USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 411 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 55 ASN : amide:sc= -8.03! C(o=-7.1!,f=-16!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 155:sc= 0.895 (180deg=-0.315) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.945 F(o=-2.5!,f=-0.95) USER MOD Single : A 34 HIS :FLIP no HE2:sc= -15.8! C(o=-18!,f=-16!) USER MOD Single : A 39 ASN : amide:sc= -0.345 K(o=-0.35,f=-2.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 78:sc= 0.103 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -161:sc= -0.0881 (180deg=-0.549) USER MOD Single : A 60 ASN : amide:sc= -0.0126 X(o=-0.013,f=0.041) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 73 GLN : amide:sc= -0.856 K(o=-0.86,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 6.926 2.257 -0.562 1.00 0.00 N ATOM 363 CA VAL A 26 6.901 3.710 -0.421 1.00 0.00 C ATOM 364 C VAL A 26 5.514 4.195 -0.018 1.00 0.00 C ATOM 365 O VAL A 26 5.371 5.039 0.867 1.00 0.00 O ATOM 366 CB VAL A 26 7.348 4.422 -1.722 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.226 4.491 -2.752 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.873 5.816 -1.409 1.00 0.00 C ATOM 0 HA VAL A 26 7.610 3.965 0.367 1.00 0.00 H new ATOM 0 HB VAL A 26 8.151 3.829 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.585 4.998 -3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.907 3.481 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.383 5.043 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.183 6.304 -2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.086 6.403 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.726 5.741 -0.734 1.00 0.00 H new ATOM 378 N LEU A 27 4.495 3.655 -0.677 1.00 0.00 N ATOM 379 CA LEU A 27 3.114 4.031 -0.390 1.00 0.00 C ATOM 380 C LEU A 27 2.825 3.940 1.103 1.00 0.00 C ATOM 381 O LEU A 27 2.313 4.884 1.698 1.00 0.00 O ATOM 382 CB LEU A 27 2.140 3.138 -1.161 1.00 0.00 C ATOM 383 CG LEU A 27 2.228 3.234 -2.684 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.204 2.317 -3.335 1.00 0.00 C ATOM 385 CD2 LEU A 27 2.037 4.671 -3.147 1.00 0.00 C ATOM 0 H LEU A 27 4.598 2.956 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 27 2.977 5.064 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.314 2.102 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.124 3.389 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 27 3.223 2.910 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.280 2.398 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.394 1.287 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.202 2.608 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.104 4.715 -4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.058 5.029 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.813 5.300 -2.710 1.00 0.00 H new ATOM 397 N GLY A 28 3.148 2.793 1.699 1.00 0.00 N ATOM 398 CA GLY A 28 2.904 2.597 3.118 1.00 0.00 C ATOM 399 C GLY A 28 3.663 3.586 3.983 1.00 0.00 C ATOM 400 O GLY A 28 3.143 4.049 5.000 1.00 0.00 O ATOM 0 H GLY A 28 3.574 1.997 1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.836 2.692 3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.191 1.583 3.395 1.00 0.00 H new ATOM 404 N GLU A 29 4.884 3.916 3.584 1.00 0.00 N ATOM 405 CA GLU A 29 5.696 4.863 4.337 1.00 0.00 C ATOM 406 C GLU A 29 5.083 6.257 4.260 1.00 0.00 C ATOM 407 O GLU A 29 4.832 6.895 5.283 1.00 0.00 O ATOM 408 CB GLU A 29 7.127 4.889 3.798 1.00 0.00 C ATOM 409 CG GLU A 29 8.028 3.825 4.409 1.00 0.00 C ATOM 410 CD GLU A 29 8.629 4.260 5.731 1.00 0.00 C ATOM 411 OE1 GLU A 29 7.892 4.829 6.562 1.00 0.00 O ATOM 412 OE2 GLU A 29 9.840 4.028 5.936 1.00 0.00 O ATOM 0 H GLU A 29 5.333 3.544 2.747 1.00 0.00 H new ATOM 0 HA GLU A 29 5.723 4.544 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.101 4.754 2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.560 5.872 3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.454 2.910 4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.830 3.588 3.710 1.00 0.00 H new ATOM 419 N ARG A 30 4.837 6.716 3.038 1.00 0.00 N ATOM 420 CA ARG A 30 4.243 8.028 2.815 1.00 0.00 C ATOM 421 C ARG A 30 2.789 8.063 3.286 1.00 0.00 C ATOM 422 O ARG A 30 2.202 9.137 3.428 1.00 0.00 O ATOM 423 CB ARG A 30 4.312 8.396 1.329 1.00 0.00 C ATOM 424 CG ARG A 30 5.705 8.269 0.732 1.00 0.00 C ATOM 425 CD ARG A 30 6.570 9.470 1.076 1.00 0.00 C ATOM 426 NE ARG A 30 5.987 10.722 0.593 1.00 0.00 N ATOM 427 CZ ARG A 30 5.738 11.781 1.363 1.00 0.00 C ATOM 428 NH1 ARG A 30 6.020 11.758 2.659 1.00 0.00 N ATOM 429 NH2 ARG A 30 5.204 12.874 0.831 1.00 0.00 N ATOM 0 H ARG A 30 5.041 6.196 2.184 1.00 0.00 H new ATOM 0 HA ARG A 30 4.812 8.755 3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.628 7.755 0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.963 9.421 1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.179 7.360 1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.630 8.171 -0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.701 9.524 2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.561 9.340 0.641 1.00 0.00 H new ATOM 0 HE ARG A 30 5.756 10.789 -0.398 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.432 10.924 3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.825 12.575 3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.985 12.902 -0.165 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.012 13.686 1.418 1.00 0.00 H new ATOM 443 N LEU A 31 2.209 6.887 3.517 1.00 0.00 N ATOM 444 CA LEU A 31 0.826 6.789 3.958 1.00 0.00 C ATOM 445 C LEU A 31 0.692 7.091 5.447 1.00 0.00 C ATOM 446 O LEU A 31 0.006 8.030 5.847 1.00 0.00 O ATOM 447 CB LEU A 31 0.301 5.382 3.678 1.00 0.00 C ATOM 448 CG LEU A 31 -0.929 5.310 2.778 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.614 4.551 1.499 1.00 0.00 C ATOM 450 CD2 LEU A 31 -2.087 4.656 3.516 1.00 0.00 C ATOM 0 H LEU A 31 2.679 5.989 3.405 1.00 0.00 H new ATOM 0 HA LEU A 31 0.242 7.526 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.100 4.799 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.063 4.905 4.629 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.219 6.326 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.504 4.511 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.186 