USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 408 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 Single : A 35 GLN : amide:sc= 0.467 K(o=0.47,f=-2.8!) USER MOD Single : A 42 THR OG1 : rot -39:sc= 1.1 USER MOD Single : A 47 TYR OH : rot 65:sc= 2.06 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -44:sc= 0.0363 USER MOD Single : A 61 CYS SG : rot -72:sc= -10.9! USER MOD Single : A 64 GLN : amide:sc= -1.64! K(o=-1.6!,f=-0.67) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.95 K(o=-2,f=-1.2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 375 N LEU A 31 8.966 3.458 -1.762 1.00 0.00 N ATOM 376 CA LEU A 31 7.655 3.880 -1.265 1.00 0.00 C ATOM 377 C LEU A 31 7.760 5.260 -0.615 1.00 0.00 C ATOM 378 O LEU A 31 8.508 5.447 0.350 1.00 0.00 O ATOM 379 CB LEU A 31 7.114 2.845 -0.258 1.00 0.00 C ATOM 380 CG LEU A 31 6.276 1.667 -0.824 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.355 2.095 -1.960 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.165 0.515 -1.272 1.00 0.00 C ATOM 0 HA LEU A 31 6.960 3.944 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.963 2.425 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.501 3.374 0.472 1.00 0.00 H new ATOM 0 HG LEU A 31 5.645 1.323 -0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.793 1.232 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.662 2.855 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.950 2.504 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.545 -0.292 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.844 0.861 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.743 0.150 -0.423 1.00 0.00 H new ATOM 394 N TRP A 32 7.006 6.223 -1.162 1.00 0.00 N ATOM 395 CA TRP A 32 7.012 7.608 -0.667 1.00 0.00 C ATOM 396 C TRP A 32 5.615 8.228 -0.763 1.00 0.00 C ATOM 397 O TRP A 32 4.795 7.784 -1.566 1.00 0.00 O ATOM 398 CB TRP A 32 8.044 8.455 -1.454 1.00 0.00 C ATOM 399 CG TRP A 32 7.739 8.622 -2.924 1.00 0.00 C ATOM 400 CD1 TRP A 32 7.780 7.652 -3.883 1.00 0.00 C ATOM 401 CD2 TRP A 32 7.347 9.832 -3.593 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.427 8.179 -5.101 1.00 0.00 N ATOM 403 CE2 TRP A 32 7.162 9.514 -4.950 1.00 0.00 C ATOM 404 CE3 TRP A 32 7.131 11.153 -3.177 1.00 0.00 C ATOM 405 CZ2 TRP A 32 6.773 10.462 -5.893 1.00 0.00 C ATOM 406 CZ3 TRP A 32 6.747 12.093 -4.114 1.00 0.00 C ATOM 407 CH2 TRP A 32 6.571 11.743 -5.459 1.00 0.00 C ATOM 0 H TRP A 32 6.380 6.068 -1.952 1.00 0.00 H new ATOM 0 HA TRP A 32 7.302 7.597 0.384 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.107 9.442 -0.996 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.026 7.993 -1.351 1.00 0.00 H new ATOM 0 HD1 TRP A 32 8.050 6.621 -3.709 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.371 7.660 -5.977 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.262 11.431 -2.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.636 10.195 -6.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.580 13.114 -3.804 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.270 12.500 -6.168 1.00 0.00 H new ATOM 418 N GLU A 33 5.366 9.279 0.038 1.00 0.00 N ATOM 419 CA GLU A 33 4.065 9.970 0.052 1.00 0.00 C ATOM 420 C GLU A 33 3.749 10.594 -1.315 1.00 0.00 C ATOM 421 O GLU A 33 4.458 11.494 -1.781 1.00 0.00 O ATOM 422 CB GLU A 33 4.046 11.050 1.142 1.00 0.00 C ATOM 423 CG GLU A 33 3.849 10.504 2.549 1.00 0.00 C ATOM 424 CD GLU A 33 3.340 11.555 3.516 1.00 0.00 C ATOM 425 OE1 GLU A 33 2.139 11.894 3.447 1.00 0.00 O1- ATOM 426 OE2 GLU A 33 4.142 12.042 4.340 1.00 0.00 O ATOM 0 H GLU A 33 6.051 9.669 0.686 1.00 0.00 H new ATOM 0 HA GLU A 33 3.296 9.229 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.984 11.605 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.248 11.759 0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.144 9.673 2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.795 10.106 2.916 1.00 0.00 H new ATOM 433 N GLY A 34 2.682 10.090 -1.946 1.00 0.00 N ATOM 434 CA GLY A 34 2.272 10.569 -3.258 1.00 0.00 C ATOM 435 C GLY A 34 2.770 9.673 -4.378 1.00 0.00 C ATOM 436 O GLY A 34 2.937 10.130 -5.513 1.00 0.00 O ATOM 0 H GLY A 34 2.091 9.351 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.184 10.627 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.651 11.580 -3.408 1.00 0.00 H new ATOM 440 N GLN A 35 3.005 8.396 -4.051 1.00 0.00 N ATOM 441 CA GLN A 35 3.484 7.417 -5.017 1.00 0.00 C ATOM 442 C GLN A 35 2.314 6.560 -5.493 1.00 0.00 C ATOM 443 O GLN A 35 1.683 5.865 -4.690 1.00 0.00 O ATOM 444 CB GLN A 35 4.606 6.558 -4.373 1.00 0.00 C ATOM 445 CG GLN A 35 4.838 5.173 -5.000 1.00 0.00 C ATOM 446 CD