 ASN A 73 18.714 -7.216 -6.203 1.00 0.00 N ATOM 0 H ASN A 73 16.145 -8.645 -6.413 1.00 0.00 H new ATOM 0 HA ASN A 73 17.101 -11.283 -5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 73 19.090 -9.976 -5.010 1.00 0.00 H new ATOM 0 HB3 ASN A 73 18.666 -9.653 -6.680 1.00 0.00 H new ATOM 0 HD21 ASN A 73 18.650 -6.211 -6.041 1.00 0.00 H new ATOM 0 HD22 ASN A 73 19.184 -7.569 -7.036 1.00 0.00 H new ATOM 1104 N ASN A 74 16.039 -9.560 -3.374 1.00 0.00 N ATOM 1105 CA ASN A 74 15.704 -9.630 -1.956 1.00 0.00 C ATOM 1106 C ASN A 74 16.928 -9.337 -1.101 1.00 0.00 C ATOM 1107 O ASN A 74 17.183 -10.017 -0.106 1.00 0.00 O ATOM 1108 CB ASN A 74 15.132 -11.003 -1.592 1.00 0.00 C ATOM 1109 CG ASN A 74 14.134 -11.507 -2.616 1.00 0.00 C ATOM 1110 OD1 ASN A 74 14.497 -12.194 -3.569 1.00 0.00 O ATOM 1111 ND2 ASN A 74 12.864 -11.167 -2.422 1.00 0.00 N ATOM 0 H ASN A 74 15.694 -8.723 -3.845 1.00 0.00 H new ATOM 0 HA ASN A 74 14.944 -8.875 -1.757 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.948 -11.720 -1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.649 -10.945 -0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.147 -11.478 -3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.606 -10.595 -1.618 1.00 0.00 H new ATOM 1118 N THR A 75 17.680 -8.315 -1.492 1.00 0.00 N ATOM 1119 CA THR A 75 18.874 -7.927 -0.758 1.00 0.00 C ATOM 1120 C THR A 75 18.545 -6.845 0.264 1.00 0.00 C ATOM 1121 O THR A 75 19.326 -5.919 0.479 1.00 0.00 O ATOM 1122 CB THR A 75 19.954 -7.429 -1.719 1.00 0.00 C ATOM 1123 OG1 THR A 75 19.638 -6.133 -2.200 1.00 0.00 O ATOM 1124 CG2 THR A 75 20.149 -8.329 -2.919 1.00 0.00 C ATOM 0 H THR A 75 17.483 -7.742 -2.312 1.00 0.00 H new ATOM 0 HA THR A 75 19.251 -8.803 -0.231 1.00 0.00 H new ATOM 0 HB THR A 75 20.876 -7.421 -1.138 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.341 -5.831 -2.812 1.00 0.00 H new ATOM 0 HG21 THR A 75 20.929 -7.918 -3.559 1.00 0.00 H new ATOM 0 HG22 THR A 75 20.442 -9.324 -2.584 1.00 0.00 H new ATOM 0 HG23 THR A 75 19.217 -8.395 -3.480 1.00 0.00 H new ATOM 1132 N GLY A 76 17.374 -6.965 0.884 1.00 0.00 N ATOM 1133 CA GLY A 76 16.948 -5.990 1.868 1.00 0.00 C ATOM 1134 C GLY A 76 16.944 -4.580 1.318 1.00 0.00 C ATOM 1135 O GLY A 76 17.012 -3.608 2.070 1.00 0.00 O ATOM 0 H GLY A 76 16.712 -7.723 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.947 -6.244 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.609 -6.038 2.733 1.00 0.00 H new ATOM 1139 N PHE A 77 16.848 -4.468 -0.001 1.00 0.00 N ATOM 1140 CA PHE A 77 16.814 -3.171 -0.655 1.00 0.00 C ATOM 1141 C PHE A 77 15.563 -3.061 -1.513 1.00 0.00 C ATOM 1142 O PHE A 77 15.276 -3.945 -2.320 1.00 0.00 O ATOM 1143 CB PHE A 77 18.064 -2.967 -1.513 1.00 0.00 C ATOM 1144 CG PHE A 77 19.176 -2.258 -0.794 1.00 0.00 C ATOM 1145 CD1 PHE A 77 19.680 -2.758 0.395 1.00 0.00 C ATOM 1146 CD2 PHE A 77 19.717 -1.090 -1.309 1.00 0.00 C ATOM 1147 CE1 PHE A 77 20.703 -2.107 1.059 1.00 0.00 C ATOM 1148 CE2 PHE A 77 20.740 -0.435 -0.649 1.00 0.00 C ATOM 1149 CZ PHE A 77 21.234 -0.944 0.536 1.00 0.00 C ATOM 0 H PHE A 77 16.792 -5.263 -0.638 1.00 0.00 H new ATOM 0 HA PHE A 77 16.794 -2.394 0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 77 18.423 -3.938 -1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 77 17.795 -2.397 -2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 77 19.269 -3.667 0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 77 19.335 -0.688 -2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 77 21.087 -2.507 1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 77 21.153 0.474 -1.060 1.00 0.00 H new ATOM 0 HZ PHE A 77 22.034 -0.434 1.053 1.00 0.00 H new ATOM 1159 N ILE A 78 14.813 -1.985 -1.328 1.00 0.00 N ATOM 1160 CA ILE A 78 13.584 -1.782 -2.081 1.00 