5.060 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.298 3.537 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.957 4.612 2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.805 3.646 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.330 5.241 4.403 1.00 0.00 H new ATOM 462 N TYR A 32 1.353 6.279 6.259 1.00 0.00 N ATOM 463 CA TYR A 32 1.312 6.432 7.710 1.00 0.00 C ATOM 464 C TYR A 32 1.599 7.872 8.122 1.00 0.00 C ATOM 465 O TYR A 32 1.041 8.365 9.093 1.00 0.00 O ATOM 466 CB TYR A 32 2.335 5.480 8.343 1.00 0.00 C ATOM 467 CG TYR A 32 2.141 5.224 9.824 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.636 6.110 10.771 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.487 4.082 10.273 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.482 5.870 12.123 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.325 3.837 11.623 1.00 0.00 C ATOM 472 CZ TYR A 32 1.827 4.732 12.545 1.00 0.00 C ATOM 473 OH TYR A 32 1.674 4.488 13.891 1.00 0.00 O ATOM 0 H TYR A 32 1.929 5.501 5.937 1.00 0.00 H new ATOM 0 HA TYR A 32 0.311 6.184 8.063 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.296 4.526 7.817 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.334 5.889 8.188 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.150 7.002 10.445 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.099 3.375 9.555 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.873 6.570 12.846 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.808 2.949 11.955 1.00 0.00 H new ATOM 0 HH TYR A 32 1.190 3.646 14.018 1.00 0.00 H new ATOM 483 N ASN A 33 2.471 8.536 7.377 1.00 0.00 N ATOM 484 CA ASN A 33 2.834 9.921 7.669 1.00 0.00 C ATOM 485 C ASN A 33 1.645 10.857 7.508 1.00 0.00 C ATOM 486 O ASN A 33 1.457 11.779 8.303 1.00 0.00 O ATOM 487 CB ASN A 33 3.972 10.363 6.742 1.00 0.00 C ATOM 488 CG ASN A 33 4.213 11.862 6.766 1.00 0.00 C ATOM 489 OD1 ASN A 33 3.284 12.628 6.195 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 5.223 12.327 7.295 1.00 0.00 N flip ATOM 0 H ASN A 33 2.943 8.140 6.564 1.00 0.00 H new ATOM 0 HA ASN A 33 3.162 9.972 8.707 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.889 9.849 7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.742 10.054 5.722 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.909 11.703 7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.374 13.336 7.308 1.00 0.00 H new ATOM 497 N HIS A 34 0.862 10.639 6.468 1.00 0.00 N ATOM 498 CA HIS A 34 -0.284 11.490 6.216 1.00 0.00 C ATOM 499 C HIS A 34 -1.284 11.390 7.359 1.00 0.00 C ATOM 500 O HIS A 34 -1.873 12.384 7.779 1.00 0.00 O ATOM 501 CB HIS A 34 -0.948 11.109 4.884 1.00 0.00 C ATOM 502 CG HIS A 34 -1.787 9.866 4.924 1.00 0.00 C ATOM 503 ND1 HIS A 34 -2.815 9.531 5.728 1.00 0.00 N flip ATOM 504 CD2 HIS A 34 -1.625 8.803 4.059 1.00 0.00 C flip ATOM 505 CE1 HIS A 34 -3.254 8.290 5.352 1.00 0.00 C flip ATOM 506 NE2 HIS A 34 -2.520 7.869 4.343 1.00 0.00 N flip ATOM 0 H HIS A 34 0.997 9.888 5.791 1.00 0.00 H new ATOM 0 HA HIS A 34 0.058 12.523 6.150 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.573 11.940 4.556 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.170 10.979 4.132 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.198 10.101 6.482 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.885 8.742 3.274 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.068 7.746 5.808 1.00 0.00 H new ATOM 515 N ILE A 35 -1.488 10.169 7.817 1.00 0.00 N ATOM 516 CA ILE A 35 -2.445 9.878 8.882 1.00 0.00 C ATOM 517 C ILE A 35 -1.805 9.787 10.274 1.00 0.00 C ATOM 518 O ILE A 35 -2.515 9.789 11.276 1.00 0.00 O ATOM 519 CB ILE A 35 -3.228 8.575 8.578 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.040 8.117 9.792 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.289 7.472 8.114 1.00 0.00 C ATOM 522 CD1 ILE A 35 -4.987 6.980 9.483 1.00 0.00 C ATOM 0 H ILE A 35 -0.998 9.347 7.465 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.131 10.725 8.904 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.927 8.792 7.770 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.356 7.807 10.582 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.611 8.961 10.178 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.863 6.569 7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.774 7.790 7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.556 7.266 8.894 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.531 6.704 10.386 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.694 7.294 8.715 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.420 6.121 9.125 1.00 0.00 H new ATOM 534 N VAL A 36 -0.478 9.687 10.355 1.00 0.00 N ATOM 535 CA VAL A 36 0.172 9.580 11.660 1.00 0.00 C ATOM 536 C VAL A 36 -0.051 10.838 12.496 1.00 0.00 C ATOM 537 O VAL A 36 -0.462 10.757 13.650 1.00 0.00 O ATOM 538 CB VAL A 36 1.690 9.300 11.559 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.434 10.481 10.959 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.252 8.965 12.929 1.00 0.00 C ATOM 0 H VAL A 36 0.154 9.678 9.554 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.294 8.725 12.150 1.00 0.00 H new ATOM 0 HB VAL A 36 1.831 8.446 10.896 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.498 10.250 10.903 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.052 10.681 9.958 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.286 11.361 11.586 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.321 8.770 12.846 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.088 9.804 13.605 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.751 8.080 13.321 1.00 0.00 H new ATOM 550 N ALA A 37 0.209 12.000 11.903 1.00 0.00 N ATOM 551 CA ALA A 37 0.026 13.267 12.603 1.00 0.00 C ATOM 552 C ALA A 37 -1.453 13.621 12.704 1.00 0.00 C ATOM 553 O ALA A 37 -1.867 14.365 13.594 1.00 0.00 O ATOM 554 CB ALA A 37 0.787 14.377 11.895 1.00 0.00 C ATOM 0 H ALA A 37 0.545 12.090 10.944 1.00 0.00 H new ATOM 0 HA ALA A 37 0.422 13.159 13.613 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.641 15.316 12.429 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.849 14.133 11.873 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.417 14.478 10.875 1.00 0.00 H new ATOM 560 