GLN A 35 6.097 5.092 -5.849 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.452 6.029 -6.567 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.774 3.952 -5.776 1.00 0.00 N ATOM 0 H GLN A 35 2.867 8.020 -3.113 1.00 0.00 H new ATOM 0 HA GLN A 35 3.907 7.919 -5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.539 7.119 -4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.372 6.422 -3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.897 4.429 -4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.977 4.914 -5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.445 3.201 -5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.623 3.827 -6.327 1.00 0.00 H new ATOM 457 N ASP A 36 2.023 6.619 -6.803 1.00 0.00 N ATOM 458 CA ASP A 36 0.935 5.822 -7.380 1.00 0.00 C ATOM 459 C ASP A 36 1.350 4.356 -7.382 1.00 0.00 C ATOM 460 O ASP A 36 2.254 3.942 -8.118 1.00 0.00 O ATOM 461 CB ASP A 36 0.563 6.294 -8.791 1.00 0.00 C ATOM 462 CG ASP A 36 -0.049 7.682 -8.801 1.00 0.00 C ATOM 463 OD1 ASP A 36 0.716 8.668 -8.743 1.00 0.00 O ATOM 464 OD2 ASP A 36 -1.292 7.784 -8.868 1.00 0.00 O1- ATOM 0 H ASP A 36 2.521 7.204 -7.474 1.00 0.00 H new ATOM 0 HA ASP A 36 0.042 5.951 -6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.455 6.290 -9.418 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.140 5.588 -9.232 1.00 0.00 H new ATOM 469 N VAL A 37 0.679 3.594 -6.534 1.00 0.00 N ATOM 470 CA VAL A 37 0.970 2.181 -6.343 1.00 0.00 C ATOM 471 C VAL A 37 -0.175 1.284 -6.788 1.00 0.00 C ATOM 472 O VAL A 37 -1.296 1.746 -7.026 1.00 0.00 O ATOM 473 CB VAL A 37 1.269 1.868 -4.844 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.603 2.467 -4.420 1.00 0.00 C ATOM 475 CG2 VAL A 37 0.130 2.335 -3.914 1.00 0.00 C ATOM 0 H VAL A 37 -0.087 3.939 -5.955 1.00 0.00 H new ATOM 0 HA VAL A 37 1.844 1.973 -6.960 1.00 0.00 H new ATOM 0 HB VAL A 37 1.334 0.784 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.789 2.235 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.401 2.047 -5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.575 3.548 -4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.383 2.096 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.004 3.412 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.795 1.827 -4.188 1.00 0.00 H new ATOM 485 N LEU A 38 0.138 -0.003 -6.895 1.00 0.00 N ATOM 486 CA LEU A 38 -0.834 -1.007 -7.259 1.00 0.00 C ATOM 487 C LEU A 38 -0.924 -2.027 -6.147 1.00 0.00 C ATOM 488 O LEU A 38 -0.073 -2.916 -6.006 1.00 0.00 O ATOM 489 CB LEU A 38 -0.464 -1.643 -8.600 1.00 0.00 C ATOM 490 CG LEU A 38 -0.589 -0.704 -9.804 1.00 0.00 C ATOM 491 CD1 LEU A 38 0.082 -1.304 -11.027 1.00 0.00 C ATOM 492 CD2 LEU A 38 -2.050 -0.391 -10.085 1.00 0.00 C ATOM 0 H LEU A 38 1.075 -0.371 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.817 -0.553 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.562 -2.007 -8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.102 -2.511 -8.764 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.080 0.230 -9.566 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.019 -0.620 -11.870 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.139 -1.469 -10.818 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.392 -2.255 -11.272 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.120 0.277 -10.943 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.585 -1.316 -10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.493 0.090 -9.213 1.00 0.00 H new ATOM 504 N ALA A 39 -1.974 -1.864 -5.352 1.00 0.00 N ATOM 505 CA ALA A 39 -2.246 -2.727 -4.221 1.00 0.00 C ATOM 506 C ALA A 39 -3.122 -3.889 -4.672 1.00 0.00 C ATOM 507 O ALA A 39 -4.329 -3.741 -4.886 1.00 0.00 O ATOM 508 CB ALA A 39 -2.901 -1.910 -3.112 1.00 0.00 C ATOM 0 H ALA A 39 -2.663 -1.122 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.321 -3.145 -3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.108 -2.555 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.230 -1.108 -2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.834 -1.482 -3.478 1.00 0.00 H new ATOM 514 N ARG A 40 -2.480 -5.041 -4.847 1.00 0.00 N ATOM 515 CA ARG A 40 -3.145 -6.258 -5.301 1.00 0.00 C ATOM 516 C ARG A 40 -4.080 -6.823 -4.228 1.00 0.00 C ATOM 517 O ARG A 40 -3.681 -6.990 -3.071 1.00 0.00 O ATOM 518 CB ARG A 40 -2.088 -7.293 -5.666 1.00 0.00 C ATOM 519 CG ARG A 40 -2.271 -7.891 -7.053 1.00 0.00 C ATOM 520 CD ARG A 40 -1.496 -9.188 -7.228 1.00 0.00 C ATOM 521 NE ARG A 40 -0.054 -8.957 -7.381 1.00 0.00 N ATOM 522 CZ ARG A 40 0.796 -9.801 -7.982 1.00 0.00 C ATOM 523 NH1 ARG A 40 0.374 -10.952 -8.504 