0.00 C ATOM 1161 C ILE A 78 13.707 -0.610 -3.045 1.00 0.00 C ATOM 1162 O ILE A 78 14.455 0.338 -2.805 1.00 0.00 O ATOM 1163 CB ILE A 78 12.380 -1.556 -1.123 1.00 0.00 C ATOM 1164 CG1 ILE A 78 11.621 -2.867 -0.915 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.428 -0.487 -1.654 1.00 0.00 C ATOM 1166 CD1 ILE A 78 10.216 -2.678 -0.379 1.00 0.00 C ATOM 0 H ILE A 78 15.033 -1.241 -0.665 1.00 0.00 H new ATOM 0 HA ILE A 78 13.408 -2.686 -2.664 1.00 0.00 H new ATOM 0 HB ILE A 78 12.778 -1.208 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.570 -3.402 -1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.182 -3.496 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.600 -0.358 -0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.963 0.457 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.040 -0.795 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.739 -3.651 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.259 -2.172 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.637 -2.076 -1.079 1.00 0.00 H new ATOM 1178 N ASP A 79 12.937 -0.676 -4.124 1.00 0.00 N ATOM 1179 CA ASP A 79 12.920 0.383 -5.118 1.00 0.00 C ATOM 1180 C ASP A 79 11.716 1.282 -4.870 1.00 0.00 C ATOM 1181 O ASP A 79 10.599 0.958 -5.271 1.00 0.00 O ATOM 1182 CB ASP A 79 12.861 -0.203 -6.530 1.00 0.00 C ATOM 1183 CG ASP A 79 14.239 -0.445 -7.114 1.00 0.00 C ATOM 1184 OD1 ASP A 79 14.791 0.486 -7.739 1.00 0.00 O ATOM 1185 OD2 ASP A 79 14.767 -1.564 -6.946 1.00 0.00 O ATOM 0 H ASP A 79 12.314 -1.457 -4.331 1.00 0.00 H new ATOM 0 HA ASP A 79 13.836 0.968 -5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.309 -1.143 -6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.308 0.476 -7.179 1.00 0.00 H new ATOM 1190 N TYR A 80 11.951 2.398 -4.183 1.00 0.00 N ATOM 1191 CA TYR A 80 10.887 3.347 -3.846 1.00 0.00 C ATOM 1192 C TYR A 80 9.837 3.445 -4.949 1.00 0.00 C ATOM 1193 O TYR A 80 8.648 3.600 -4.672 1.00 0.00 O ATOM 1194 CB TYR A 80 11.481 4.729 -3.578 1.00 0.00 C ATOM 1195 CG TYR A 80 10.457 5.752 -3.137 1.00 0.00 C ATOM 1196 CD1 TYR A 80 10.007 5.790 -1.823 1.00 0.00 C ATOM 1197 CD2 TYR A 80 9.941 6.678 -4.034 1.00 0.00 C ATOM 1198 CE1 TYR A 80 9.072 6.724 -1.416 1.00 0.00 C ATOM 1199 CE2 TYR A 80 9.006 7.615 -3.636 1.00 0.00 C ATOM 1200 CZ TYR A 80 8.575 7.633 -2.326 1.00 0.00 C ATOM 1201 OH TYR A 80 7.644 8.563 -1.925 1.00 0.00 O ATOM 0 H TYR A 80 12.874 2.670 -3.846 1.00 0.00 H new ATOM 0 HA TYR A 80 10.394 2.976 -2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.250 4.642 -2.810 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.973 5.086 -4.483 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.394 5.079 -1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 80 10.276 6.666 -5.061 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.733 6.741 -0.391 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.615 8.329 -4.346 1.00 0.00 H new ATOM 0 HH TYR A 80 7.398 9.129 -2.686 1.00 0.00 H new ATOM 1211 N LYS A 81 10.280 3.349 -6.197 1.00 0.00 N ATOM 1212 CA LYS A 81 9.365 3.424 -7.330 1.00 0.00 C ATOM 1213 C LYS A 81 8.436 2.216 -7.347 1.00 0.00 C ATOM 1214 O LYS A 81 7.215 2.362 -7.406 1.00 0.00 O ATOM 1215 CB LYS A 81 10.144 3.510 -8.643 1.00 0.00 C ATOM 1216 CG LYS A 81 10.447 4.935 -9.079 1.00 0.00 C ATOM 1217 CD LYS A 81 11.841 5.365 -8.651 1.00 0.00 C ATOM 1218 CE LYS A 81 11.803 6.199 -7.381 1.00 0.00 C ATOM 1219 NZ LYS A 81 10.842 7.331 -7.490 1.00 0.00 N ATOM 0 H LYS A 81 11.260 3.220 -6.449 1.00 0.00 H new ATOM 0 HA LYS A 81 8.762 4.326 -7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.082 2.965 -8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.574 3.012 -9.427 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.358 5.011 -10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.709 5.612 -8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.461 4.483 -8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.307 5.940 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.524 5.566 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.800 6.587 -7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.163 8.118 -6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.790 7.649 -8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.901 7.019 -7.177 1.00 0.00 H new ATOM 1233 N ALA A 82 9.020 1.025 -7.277 1.00 0.00 N ATOM 1234 CA ALA A 82 8.237 -0.206 -7.266 1.00 0.00 C ATOM 1235 C ALA A 82 7.239 -0.191 -6.114 1.00 0.00 C ATOM 1236 O ALA A 82 6.204 -0.855 -6.160 1.00 0.00 O ATOM 1237 CB ALA A 82 9.152 -1.419 -7.155 1.00 0.00 C ATOM 0 H ALA A 82 10.029 0.885 -7.227 1.00 0.00 H new ATOM 0 HA ALA A 82 7.686 -0.272 -8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.551 -2.328 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.833 -1.440 -8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.727 -1.357 -6.231 1.00 0.00 H new ATOM 1243 N PHE A 83 7.567 0.579 -5.080 1.00 0.00 N ATOM 1244 CA PHE A 83 6.716 0.697 -3.907 1.00 0.00 C ATOM 1245 C PHE A 83 5.761 1.880 -4.043 1.00 0.00 C ATOM 1246 O PHE A 83 4.657 1.866 -3.500 1.00 0.00 O ATOM 1247 CB PHE A 83 7.581 0.853 -2.656 1.00 0.00 C ATOM 1248 CG PHE A 83 7.360 -0.227 -1.638 1.00 0.00 C ATOM 1249 CD1 PHE A 83 7.301 -1.554 -2.028 1.00 0.00 C ATOM 1250 CD2 PHE A 83 7.214 0.082 -0.295 1.00 0.00 C ATOM 1251 CE1 PHE A 83 7.099 -2.555 -1.100 1.00 0.00 C ATOM 1252 CE2 PHE A 83 7.013 -0.916 0.640 1.00 0.00 C ATOM 1253 CZ PHE A 83 6.955 -2.236 0.236 1.00 0.00 C ATOM 0 H PHE A 83 8.422 1.133 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 83 6.117 -0.210 -3.819 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.631 0.857 -2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.374 1.820 -2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.414 -1.809 -3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.258 1.113 0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.054 -3.586 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.902 -0.664 1.684 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.797 -3.018 0.964 1.00 0.00 H new ATOM 1263 N ALA A 84 6.197 2.902 -4.773 1.00 0.00 N ATOM 1264 CA ALA A 84 5.386 4.095 -4.983 1.00 0.00 C ATOM 1265 C ALA A 84 4.343 3.867 -6.073 1.00 0.00 C ATOM 1266 O ALA A 84 3.296 4.517 -6.089 1.00 0.00 O ATOM 1267 CB ALA A 84 6.272 5.278 -5.338 1.00 0.00 C ATOM 0 H ALA A 84 7.109 2.927 -5.229 1.00 0.00 H new ATOM 0 HA ALA A 84 4.860 4.314 -4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.654 6.162 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.974 5.463 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.824 5.058 -6.252 1.00 0.00 H new ATOM 1273 N ALA A 85 4.633 2.944 -6.984 1.00 0.00 N ATOM 1274 CA ALA A 85 3.718 2.634 -8.079 1.00 0.00 C ATOM 1275 C ALA A 85 2.502 1.862 -7.597 1.00 0.00 C ATOM 1276 O ALA A 85 1.523 1.691 -8.321 1.00 0.00 O ATOM 1277 CB ALA A 85 4.439 1.859 -9.166 1.00 0.00 C ATOM 0 H ALA A 85 5.494 2.397 -6.987 1.00 0.00 H new ATOM 0 HA ALA A 85 3.365 3.580 -8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.744 1.635 -9.975 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.265 2.456 -9.552 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.827 0.928 -8.753 1.00 0.00 H new ATOM 1283 N MET A 86 2.586 1.407 -6.371 1.00 0.00 N ATOM 1284 CA MET A 86 1.509 0.647 -5.748 1.00 0.00 C ATOM 1285 C MET A 86 0.444 1.580 -5.183 1.00 0.00 C ATOM 1286 O MET A 86 -0.748 1.280 -5.230 1.00 0.00 O ATOM 1287 CB MET A 86 2.062 -0.248 -4.638 1.00 0.00 C ATOM 1288 CG MET A 86 1.247 -1.510 -4.410 1.00 0.00 C ATOM 1289 SD MET A 86 1.631 -2.809 -5.601 1.00 0.00 S ATOM 1290 CE MET A 86 3.363 -3.092 -5.247 1.00 0.00 C ATOM 0 H MET A 86 3.398 1.548 -5.770 1.00 0.00 H new ATOM 0 HA MET A 86 1.050 0.021 -6.513 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.086 -0.527 -4.884 1.00 0.00 H new ATOM 0 HB3 MET A 86 2.101 0.322 -3.709 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.432 -1.880 -3.402 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.186 -1.269 -4.471 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.617 -4.127 -5.477 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.973 -2.424 -5.856 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.555 -2.897 -4.192 1.00 0.00 H new ATOM 1300 N LEU A 87 0.884 2.716 -4.648 1.00 0.00 N ATOM 1301 CA LEU A 87 -0.032 3.696 -4.074 1.00 0.00 C ATOM 1302 C LEU A 87 -0.569 4.639 -5.130 1.00 0.00 C ATOM 1303 O LEU A 87 -1.447 5.464 -4.878 1.00 0.00 O ATOM 1304 CB LEU A 87 0.670 4.493 -2.988 1.00 0.00 C ATOM 1305 CG LEU A 87 1.069 3.696 -1.746 1.00 0.00 C ATOM 1306 CD1 LEU A 87 2.320 4.286 -1.112 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -0.076 3.665 -0.744 1.00 0.00 C ATOM 0 H LEU A 87 1.868 2.980 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.873 3.152 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.567 4.944 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.017 5.310 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 87 1.289 2.672 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.589 3.706 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.140 4.256 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.128 5.319 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.224 3.094 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.327 4.683 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.947 3.196 -1.201 1.00 0.00 H new ATOM 1319 N TYR A 88 -0.024 4.490 -6.302 1.00 0.00 N ATOM 1320 CA TYR A 88 -0.404 5.301 -7.453 1.00 0.00 C ATOM 1321 C TYR A 88 -0.798 4.421 -8.636 1.00 0.00 C ATOM 1322 O TYR A 88 -0.759 4.857 -9.787 1.00 0.00 O ATOM 1323 CB TYR A 88 0.743 6.230 -7.853 1.00 0.00 C ATOM 1324 CG TYR A 88 1.315 7.018 -6.696 1.00 0.00 C ATOM 1325 CD1 TYR A 88 0.481 7.624 -5.765 1.00 0.00 C ATOM 1326 CD2 TYR A 88 2.688 7.157 -6.536 1.00 0.00 C ATOM 1327 CE1 TYR A 88 1.000 8.346 -4.706 1.00 0.00 C ATOM 1328 CE2 TYR A 88 3.215 7.876 -5.480 1.00 0.00 C ATOM 1329 CZ TYR A 88 2.366 8.470 -4.568 1.00 0.00 C ATOM 1330 OH TYR A 88 2.885 9.187 -3.516 1.00 0.00 O ATOM 0 H TYR A 88 0.702 3.802 -6.501 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.267 5.903 -7.169 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.538 5.638 -8.307 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.388 6.924 -8.615 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.590 7.530 -5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.355 6.695 -7.249 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.338 8.811 -3.990 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.285 7.973 -5.369 1.00 0.00 H new ATOM 0 HH TYR A 88 3.864 9.176 -3.564 1.00 0.00 H new ATOM 1340 N SER A 89 -1.177 3.182 -8.346 1.00 0.00 N ATOM 1341 CA SER A 89 -1.580 2.242 -9.386 1.00 0.00 C ATOM 1342 C SER A 89 -3.043 2.449 -9.769 1.00 0.00 C ATOM 1343 O SER A 89 -3.911 1.664 -9.389 1.00 0.00 O ATOM 1344 CB SER A 89 -1.361 0.803 -8.914 1.00 0.00 C ATOM 1345 OG SER A 89 -2.068 -0.116 -9.730 1.00 0.00 O ATOM 0 H SER A 89 -1.214 2.804 -7.399 1.00 0.00 H new ATOM 0 HA SER A 89 -0.964 2.425 -10.266 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.297 0.568 -8.935 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.689 0.703 -7.879 1.00 0.00 H new ATOM 0 HG SER A 89 -3.032 0.008 -9.603 1.00 0.00 H new