N ILE A 38 -2.247 13.090 11.778 1.00 0.00 N ATOM 561 CA ILE A 38 -3.684 13.363 11.762 1.00 0.00 C ATOM 562 C ILE A 38 -4.459 12.359 12.609 1.00 0.00 C ATOM 563 O ILE A 38 -5.049 12.718 13.628 1.00 0.00 O ATOM 564 CB ILE A 38 -4.242 13.358 10.328 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.314 14.145 9.402 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.646 13.946 10.305 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.069 15.565 9.860 1.00 0.00 C ATOM 0 H ILE A 38 -1.924 12.472 11.033 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.815 14.357 12.190 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.296 12.329 9.974 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.359 13.625 9.330 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.743 14.163 8.400 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.028 13.936 9.284 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.300 13.351 10.943 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.617 14.972 10.671 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.402 16.064 9.157 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.017 16.101 9.905 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.611 15.554 10.849 1.00 0.00 H new ATOM 579 N ASN A 39 -4.457 11.100 12.184 1.00 0.00 N ATOM 580 CA ASN A 39 -5.156 10.048 12.912 1.00 0.00 C ATOM 581 C ASN A 39 -4.185 8.940 13.323 1.00 0.00 C ATOM 582 O ASN A 39 -4.168 7.863 12.726 1.00 0.00 O ATOM 583 CB ASN A 39 -6.290 9.478 12.056 1.00 0.00 C ATOM 584 CG ASN A 39 -7.653 9.978 12.495 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.443 10.457 11.680 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.938 9.871 13.788 1.00 0.00 N ATOM 0 H ASN A 39 -3.980 10.784 11.340 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.584 10.478 13.817 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.125 9.748 11.013 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.271 8.390 12.110 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.840 10.192 14.140 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.255 9.468 14.429 1.00 0.00 H new ATOM 593 N PRO A 40 -3.360 9.202 14.353 1.00 0.00 N ATOM 594 CA PRO A 40 -2.377 8.232 14.847 1.00 0.00 C ATOM 595 C PRO A 40 -2.992 6.866 15.122 1.00 0.00 C ATOM 596 O PRO A 40 -2.458 5.840 14.701 1.00 0.00 O ATOM 597 CB PRO A 40 -1.882 8.848 16.154 1.00 0.00 C ATOM 598 CG PRO A 40 -2.140 10.310 16.029 1.00 0.00 C ATOM 599 CD PRO A 40 -3.323 10.466 15.112 1.00 0.00 C ATOM 0 HA PRO A 40 -1.590 8.056 14.113 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.410 8.428 17.010 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.821 8.648 16.305 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.346 10.751 17.004 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.267 10.823 15.625 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.244 10.621 15.673 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.204 11.324 14.451 1.00 0.00 H new ATOM 607 N ALA A 41 -4.115 6.859 15.832 1.00 0.00 N ATOM 608 CA ALA A 41 -4.795 5.615 16.169 1.00 0.00 C ATOM 609 C ALA A 41 -5.574 5.066 14.975 1.00 0.00 C ATOM 610 O ALA A 41 -6.722 4.649 15.107 1.00 0.00 O ATOM 611 CB ALA A 41 -5.717 5.822 17.361 1.00 0.00 C ATOM 0 H ALA A 41 -4.573 7.700 16.185 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.037 4.879 16.437 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.218 4.884 17.601 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.133 6.151 18.220 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.462 6.579 17.117 1.00 0.00 H new ATOM 617 N ALA A 42 -4.933 5.064 13.812 1.00 0.00 N ATOM 618 CA ALA A 42 -5.544 4.553 12.593 1.00 0.00 C ATOM 619 C ALA A 42 -4.471 4.209 11.570 1.00 0.00 C ATOM 620 O ALA A 42 -4.524 3.163 10.927 1.00 0.00 O ATOM 621 CB ALA A 42 -6.529 5.554 12.022 1.00 0.00 C ATOM 0 H ALA A 42 -3.983 5.414 13.689 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.094 3.644 12.838 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.972 5.150 11.112 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.314 5.749 12.752 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.010 6.484 11.790 1.00 0.00 H new ATOM 627 N ALA A 43 -3.500 5.114 11.420 1.00 0.00 N ATOM 628 CA ALA A 43 -2.393 4.935 10.477 1.00 0.00 C ATOM 629 C ALA A 43 -1.948 3.479 10.418 1.00 0.00 C ATOM 630 O ALA A 43 -1.875 2.882 9.344 1.00 0.00 O ATOM 631 CB ALA A 43 -1.227 5.830 10.866 1.00 0.00 C ATOM 0 H ALA A 43 -3.459 5.987 11.946 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.743 5.217 9.484 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.409 5.690 10.159 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.547 6.872 10.849 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.888 5.571 11.869 1.00 0.00 H new ATOM 637 N ALA A 44 -1.648 2.912 11.583 1.00 0.00 N ATOM 638 CA ALA A 44 -1.210 1.523 11.672 1.00 0.00 C ATOM 639 C ALA A 44 -2.156 0.597 10.916 1.00 0.00 C ATOM 640 O ALA A 44 -1.733 -0.396 10.326 1.00 0.00 O ATOM 641 CB ALA A 44 -1.107 1.095 13.128 1.00 0.00 C ATOM 0 H ALA A 44 -1.700 3.394 12.480 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.225 1.450 11.210 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.779 0.057 13.180 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.386 1.729 13.644 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.082 1.192 13.606 1.00 0.00 H new ATOM 647 N LYS A 45 -3.439 0.936 10.939 1.00 0.00 N ATOM 648 CA LYS A 45 -4.454 0.145 10.256 1.00 0.00 C ATOM 649 C LYS A 45 -4.544 0.533 8.785 1.00 0.00 C ATOM 650 O LYS A 45 -4.661 -0.325 7.911 1.00 0.00 O ATOM 651 CB LYS A 45 -5.814 0.335 10.931 1.00 0.00 C ATOM 652 CG LYS A 45 -5.876 -0.238 12.336 1.00 0.00 C ATOM 653 CD LYS A 45 -6.385 -1.670 12.334 1.00 0.00 C ATOM 654 CE LYS A 45 -5.987 -2.403 13.603 1.00 0.00 C ATOM 655 NZ LYS A 45 -6.257 -3.865 13.515 1.00 0.00 N ATOM 0 H LYS A 45 -3.802 1.756 11.425 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.168 -0.905 10.319 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.046 1.399 10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.584 -0.137 10.320 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.884 -0.204 12.787 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.528 0.380 12.953 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.471 -1.671 12.237 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.987 -2.198 11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.926 -2.242 13.796 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.532 -1.985 14.