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 2.083 -9.487 -8.061 1.00 0.00 N ATOM 0 H ARG A 40 -1.481 -5.157 -4.677 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.753 -6.016 -6.173 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.103 -6.830 -5.607 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.108 -8.095 -4.929 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.330 -8.077 -7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.944 -7.171 -7.803 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.669 -9.832 -6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.872 -9.719 -8.103 1.00 0.00 H new ATOM 0 HE ARG A 40 0.329 -8.091 -7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.613 -11.205 -8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.038 -11.580 -8.957 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.419 -8.609 -7.666 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.736 -10.124 -8.517 1.00 0.00 H new ATOM 538 N TRP A 41 -5.326 -7.104 -4.627 1.00 0.00 N ATOM 539 CA TRP A 41 -6.334 -7.650 -3.718 1.00 0.00 C ATOM 540 C TRP A 41 -6.302 -9.185 -3.731 1.00 0.00 C ATOM 541 O TRP A 41 -5.884 -9.798 -4.717 1.00 0.00 O ATOM 542 CB TRP A 41 -7.722 -7.092 -4.080 1.00 0.00 C ATOM 543 CG TRP A 41 -8.814 -7.363 -3.063 1.00 0.00 C ATOM 544 CD1 TRP A 41 -8.696 -7.439 -1.697 1.00 0.00 C ATOM 545 CD2 TRP A 41 -10.198 -7.581 -3.350 1.00 0.00 C ATOM 546 NE1 TRP A 41 -9.921 -7.699 -1.131 1.00 0.00 N ATOM 547 CE2 TRP A 41 -10.859 -7.789 -2.125 1.00 0.00 C ATOM 548 CE3 TRP A 41 -10.938 -7.621 -4.529 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -12.229 -8.033 -2.051 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -12.297 -7.862 -4.458 1.00 0.00 C ATOM 551 CH2 TRP A 41 -12.930 -8.066 -3.226 1.00 0.00 C ATOM 0 H TRP A 41 -5.659 -6.960 -5.580 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.108 -7.339 -2.698 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.637 -6.014 -4.219 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.027 -7.514 -5.038 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.775 -7.313 -1.148 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.102 -7.807 -0.133 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -10.458 -7.466 -5.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -12.719 -8.190 -1.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.880 -7.893 -5.367 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.993 -8.253 -3.202 1.00 0.00 H new ATOM 562 N THR A 42 -6.754 -9.790 -2.621 1.00 0.00 N ATOM 563 CA THR A 42 -6.752 -11.256 -2.452 1.00 0.00 C ATOM 564 C THR A 42 -7.927 -11.964 -3.175 1.00 0.00 C ATOM 565 O THR A 42 -8.270 -13.106 -2.846 1.00 0.00 O ATOM 566 CB THR A 42 -6.714 -11.640 -0.935 1.00 0.00 C ATOM 567 OG1 THR A 42 -6.628 -13.063 -0.780 1.00 0.00 O ATOM 568 CG2 THR A 42 -7.929 -11.117 -0.162 1.00 0.00 C ATOM 0 H THR A 42 -7.129 -9.283 -1.819 1.00 0.00 H new ATOM 0 HA THR A 42 -5.843 -11.617 -2.933 1.00 0.00 H new ATOM 0 HB THR A 42 -5.827 -11.165 -0.517 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.194 -13.500 -1.450 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.850 -11.413 0.884 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.963 -10.030 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.840 -11.536 -0.589 1.00 0.00 H new ATOM 576 N ASP A 43 -8.524 -11.287 -4.160 1.00 0.00 N ATOM 577 CA ASP A 43 -9.634 -11.858 -4.929 1.00 0.00 C ATOM 578 C ASP A 43 -9.253 -12.049 -6.400 1.00 0.00 C ATOM 579 O ASP A 43 -9.958 -12.739 -7.142 1.00 0.00 O ATOM 580 CB ASP A 43 -10.875 -10.973 -4.818 1.00 0.00 C ATOM 581 CG ASP A 43 -11.953 -11.599 -3.955 1.00 0.00 C ATOM 582 OD1 ASP A 43 -12.642 -12.520 -4.442 1.00 0.00 O1- ATOM 583 OD2 ASP A 43 -12.108 -11.169 -2.794 1.00 0.00 O ATOM 0 H ASP A 43 -8.258 -10.344 -4.444 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.859 -12.838 -4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.593 -10.007 -4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.274 -10.784 -5.815 1.00 0.00 H new ATOM 588 N GLY A 44 -8.134 -11.433 -6.808 1.00 0.00 N ATOM 589 CA GLY A 44 -7.665 -11.539 -8.183 1.00 0.00 C ATOM 590 C GLY A 44 -7.638 -10.203 -8.911 1.00 0.00 C ATOM 591 O GLY A 44 -7.007 -10.087 -9.966 1.00 0.00 O ATOM 0 H GLY A 44 -7.545 -10.861 -6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.663 -11.968 -8.186 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.309 -12.229 -8.728 1.00 0.00 H new ATOM 595 N LEU A 45 -8.324 -9.200 -8.350 1.00 0.00 N ATOM 596 CA LEU A 45 -8.385 -7.866 -8.945 1.00 0.00 C ATOM 597 C LEU A 45 -7.371 -6.922 -8.303 1.00 0.00 C ATOM 598 O LEU