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.970 -4.325 14.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.273 -4.021 13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.717 -4.271 12.724 1.00 0.00 H new ATOM 669 N VAL A 46 -4.487 1.833 8.520 1.00 0.00 N ATOM 670 CA VAL A 46 -4.564 2.340 7.157 1.00 0.00 C ATOM 671 C VAL A 46 -3.362 1.895 6.332 1.00 0.00 C ATOM 672 O VAL A 46 -3.487 1.630 5.137 1.00 0.00 O ATOM 673 CB VAL A 46 -4.638 3.880 7.139 1.00 0.00 C ATOM 674 CG1 VAL A 46 -4.740 4.402 5.714 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.814 4.368 7.965 1.00 0.00 C ATOM 0 H VAL A 46 -4.388 2.555 9.233 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.473 1.929 6.718 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.719 4.267 7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.791 5.491 5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.864 4.087 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.639 4.003 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.849 5.457 7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.740 3.965 7.554 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.699 4.032 8.996 1.00 0.00 H new ATOM 685 N THR A 47 -2.199 1.833 6.968 1.00 0.00 N ATOM 686 CA THR A 47 -0.972 1.440 6.284 1.00 0.00 C ATOM 687 C THR A 47 -0.896 -0.073 6.090 1.00 0.00 C ATOM 688 O THR A 47 -0.675 -0.555 4.980 1.00 0.00 O ATOM 689 CB THR A 47 0.245 1.928 7.076 1.00 0.00 C ATOM 690 OG1 THR A 47 0.218 3.338 7.215 1.00 0.00 O ATOM 691 CG2 THR A 47 1.568 1.558 6.440 1.00 0.00 C ATOM 0 H THR A 47 -2.079 2.050 7.957 1.00 0.00 H new ATOM 0 HA THR A 47 -0.976 1.903 5.297 1.00 0.00 H new ATOM 0 HB THR A 47 0.175 1.430 8.043 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.421 3.585 7.916 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.385 1.935 7.055 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.644 0.473 6.362 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.629 1.998 5.445 1.00 0.00 H new ATOM 699 N GLY A 48 -1.058 -0.813 7.180 1.00 0.00 N ATOM 700 CA GLY A 48 -0.981 -2.261 7.118 1.00 0.00 C ATOM 701 C GLY A 48 -2.119 -2.863 6.331 1.00 0.00 C ATOM 702 O GLY A 48 -1.900 -3.650 5.409 1.00 0.00 O ATOM 0 H GLY A 48 -1.242 -0.435 8.109 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.034 -2.553 6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.988 -2.666 8.130 1.00 0.00 H new ATOM 706 N MET A 49 -3.333 -2.490 6.696 1.00 0.00 N ATOM 707 CA MET A 49 -4.510 -2.992 6.017 1.00 0.00 C ATOM 708 C MET A 49 -4.623 -2.365 4.636 1.00 0.00 C ATOM 709 O MET A 49 -4.795 -3.067 3.644 1.00 0.00 O ATOM 710 CB MET A 49 -5.777 -2.690 6.825 1.00 0.00 C ATOM 711 CG MET A 49 -5.612 -2.835 8.332 1.00 0.00 C ATOM 712 SD MET A 49 -5.753 -4.544 8.884 1.00 0.00 S ATOM 713 CE MET A 49 -4.236 -4.716 9.822 1.00 0.00 C ATOM 0 H MET A 49 -3.527 -1.841 7.459 1.00 0.00 H new ATOM 0 HA MET A 49 -4.410 -4.073 5.918 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.101 -1.673 6.603 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.573 -3.357 6.493 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.639 -2.441 8.627 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.366 -2.231 8.836 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.174 -5.724 10.231 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.382 -4.536 9.169 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.228 -3.992 10.637 1.00 0.00 H new ATOM 723 N LEU A 50 -4.540 -1.030 4.606 1.00 0.00 N ATOM 724 CA LEU A 50 -4.647 -0.228 3.376 1.00 0.00 C ATOM 725 C LEU A 50 -5.432 -0.925 2.264 1.00 0.00 C ATOM 726 O LEU A 50 -6.511 -0.471 1.882 1.00 0.00 O ATOM 727 CB LEU A 50 -3.263 0.138 2.846 1.00 0.00 C ATOM 728 CG LEU A 50 -3.252 1.261 1.804 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.083 2.448 2.272 1.00 0.00 C ATOM 730 CD2 LEU A 50 -1.827 1.695 1.507 1.00 0.00 C ATOM 0 H LEU A 50 -4.395 -0.467 5.444 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.197 0.670 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.634 0.434 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.810 -0.751 2.407 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.698 0.876 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.058 3.231 1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.113 2.130 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.673 2.834 3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.837 2.493 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.358 2.056 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.262 0.847 1.120 1.00 0.00 H new ATOM 742 N LEU A 51 -4.881 -2.011 1.739 1.00 0.00 N ATOM 743 CA LEU A 51 -5.528 -2.752 0.664 1.00 0.00 C ATOM 744 C LEU A 51 -6.673 -3.605 1.195 1.00 0.00 C ATOM 745 O LEU A 51 -6.550 -4.825 1.307 1.00 0.00 O ATOM 746 CB LEU A 51 -4.506 -3.634 -0.064 1.00 0.00 C ATOM 747 CG LEU A 51 -3.205 -2.936 -0.477 1.00 0.00 C ATOM 748 CD1 LEU A 51 -2.193 -2.957 0.663 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.623 -3.593 -1.720 1.00 0.00 C ATOM 0 H LEU A 51 -3.987 -2.399 2.040 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.941 -2.030 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.256 -4.477 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.977 -4.044 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.433 -1.896 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.278 -2.456 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.609 -2.441 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.968 -3.989 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.700 -3.086 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.413 -4.642 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.339 -3.522 -2.538 1.00 0.00 H new ATOM 761 N GLU A 52 -7.789 -2.958 1.514 1.00 0.00 N ATOM 762 CA GLU A 52 -8.960 -3.661 2.026 1.00 0.00 C ATOM 763 C GLU A 52 -9.953 -3.932 0.899 1.00 0.00 C ATOM 764 O GLU A 52 -9.718 -3.561 -0.250 1.00 0.00 O ATOM 765 CB GLU A 52 -9.635 -2.842 3.128 1.00 0.00 C ATOM 766 CG GLU A 52 -8.768 -2.642 4.360 1.00 0.00 C ATOM 767 CD GLU A 52 -8.536 -3.931 5.125 1.00 0.00 C ATOM 768 OE1 GLU A 52 -7.964 -4.874 4.538 1.00 0.00 O ATOM 769 OE2 GLU A 52 -8.925 -3.997 6.309 1.00 0.00 O ATOM 0 H GLU A 52 -7.907 -1.949 1.427 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.632 -4.613 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.910 -1.867 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.560 -3.338 3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.807 -2.224 4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.241 -1.913 5.018 1.00 0.00 H new ATOM 776 N MET A 53 -11.055 -4.590 1.229 1.00 0.00 N ATOM 777 CA MET A 53 -12.066 -4.913 0.229 1.00 0.00 C ATOM 778 C MET A 53 -12.610 -3.649 -0.434 1.00 0.00 C ATOM 779 O MET A 53 -12.471 -3.465 -1.642 1.00 0.00 O ATOM 780 CB MET A 53 -13.208 -5.703 0.869 1.00 0.00 C ATOM 781 CG MET A 53 -12.820 -7.121 1.250 1.00 0.00 C ATOM 782 SD MET A 53 -12.434 -8.143 -0.185 1.00 0.00 S ATOM 783 CE MET A 53 -14.037 -8.236 -0.975 1.00 0.00 C ATOM 0 H MET A 53 -11.272 -4.909 2.173 1.00 0.00 H new ATOM 0 HA MET A 53 -11.595 -5.524 -0.541 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.550 -5.176 1.760 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.049 -5.738 0.176 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.956 -7.092 1.914 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.636 -7.579 1.809 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.055 -9.081 -1.663 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.809 -8.369 -0.217 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.225 -7.315 -1.526 1.00 0.00 H new ATOM 793 N ASP A 54 -13.213 -2.771 0.360 1.00 0.00 N ATOM 794 CA ASP A 54 -13.757 -1.527 -0.165 1.00 0.00 C ATOM 795 C ASP A 54 -12.719 -0.413 -0.102 1.00 0.00 C ATOM 796 O ASP A 54 -12.291 0.110 -1.131 1.00 0.00 O ATOM 797 CB ASP A 54 -15.025 -1.131 0.589 1.00 0.00 C ATOM 798 CG ASP A 54 -14.821 -1.044 2.090 1.00 0.00 C ATOM 799 OD1 ASP A 54 -14.329 -2.027 2.681 1.00 0.00 O ATOM 800 OD2 ASP A 54 -15.152 0.011 2.673 1.00 0.00 O ATOM 0 H ASP A 54 -13.336 -2.898 1.365 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.019 -1.685 -1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.375 -0.167 0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.809 -1.858 0.376 1.00 0.00 H new ATOM 805 N ASN A 55 -12.317 -0.053 1.111 1.00 0.00 N ATOM 806 CA ASN A 55 -11.332 0.998 1.317 1.00 0.00 C ATOM 807 C ASN A 55 -10.084 0.764 0.468 1.00 0.00 C ATOM 808 O ASN A 55 -9.366 1.707 0.130 1.00 0.00 O ATOM 809 CB ASN A 55 -10.951 1.061 2.796 1.00 0.00 C ATOM 810 CG ASN A 55 -10.016 2.211 3.100 1.00 0.00 C ATOM 811 OD1 ASN A 55 -10.118 3.278 2.500 1.00 0.00 O ATOM 812 ND2 ASN A 55 -9.096 1.994 4.032 1.00 0.00 N ATOM 0 H ASN A 55 -12.662 -0.478 1.972 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.774 1.946 1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.854 1.161 3.398 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.477 0.124 3.087 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.435 2.731 4.277 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.051 1.090 4.503 1.00 0.00 H new ATOM 819 N GLY A 56 -9.828 -0.496 0.131 1.00 0.00 N ATOM 820 CA GLY A 56 -8.664 -0.828 -0.670 1.00 0.00 C ATOM 821 C GLY A 56 -8.800 -0.396 -2.117 1.00 0.00 C ATOM 822 O GLY A 56 -8.014 0.418 -2.598 1.00 0.00 O ATOM 0 H GLY A 56 -10.406 -1.293 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.784 -0.354 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.498 -1.905 -0.632 1.00 0.00 H new ATOM 826 N GLU A 57 -9.790 -0.948 -2.822 1.00 0.00 N ATOM 827 CA GLU A 57 -10.005 -0.613 -4.235 1.00 0.00 C ATOM 828 C GLU A 57 -9.670 0.849 -4.526 1.00 0.00 C ATOM 829 O GLU A 57 -8.929 1.151 -5.463 1.00 0.00 O ATOM 830 CB GLU A 57 -11.451 -0.878 -4.635 1.00 0.00 C ATOM 831 CG GLU A 57 -11.916 -2.296 -4.354 1.00 0.00 C ATOM 832 CD GLU A 57 -11.120 -3.338 -5.113 1.00 0.00 C ATOM 833 OE1 GLU A 57 -11.439 -3.584 -6.295 1.00 0.00 O ATOM 834 OE2 GLU A 57 -10.179 -3.911 -4.524 1.00 0.00 O ATOM 0 H GLU A 57 -10.452 -1.625 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.338 -1.248 -4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.099 -0.181 -4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.567 -0.672 -5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.838 -2.494 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.969 -2.387 -4.619 1.00 0.00 H new ATOM 841 N ILE A 58 -10.217 1.746 -3.716 1.00 0.00 N ATOM 842 CA ILE A 58 -9.976 3.172 -3.881 1.00 0.00 C ATOM 843 C ILE A 58 -8.482 3.476 -3.804 1.00 0.00 C ATOM 844 O ILE A 58 -7.955 4.246 -4.607 1.00 0.00 O ATOM 845 CB ILE A 58 -10.737 3.985 -2.814 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.245 3.785 -2.982 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.378 5.465 -2.899 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.037 4.096 -1.730 1.00 0.00 C ATOM 0 H ILE A 58 -10.832 1.510 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.344 3.463 -4.865 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.442 3.626 -1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.600 4.420 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.436 2.753 -3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.927 6.017 -2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.307 5.590 -2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.642 5.847 -3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.098 3.933 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.709 3.444 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.875 5.136 -1.446 1.00 0.00 H new ATOM 860 N LEU A 59 -7.812 2.860 -2.830 1.00 0.00 N ATOM 861 CA LEU A 59 -6.375 3.042 -2.628 1.00 0.00 C ATOM 862 C LEU A 59 -5.636 3.167 -3.957 1.00 0.00 C ATOM 863 O LEU A 59 -4.653 3.898 -4.069 1.00 0.00 O ATOM 864 CB LEU A 59 -5.813 1.862 -1.832 1.00 0.00 C ATOM 865 CG LEU A 59 -5.358 0.658 -2.666 1.00 0.00 C ATOM 866 CD1 LEU A 59 -3.953 0.878 -3.211 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.406 -0.611 -1.832 1.00 0.00 C ATOM 0 H LEU A 59 -8.248 2.224 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.226 