A 45 -7.073 -7.030 -7.110 1.00 0.00 O ATOM 599 CB LEU A 45 -9.793 -7.293 -8.805 1.00 0.00 C ATOM 600 CG LEU A 45 -10.842 -7.944 -9.706 1.00 0.00 C ATOM 601 CD1 LEU A 45 -12.107 -8.242 -8.921 1.00 0.00 C ATOM 602 CD2 LEU A 45 -11.147 -7.052 -10.896 1.00 0.00 C ATOM 0 H LEU A 45 -8.847 -9.292 -7.479 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.136 -7.959 -10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.111 -7.397 -7.768 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.759 -6.226 -9.023 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.441 -8.887 -10.078 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.843 -8.705 -9.579 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.875 -8.921 -8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.513 -7.314 -8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.896 -7.531 -11.527 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.528 -6.093 -10.544 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.236 -6.890 -11.473 1.00 0.00 H new ATOM 614 N LEU A 46 -6.852 -5.997 -9.117 1.00 0.00 N ATOM 615 CA LEU A 46 -5.870 -5.004 -8.681 1.00 0.00 C ATOM 616 C LEU A 46 -6.564 -3.743 -8.141 1.00 0.00 C ATOM 617 O LEU A 46 -7.735 -3.496 -8.447 1.00 0.00 O ATOM 618 CB LEU A 46 -4.962 -4.646 -9.872 1.00 0.00 C ATOM 619 CG LEU A 46 -3.743 -3.766 -9.588 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.707 -4.500 -8.745 1.00 0.00 C ATOM 621 CD2 LEU A 46 -3.147 -3.327 -10.906 1.00 0.00 C ATOM 0 H LEU A 46 -7.104 -5.917 -10.102 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.272 -5.424 -7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.610 -5.576 -10.318 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.573 -4.144 -10.622 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.058 -2.894 -9.014 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.855 -3.845 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.152 -4.790 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.372 -5.391 -9.275 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.276 -2.698 -10.720 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.846 -4.204 -11.479 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.889 -2.762 -11.470 1.00 0.00 H new ATOM 633 N TYR A 47 -5.816 -2.946 -7.365 1.00 0.00 N ATOM 634 CA TYR A 47 -6.334 -1.712 -6.766 1.00 0.00 C ATOM 635 C TYR A 47 -5.316 -0.585 -6.954 1.00 0.00 C ATOM 636 O TYR A 47 -4.139 -0.752 -6.619 1.00 0.00 O ATOM 637 CB TYR A 47 -6.597 -1.896 -5.252 1.00 0.00 C ATOM 638 CG TYR A 47 -7.843 -2.687 -4.825 1.00 0.00 C ATOM 639 CD1 TYR A 47 -8.740 -3.259 -5.732 1.00 0.00 C ATOM 640 CD2 TYR A 47 -8.119 -2.841 -3.470 1.00 0.00 C ATOM 641 CE1 TYR A 47 -9.858 -3.946 -5.300 1.00 0.00 C ATOM 642 CE2 TYR A 47 -9.233 -3.530 -3.033 1.00 0.00 C ATOM 643 CZ TYR A 47 -10.099 -4.079 -3.951 1.00 0.00 C ATOM 644 OH TYR A 47 -11.215 -4.758 -3.520 1.00 0.00 O ATOM 0 H TYR A 47 -4.841 -3.139 -7.137 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.273 -1.464 -7.261 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.726 -2.388 -4.820 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.660 -0.905 -4.802 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.555 -3.162 -6.792 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.446 -2.411 -2.743 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.540 -4.377 -6.018 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.424 -3.638 -1.975 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.146 -5.700 -3.780 1.00 0.00 H new ATOM 654 N LEU A 48 -5.767 0.554 -7.494 1.00 0.00 N ATOM 655 CA LEU A 48 -4.889 1.709 -7.704 1.00 0.00 C ATOM 656 C LEU A 48 -5.018 2.684 -6.535 1.00 0.00 C ATOM 657 O LEU A 48 -6.130 3.041 -6.133 1.00 0.00 O ATOM 658 CB LEU A 48 -5.204 2.405 -9.048 1.00 0.00 C ATOM 659 CG LEU A 48 -4.385 3.674 -9.374 1.00 0.00 C ATOM 660 CD1 LEU A 48 -2.981 3.322 -9.856 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.107 4.513 -10.417 1.00 0.00 C ATOM 0 H LEU A 48 -6.732 0.699 -7.792 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.858 1.360 -7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.050 1.684 -9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.261 2.670 -9.056 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.287 4.254 -8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.432 4.237 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.459 2.764 -9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.048 2.713 -10.757 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.519 5.404 -10.638 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.236 3.929 -11.328 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.084 4.808 -10.034 1.00 0.00 H new ATOM 673 N GLY A 49 -3.867 3.101 -6.006 1.00 0.00 N ATOM 674 CA GLY A 49 -3.844 4.024 -4.878 1.00 0.00 C ATOM 675 C GLY A 49 -2.540 4.781 -4.756 1.00 0.00 C ATOM 676 O GLY A 49 -1.524 4.344 -5.278 1.00 0.00 O ATOM 0 H GLY A 49 -2.946 2.815 -6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.662 4.737 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.022 3.468 -3.958 1.00 0.00 H new ATOM 680 N THR A 50 -2.586 5.938 -4.089 1.00 0.00 N ATOM 681 CA THR A 50 -1.388 6.750 -3.859 1.00 0.00 C ATOM 682 C THR A 50 -0.919 6.549 -2.426 1.00 0.00 C ATOM 683 O THR A 50 -1.726 6.257 -1.544 1.00 0.00 O ATOM 684 CB THR A 50 -1.613 8.255 -4.131 1.00 0.00 C ATOM 685 OG1 THR A 50 -2.931 8.489 -4.651 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.575 8.774 -5.122 1.00 0.00 C ATOM 0 H THR A 50 -3.441 6.334 -3.698 1.00 0.00 H new ATOM 0 HA THR A 50 -0.628 6.417 -4.566 1.00 0.00 H new ATOM 0 HB THR A 50 -1.509 8.787 -3.186 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.053 9.448 -4.814 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.745 9.835 -5.305 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.424 8.632 -4.710 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.662 8.226 -6.060 1.00 0.00 H new ATOM 694 N ILE A 51 0.383 6.714 -2.191 1.00 0.00 N ATOM 695 CA ILE A 51 0.963 6.495 -0.860 1.00 0.00 C ATOM 696 C ILE A 51 0.737 7.670 0.089 1.00 0.00 C ATOM 697 O ILE A 51 1.186 8.790 -0.158 1.00 0.00 O ATOM 698 CB ILE A 51 2.483 6.145 -0.956 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.684 4.855 -1.787 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.144 6.004 0.427 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.147 3.583 -1.136 1.00 0.00 C ATOM 0 H ILE A 51 1.057 6.998 -2.902 1.00 0.00 H new ATOM 0 HA ILE A 51 0.435 5.642 -0.434 1.00 0.00 H new ATOM 0 HB ILE A 51 2.974 6.978 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.199 4.984 -2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.749 4.726 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.199 5.761 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.050 6.943 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.652 5.209 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.333 2.732 -1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.649 3.423 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.075 3.684 -0.969 1.00 0.00 H new ATOM 713 N LYS A 52 0.027 7.373 1.177 1.00 0.00 N ATOM 714 CA LYS A 52 -0.257 8.351 2.225 1.00 0.00 C ATOM 715 C LYS A 52 0.769 8.223 3.354 1.00 0.00 C ATOM 716 O LYS A 52 1.126 9.217 3.993 1.00 0.00 O ATOM 717 CB LYS A 52 -1.672 8.147 2.782 1.00 0.00 C ATOM 718 CG LYS A 52 -2.622 9.321 2.535 1.00 0.00 C ATOM 719 CD LYS A 52 -2.506 10.394 3.617 1.00 0.00 C ATOM 720 CE LYS A 52 -3.649 10.307 4.619 1.00 0.00 C ATOM 721 NZ LYS A 52 -3.562 11.374 5.654 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.367 6.449 1.356 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.192 9.350 1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.099 7.249 2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.605 7.969 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.406 9.763 1.562 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.648 8.955 2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.555 10.284 4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.503 11.380 3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.600 10.388 4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.635 9.330 5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.358 11.280 6.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.666 11.281 6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.601 12.307 5.195 1.00 0.00 H new ATOM 735 N LYS A 53 1.234 6.982 3.585 1.00 0.00 N ATOM 736 CA LYS A 53 2.222 6.686 4.623 1.00 0.00 C ATOM 737 C LYS A 53 3.181 5.586 4.163 1.00 0.00 C ATOM 738 O LYS A 53 2.901 4.868 3.200 1.00 0.00 O ATOM 739 CB LYS A 53 1.528 6.257 5.916 1.00 0.00 C ATOM 740 CG LYS A 53 2.098 6.919 7.170 1.00 0.00 C ATOM 741 CD LYS A 53 1.953 6.039 8.411 1.00 0.00 C ATOM 742 CE LYS A 53 0.506 5.949 8.875 1.00 0.00 C ATOM 743 NZ LYS A 53 0.271 4.766 9.748 1.00 0.00 N1+ ATOM 0 H LYS A 53 0.933 6.163 3.056 1.00 0.00 H new ATOM 0 HA LYS A 53 2.794 7.594 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.466 6.492 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.609 5.175 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.152 7.146 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.589 