3.967 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.966 2.214 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.574 1.527 -1.127 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.040 0.550 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.651 0.011 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.943 1.767 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.258 1.014 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.080 -1.457 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.746 -0.506 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.426 -0.782 -1.488 1.00 0.00 H new ATOM 879 N ASN A 60 -6.121 2.444 -4.960 1.00 0.00 N ATOM 880 CA ASN A 60 -5.514 2.463 -6.287 1.00 0.00 C ATOM 881 C ASN A 60 -5.299 3.893 -6.796 1.00 0.00 C ATOM 882 O ASN A 60 -4.535 4.111 -7.734 1.00 0.00 O ATOM 883 CB ASN A 60 -6.381 1.684 -7.277 1.00 0.00 C ATOM 884 CG ASN A 60 -5.585 1.176 -8.465 1.00 0.00 C ATOM 885 OD1 ASN A 60 -5.186 1.951 -9.334 1.00 0.00 O ATOM 886 ND2 ASN A 60 -5.350 -0.131 -8.504 1.00 0.00 N ATOM 0 H ASN A 60 -6.935 1.835 -4.879 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.537 1.987 -6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.844 0.840 -6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.189 2.324 -7.631 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.819 -0.531 -9.277 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.701 -0.735 -7.760 1.00 0.00 H new ATOM 893 N LEU A 61 -5.978 4.863 -6.182 1.00 0.00 N ATOM 894 CA LEU A 61 -5.848 6.257 -6.591 1.00 0.00 C ATOM 895 C LEU A 61 -5.501 7.162 -5.408 1.00 0.00 C ATOM 896 O LEU A 61 -6.184 8.159 -5.173 1.00 0.00 O ATOM 897 CB LEU A 61 -7.149 6.738 -7.239 1.00 0.00 C ATOM 898 CG LEU A 61 -7.661 5.867 -8.390 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.164 5.656 -8.272 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.309 6.501 -9.727 1.00 0.00 C ATOM 0 H LEU A 61 -6.619 4.708 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.033 6.314 -7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.921 6.790 -6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.999 7.752 -7.610 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.176 4.893 -8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.510 5.035 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.389 5.161 -7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.671 6.621 -8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.679 5.872 -10.537 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.769 7.487 -9.795 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.227 6.599 -9.809 1.00 0.00 H new ATOM 912 N LEU A 62 -4.453 6.802 -4.660 1.00 0.00 N ATOM 913 CA LEU A 62 -4.021 7.575 -3.483 1.00 0.00 C ATOM 914 C LEU A 62 -4.295 9.073 -3.639 1.00 0.00 C ATOM 915 O LEU A 62 -3.454 9.824 -4.133 1.00 0.00 O ATOM 916 CB LEU A 62 -2.532 7.346 -3.222 1.00 0.00 C ATOM 917 CG LEU A 62 -2.185 5.987 -2.619 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.840 5.504 -3.139 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.179 6.057 -1.098 1.00 0.00 C ATOM 0 H LEU A 62 -3.884 5.977 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.605 7.221 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.992 7.458 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.171 8.127 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.950 5.272 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.607 4.534 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.882 5.410 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.066 6.221 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.929 5.078 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.438 6.786 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.165 6.357 -0.744 1.00 0.00 H new ATOM 931 N ASP A 63 -5.489 9.492 -3.227 1.00 0.00 N ATOM 932 CA ASP A 63 -5.898 10.889 -3.328 1.00 0.00 C ATOM 933 C ASP A 63 -5.877 11.578 -1.967 1.00 0.00 C ATOM 934 O ASP A 63 -5.755 10.925 -0.934 1.00 0.00 O ATOM 935 CB ASP A 63 -7.299 10.973 -3.939 1.00 0.00 C ATOM 936 CG ASP A 63 -7.286 11.530 -5.348 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.732 10.863 -6.248 1.00 0.00 O ATOM 938 OD2 ASP A 63 -7.834 12.634 -5.555 1.00 0.00 O ATOM 0 H ASP A 63 -6.194 8.879 -2.818 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.186 11.406 -3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.748 9.980 -3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.929 11.601 -3.309 1.00 0.00 H new ATOM 943 N THR A 64 -6.004 12.900 -1.966 1.00 0.00 N ATOM 944 CA THR A 64 -6.002 13.649 -0.717 1.00 0.00 C ATOM 945 C THR A 64 -7.320 13.452 0.024 1.00 0.00 C ATOM 946 O THR A 64 -7.321 13.100 1.198 1.00 0.00 O ATOM 947 CB THR A 64 -5.760 15.139 -0.966 1.00 0.00 C ATOM 948 OG1 THR A 64 -4.997 15.338 -2.143 1.00 0.00 O ATOM 949 CG2 THR A 64 -5.034 15.820 0.175 1.00 0.00 C ATOM 0 H THR A 64 -6.108 13.469 -2.806 1.00 0.00 H new ATOM 0 HA THR A 64 -5.187 13.268 -0.101 1.00 0.00 H new ATOM 0 HB THR A 64 -6.751 15.581 -1.065 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.856 16.298 -2.283 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.892 16.875 -0.062 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.623 15.729 1.087 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.063 15.348 0.322 1.00 0.00 H new ATOM 957 N PRO A 65 -8.463 13.670 -0.648 1.00 0.00 N ATOM 958 CA PRO A 65 -9.771 13.501 -0.020 1.00 0.00 C ATOM 959 C PRO A 65 -10.156 12.031 0.151 1.00 0.00 C ATOM 960 O PRO A 65 -10.230 11.531 1.269 1.00 0.00 O ATOM 961 CB PRO A 65 -10.730 14.204 -0.980 1.00 0.00 C ATOM 962 CG PRO A 65 -10.051 14.205 -2.309 1.00 0.00 C ATOM 963 CD PRO A 65 -8.567 14.098 -2.057 1.00 0.00 C ATOM 0 HA PRO A 65 -9.788 13.912 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.685 13.682 -1.030 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.940 15.221 -0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.398 13.370 -2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.282 15.118 -2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.101 13.375 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.067 15.052 -2.220 1.00 0.00 H new ATOM 971 N GLY A 66 -10.413 11.350 -0.965 1.00 0.00 N ATOM 972 CA GLY A 66 -10.808 9.949 -0.921 1.00 0.00 C ATOM 973 C GLY A 66 -9.966 9.116 0.025 1.00 0.00 C ATOM 974 O GLY A 66 -10.491 8.503 0.953 1.00 0.00 O ATOM 0 H GLY A 66 -10.354 11.745 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.853 9.883 -0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.739 9.528 -1.924 1.00 0.00 H new ATOM 978 N LEU A 67 -8.659 9.091 -0.210 1.00 0.00 N ATOM 979 CA LEU A 67 -7.748 8.326 0.629 1.00 0.00 C ATOM 980 C LEU A 67 -7.891 8.728 2.094 1.00 0.00 C ATOM 981 O LEU A 67 -8.392 7.959 2.911 1.00 0.00 O ATOM 982 CB LEU A 67 -6.314 8.560 0.151 1.00 0.00 C ATOM 983 CG LEU A 67 -5.540 7.317 -0.294 1.00 0.00 C ATOM 984 CD1 LEU A 67 -4.945 6.593 0.903 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.428 6.391 -1.115 1.00 0.00 C ATOM 0 H LEU A 67 -8.208 9.592 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.993 7.267 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.341 9.263 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.758 9.040 0.956 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.716 7.638 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.400 5.713 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.263 7.261 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.745 6.286 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.856 5.515 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.281 6.077 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.784 6.918 -2.000 1.00 0.00 H new ATOM 997 N LEU A 68 -7.447 9.937 2.424 1.00 0.00 N ATOM 998 CA LEU A 68 -7.523 10.428 3.801 1.00 0.00 C ATOM 999 C LEU A 68 -8.898 10.190 4.423 1.00 0.00 C ATOM 1000 O LEU A 68 -9.016 10.062 5.641 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.173 11.917 3.860 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.757 12.243 4.350 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.735 11.285 3.751 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.399 13.681 4.008 1.00 0.00 C ATOM 0 H LEU A 68 -7.033 10.594 1.763 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.795 9.862 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.301 12.342 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.889 12.415 4.514 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.737 12.123 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.740 11.540 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.978 10.264 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.754 11.365 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.391 13.899 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.442 13.820 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.106 14.356 4.489 1.00 0.00 H new ATOM 1016 N ASP A 69 -9.938 10.128 3.594 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.286 9.900 4.103 1.00 0.00 C ATOM 1018 C ASP A 69 -11.534 8.415 4.324 1.00 0.00 C ATOM 1019 O ASP A 69 -11.790 7.979 5.442 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.333 10.468 3.144 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.383 11.291 3.862 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -13.134 12.490 4.106 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.456 10.736 4.180 1.00 0.00 O ATOM 0 H ASP A 69 -9.874 10.231 2.581 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.374 10.416 5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.839 11.087 2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.817 9.649 2.612 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.441 7.634 3.257 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.650 6.196 3.355 1.00 0.00 C ATOM 1030 C ALA A 70 -10.555 5.536 4.192 1.00 0.00 C ATOM 1031 O ALA A 70 -10.685 4.384 4.602 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.706 5.579 1.967 1.00 0.00 C ATOM 0 H ALA A 70 -11.223 7.969 2.318 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.603 6.023 3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.863 4.504 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.528 6.022 1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.767 5.769 1.446 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.476 6.273 4.441 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.361 5.760 5.223 1.00 0.00 C ATOM 1040 C LYS A 71 -8.611 5.913 6.722 1.00 0.00 C ATOM 1041 O LYS A 71 -8.536 4.944 7.474 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.072 6.498 4.845 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.426 6.058 3.528 1.00 0.00 C ATOM 1044 CD LYS A 71 -6.571 4.568 3.241 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.445 4.323 2.023 1.00 0.00 C ATOM 1046 NZ LYS A 71 -7.345 2.921 1.534 1.00 0.00 N ATOM 0 H LYS A 71 -9.352 7.230 4.110 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.260 4.698 4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.288 7.565 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.348 6.364 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.872 6.622 2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.367 6.313 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.586 4.129 3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.004 4.069 4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.483 4.547 2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.154 5.006 1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.212 2.671 1.