7.868 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.328 5.039 8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.568 6.441 9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.242 6.857 9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.150 5.894 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.727 4.743 10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.498 3.897 9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.878 4.830 10.590 1.00 0.00 H new ATOM 757 N VAL A 54 4.301 5.451 4.881 1.00 0.00 N ATOM 758 CA VAL A 54 5.328 4.450 4.560 1.00 0.00 C ATOM 759 C VAL A 54 5.917 3.852 5.840 1.00 0.00 C ATOM 760 O VAL A 54 6.211 4.569 6.801 1.00 0.00 O ATOM 761 CB VAL A 54 6.467 5.046 3.663 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.672 4.108 3.556 1.00 0.00 C ATOM 763 CG2 VAL A 54 5.948 5.355 2.264 1.00 0.00 C ATOM 0 H VAL A 54 4.522 6.026 5.694 1.00 0.00 H new ATOM 0 HA VAL A 54 4.841 3.658 3.991 1.00 0.00 H new ATOM 0 HB VAL A 54 6.793 5.966 4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.434 4.565 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.083 3.929 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.358 3.161 3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.756 5.768 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.580 4.439 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.137 6.080 2.329 1.00 0.00 H new ATOM 773 N ASP A 55 6.075 2.527 5.821 1.00 0.00 N ATOM 774 CA ASP A 55 6.634 1.777 6.940 1.00 0.00 C ATOM 775 C ASP A 55 7.852 0.963 6.476 1.00 0.00 C ATOM 776 O ASP A 55 7.745 -0.233 6.174 1.00 0.00 O ATOM 777 CB ASP A 55 5.559 0.867 7.553 1.00 0.00 C ATOM 778 CG ASP A 55 4.797 1.551 8.671 1.00 0.00 C ATOM 779 OD1 ASP A 55 4.021 2.485 8.376 1.00 0.00 O ATOM 780 OD2 ASP A 55 4.975 1.154 9.842 1.00 0.00 O1- ATOM 0 H ASP A 55 5.817 1.945 5.024 1.00 0.00 H new ATOM 0 HA ASP A 55 6.967 2.474 7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.860 0.559 6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.028 -0.039 7.937 1.00 0.00 H new ATOM 785 N SER A 56 9.012 1.634 6.411 1.00 0.00 N ATOM 786 CA SER A 56 10.273 1.010 5.980 1.00 0.00 C ATOM 787 C SER A 56 10.899 0.118 7.072 1.00 0.00 C ATOM 788 O SER A 56 11.974 -0.459 6.867 1.00 0.00 O ATOM 789 CB SER A 56 11.268 2.097 5.558 1.00 0.00 C ATOM 790 OG SER A 56 12.232 1.584 4.655 1.00 0.00 O ATOM 0 H SER A 56 9.103 2.620 6.655 1.00 0.00 H new ATOM 0 HA SER A 56 10.042 0.363 5.134 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.732 2.924 5.092 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.768 2.498 6.439 1.00 0.00 H new ATOM 0 HG SER A 56 12.545 0.711 4.972 1.00 0.00 H new ATOM 796 N ALA A 57 10.215 0.001 8.220 1.00 0.00 N ATOM 797 CA ALA A 57 10.693 -0.819 9.337 1.00 0.00 C ATOM 798 C ALA A 57 10.236 -2.274 9.196 1.00 0.00 C ATOM 799 O ALA A 57 11.040 -3.198 9.354 1.00 0.00 O ATOM 800 CB ALA A 57 10.221 -0.233 10.663 1.00 0.00 C ATOM 0 H ALA A 57 9.325 0.467 8.397 1.00 0.00 H new ATOM 0 HA ALA A 57 11.783 -0.812 9.319 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.583 -0.852 11.484 1.00 0.00 H new ATOM 0 HB2 ALA A 57 10.610 0.779 10.773 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.131 -0.207 10.682 1.00 0.00 H new ATOM 806 N ARG A 58 8.944 -2.463 8.900 1.00 0.00 N ATOM 807 CA ARG A 58 8.369 -3.799 8.725 1.00 0.00 C ATOM 808 C ARG A 58 8.036 -4.081 7.251 1.00 0.00 C ATOM 809 O ARG A 58 7.399 -5.092 6.929 1.00 0.00 O ATOM 810 CB ARG A 58 7.115 -3.944 9.593 1.00 0.00 C ATOM 811 CG ARG A 58 7.297 -4.899 10.761 1.00 0.00 C ATOM 812 CD ARG A 58 6.015 -5.050 11.564 1.00 0.00 C ATOM 813 NE ARG A 58 5.923 -6.366 12.205 1.00 0.00 N ATOM 814 CZ ARG A 58 5.186 -6.638 13.291 1.00 0.00 C ATOM 815 NH1 ARG A 58 4.457 -5.694 13.882 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 5.182 -7.867 13.788 1.00 0.00 N ATOM 0 H ARG A 58 8.276 -1.702 8.777 1.00 0.00 H new ATOM 0 HA ARG A 58 9.112 -4.532 9.040 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.832 -2.964 9.976 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.291 -4.294 8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.611 -5.874 10.389 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.093 -4.534 11.410 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.970 -4.271 12.325 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.157 -4.905 10.908 1.00 0.00 H new ATOM 0 HE ARG A 58 6.459 -7.130 11.794 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.453 -4.745 13.509 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.902 -5.920 14.708 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.737 -8.598 13.344 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.624 -8.081 14.614 1.00 0.00 H new ATOM 830 N GLU A 59 8.490 -3.180 6.350 1.00 0.00 N ATOM 831 CA GLU A 59 8.259 -3.287 4.887 1.00 0.00 C ATOM 832 C GLU A 59 6.760 -3.221 4.546 1.00 0.00 C ATOM 833 O GLU A 59 6.188 -4.153 3.963 1.00 0.00 O ATOM 834 CB GLU A 59 8.908 -4.564 4.302 1.00 0.00 C ATOM 835 CG GLU A 59 10.431 -4.523 4.265 1.00 0.00 C ATOM 836 CD GLU A 59 10.972 -3.872 3.006 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.834 -4.473 1.919 1.00 0.00 O ATOM 838 OE2 GLU A 59 11.535 -2.762 3.107 1.00 0.00 O1- ATOM 0 H GLU A 59 9.028 -2.355 6.616 1.00 0.00 H new ATOM 0 HA GLU A 59 8.742 -2.428 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.592 -5.423 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.534 -4.718 3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.796 -3.978 5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.819 -5.539 4.339 1.00 0.00 H new ATOM 845 N VAL A 60 6.133 -2.099 4.929 1.00 0.00 N ATOM 846 CA VAL A 60 4.699 -1.865 4.681 1.00 0.00 C ATOM 847 C VAL A 60 4.457 -0.400 4.271 1.00 0.00 C ATOM 848 O VAL A 60 5.348 0.437 4.406 1.00 0.00 O ATOM 849 CB VAL A 60 3.809 -2.194 5.925 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.403 -2.589 5.498 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.404 -3.290 6.810 1.00 0.00 C ATOM 0 H VAL A 60 6.599 -1.333 5.415 1.00 0.00 H new ATOM 0 HA VAL A 60 4.413 -2.539 3.874 1.00 0.00 H new ATOM 0 HB VAL A 60 3.769 -1.280 6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.804 -2.813 6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.945 -1.767 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.451 -3.471 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.742 -3.474 7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.514 -4.206 6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.380 -2.972 7.176 1.00 0.00 H new ATOM 861 N CYS A 61 3.249 -0.113 3.747 1.00 0.00 N ATOM 862 CA CYS A 61 2.867 1.247 3.318 1.00 0.00 C ATOM 863 C CYS A 61 1.368 1.441 3.396 1.00 0.00 C ATOM 864 O CYS A 61 0.600 0.510 3.134 1.00 0.00 O ATOM 865 CB CYS A 61 3.279 1.541 1.866 1.00 0.00 C ATOM 866 SG CYS A 61 4.237 0.247 1.072 1.00 0.00 S ATOM 0 H CYS A 61 2.517 -0.810 3.610 1.00 0.00 H new ATOM 0 HA CYS A 61 3.388 1.924 3.995 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.379 1.719 1.278 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.859 2.464 1.848 1.00 0.00 H new ATOM 0 HG CYS A 61 5.436 0.226 1.573 1.00 0.00 H new ATOM 872 N LEU A 62 0.961 2.656 3.758 1.00 0.00 N ATOM 873 CA LEU A 62 -0.445 3.004 3.797 1.00 0.00 C ATOM 874 C LEU A 62 -0.748 3.870 2.594 1.00 0.00 C ATOM 875 O LEU A 62 -0.154 4.937 2.419 1.00 0.00 O ATOM 876 CB LEU A 62 -0.840 3.729 5.095 1.00 0.00 C ATOM 877 CG LEU A 62 -2.190 3.309 5.736 1.00 0.00 C ATOM 878 CD1 LEU A 62 -3.304 3.158 4.692 1.00 0.00 C ATOM 879 CD2 LEU A 62 -2.030 2.021 6.533 1.00 0.00 C ATOM 0 H LEU A 62 1.591 3.412 4.027 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.032 2.086 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.050 3.571 5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.877 4.799 4.891 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.486 4.110 6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.229 2.863 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.454 4.108 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.022 2.395 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.988 1.745 6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.691 1.224 5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.296 2.172 7.325 1.00 0.00 H new ATOM 891 N VAL A 63 -1.663 3.397 1.767 1.00 0.00 N ATOM 892 CA VAL A 63 -2.015 4.093 0.542 1.00 0.00 C ATOM 893 C VAL A 63 -3.501 4.441 0.502 1.00 0.00 C ATOM 894 O VAL A 63 -4.347 3.677 0.981 1.00 0.00 O ATOM 895 CB VAL A 63 -1.576 3.264 -0.721 1.00 0.00 C ATOM 896 CG1 VAL A 63 -0.881 1.967 -0.326 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.728 2.963 -1.666 1.00 0.00 C ATOM 0 H VAL A 63 -2.178 2.530 1.922 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.468 5.035 0.524 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.870 3.899 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.592 1.421 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.008 2.195 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.561 1.356 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.360 2.389 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.489 2.386 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.162 3.898 -2.020 