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.526 2.832 0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.227 2.279 2.343 1.00 0.00 H new ATOM 1060 N VAL A 72 -8.898 7.142 7.152 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.140 7.416 8.565 1.00 0.00 C ATOM 1062 C VAL A 72 -10.376 6.686 9.075 1.00 0.00 C ATOM 1063 O VAL A 72 -10.354 6.108 10.160 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.304 8.925 8.838 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -7.976 9.644 8.669 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.368 9.529 7.931 1.00 0.00 C ATOM 0 H VAL A 72 -8.968 7.958 6.544 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.262 7.052 9.098 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.633 9.052 9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.111 10.708 8.865 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.249 9.235 9.370 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.615 9.506 7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.465 10.594 8.143 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.079 9.391 6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.323 9.035 8.111 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.450 6.720 8.299 1.00 0.00 N ATOM 1077 CA GLN A 73 -12.692 6.067 8.686 1.00 0.00 C ATOM 1078 C GLN A 73 -12.507 4.556 8.802 1.00 0.00 C ATOM 1079 O GLN A 73 -12.837 3.958 9.827 1.00 0.00 O ATOM 1080 CB GLN A 73 -13.783 6.384 7.666 1.00 0.00 C ATOM 1081 CG GLN A 73 -13.878 7.862 7.316 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.261 8.725 8.502 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -14.374 8.242 9.627 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -14.466 10.014 8.250 1.00 0.00 N ATOM 0 H GLN A 73 -11.486 7.194 7.396 1.00 0.00 H new ATOM 0 HA GLN A 73 -12.988 6.447 9.664 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.594 5.815 6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.744 6.049 8.058 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.919 8.199 6.922 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.614 7.996 6.523 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.361 10.371 7.300 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.729 10.646 9.006 1.00 0.00 H new ATOM 1093 N GLU A 74 -11.979 3.946 7.746 1.00 0.00 N ATOM 1094 CA GLU A 74 -11.748 2.505 7.728 1.00 0.00 C ATOM 1095 C GLU A 74 -10.914 2.064 8.927 1.00 0.00 C ATOM 1096 O GLU A 74 -11.150 0.999 9.500 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.050 2.100 6.425 1.00 0.00 C ATOM 1098 CG GLU A 74 -10.602 0.645 6.391 1.00 0.00 C ATOM 1099 CD GLU A 74 -9.196 0.456 6.926 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -8.603 1.447 7.403 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -8.686 -0.682 6.866 1.00 0.00 O ATOM 0 H GLU A 74 -11.703 4.427 6.890 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.716 2.007 7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.727 2.281 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.181 2.741 6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.294 0.042 6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.649 0.278 5.366 1.00 0.00 H new ATOM 1108 N ALA A 75 -9.937 2.881 9.303 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.072 2.561 10.432 1.00 0.00 C ATOM 1110 C ALA A 75 -9.700 2.994 11.754 1.00 0.00 C ATOM 1111 O ALA A 75 -9.499 2.351 12.785 1.00 0.00 O ATOM 1112 CB ALA A 75 -7.706 3.203 10.257 1.00 0.00 C ATOM 0 H ALA A 75 -9.724 3.767 8.844 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.948 1.478 10.459 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.075 2.953 11.109 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.244 2.832 9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.818 4.285 10.194 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.464 4.084 11.723 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.119 4.589 12.925 1.00 0.00 C ATOM 1120 C LEU A 76 -12.269 3.674 13.324 1.00 0.00 C ATOM 1121 O LEU A 76 -12.523 3.455 14.509 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.637 6.013 12.702 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.655 7.132 13.058 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.334 8.489 12.951 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.091 6.927 14.456 1.00 0.00 C ATOM 0 H LEU A 76 -10.644 4.632 10.882 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.385 4.609 13.731 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.918 6.119 11.654 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.544 6.148 13.291 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.828 7.102 12.348 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.622 9.273 13.207 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.688 8.639 11.931 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.180 8.528 13.638 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.395 7.733 14.689 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.905 6.929 15.181 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.568 5.972 14.501 1.00 0.00 H new ATOM 1137 N GLU A 77 -12.954 3.135 12.322 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.073 2.232 12.558 1.00 0.00 C ATOM 1139 C GLU A 77 -13.569 0.885 13.057 1.00 0.00 C ATOM 1140 O GLU A 77 -14.067 0.353 14.049 1.00 0.00 O ATOM 1141 CB GLU A 77 -14.885 2.047 11.272 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.237 1.375 11.478 1.00 0.00 C ATOM 1143 CD GLU A 77 -16.951 1.848 12.732 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.716 1.255 13.805 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -17.741 2.809 12.637 1.00 0.00 O ATOM 0 H GLU A 77 -12.753 3.308 11.337 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.717 2.669 13.321 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.043 3.022 10.812 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.300 1.454 10.569 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.869 1.570 10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.095 0.296 11.533 1.00 0.00 H new ATOM 1152 N VAL A 78 -12.570 0.341 12.366 1.00 0.00 N ATOM 1153 CA VAL A 78 -11.988 -0.942 12.738 1.00 0.00 C ATOM 1154 C VAL A 78 -11.351 -0.887 14.129 1.00 0.00 C ATOM 1155 O VAL A 78 -11.023 -1.920 14.709 1.00 0.00 O ATOM 1156 CB VAL A 78 -10.935 -1.404 11.711 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -9.722 -0.488 11.732 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -10.528 -2.848 11.967 1.00 0.00 C ATOM 0 H VAL A 78 -12.147 0.772 11.544 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.806 -1.663 12.753 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.382 -1.350 10.719 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.992 -0.833 10.999 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.029 0.529 11.486 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.273 -0.501 12.725 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.784 -3.152 11.230 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.104 -2.935 12.968 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.403 -3.492 11.887 1.00 0.00 H new