1.00 0.00 H new ATOM 907 N GLN A 64 -3.792 5.611 -0.072 1.00 0.00 N ATOM 908 CA GLN A 64 -5.158 6.090 -0.240 1.00 0.00 C ATOM 909 C GLN A 64 -5.630 5.660 -1.622 1.00 0.00 C ATOM 910 O GLN A 64 -4.907 5.835 -2.607 1.00 0.00 O ATOM 911 CB GLN A 64 -5.236 7.617 -0.094 1.00 0.00 C ATOM 912 CG GLN A 64 -6.626 8.141 0.280 1.00 0.00 C ATOM 913 CD GLN A 64 -6.616 8.995 1.534 1.00 0.00 C ATOM 914 OE1 GLN A 64 -5.941 10.025 1.597 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.372 8.574 2.540 1.00 0.00 N ATOM 0 H GLN A 64 -3.084 6.250 -0.432 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.798 5.665 0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.523 7.935 0.667 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.927 8.077 -1.033 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.024 8.726 -0.549 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.300 7.297 0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.915 7.716 2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.410 9.109 3.408 1.00 0.00 H new ATOM 924 N PHE A 65 -6.830 5.107 -1.693 1.00 0.00 N ATOM 925 CA PHE A 65 -7.356 4.594 -2.949 1.00 0.00 C ATOM 926 C PHE A 65 -8.342 5.544 -3.616 1.00 0.00 C ATOM 927 O PHE A 65 -8.924 6.416 -2.965 1.00 0.00 O ATOM 928 CB PHE A 65 -7.965 3.216 -2.690 1.00 0.00 C ATOM 929 CG PHE A 65 -6.914 2.207 -2.304 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.456 2.111 -0.998 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.362 1.384 -3.258 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.473 1.205 -0.661 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.379 0.477 -2.928 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.936 0.388 -1.630 1.00 0.00 C ATOM 0 H PHE A 65 -7.458 5.002 -0.897 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.536 4.504 -3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.708 3.290 -1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.487 2.875 -3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.874 2.753 -0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.704 1.450 -4.280 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.126 1.137 0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.957 -0.163 -3.688 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.166 -0.323 -1.370 1.00 0.00 H new ATOM 944 N GLU A 66 -8.505 5.350 -4.940 1.00 0.00 N ATOM 945 CA GLU A 66 -9.392 6.163 -5.789 1.00 0.00 C ATOM 946 C GLU A 66 -10.797 6.318 -5.206 1.00 0.00 C ATOM 947 O GLU A 66 -11.364 7.415 -5.248 1.00 0.00 O ATOM 948 CB GLU A 66 -9.476 5.544 -7.180 1.00 0.00 C ATOM 949 CG GLU A 66 -8.589 6.230 -8.207 1.00 0.00 C ATOM 950 CD GLU A 66 -9.254 7.426 -8.874 1.00 0.00 C ATOM 951 OE1 GLU A 66 -10.360 7.262 -9.437 1.00 0.00 O1- ATOM 952 OE2 GLU A 66 -8.666 8.528 -8.834 1.00 0.00 O ATOM 0 H GLU A 66 -8.018 4.616 -5.453 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.959 7.162 -5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.198 4.492 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.510 5.581 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.670 6.558 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.305 5.507 -8.972 1.00 0.00 H new ATOM 959 N ASP A 67 -11.357 5.223 -4.661 1.00 0.00 N ATOM 960 CA ASP A 67 -12.691 5.275 -4.062 1.00 0.00 C ATOM 961 C ASP A 67 -12.626 5.685 -2.565 1.00 0.00 C ATOM 962 O ASP A 67 -13.446 5.254 -1.746 1.00 0.00 O ATOM 963 CB ASP A 67 -13.399 3.927 -4.277 1.00 0.00 C ATOM 964 CG ASP A 67 -14.889 3.971 -3.980 1.00 0.00 C ATOM 965 OD1 ASP A 67 -15.629 4.622 -4.747 1.00 0.00 O ATOM 966 OD2 ASP A 67 -15.314 3.354 -2.980 1.00 0.00 O1- ATOM 0 H ASP A 67 -10.910 4.307 -4.626 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.279 6.048 -4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.251 3.609 -5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.932 3.175 -3.641 1.00 0.00 H new ATOM 971 N ASP A 68 -11.629 6.544 -2.228 1.00 0.00 N ATOM 972 CA ASP A 68 -11.422 7.089 -0.862 1.00 0.00 C ATOM 973 C ASP A 68 -11.300 6.003 0.227 1.00 0.00 C ATOM 974 O ASP A 68 -12.090 5.967 1.182 1.00 0.00 O ATOM 975 CB ASP A 68 -12.533 8.096 -0.507 1.00 0.00 C ATOM 976 CG ASP A 68 -12.362 9.421 -1.224 1.00 0.00 C ATOM 977 OD1 ASP A 68 -11.378 10.133 -0.929 1.00 0.00 O ATOM 978 OD2 ASP A 68 -13.209 9.748 -2.081 1.00 0.00 O1- ATOM 0 H ASP A 68 -10.941 6.880 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.461 7.602 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.502 7.669 -0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.535 8.266 0.570 1.00 0.00 H new ATOM 983 N SER A 69 -10.309 5.118 0.075 1.00 0.00 N ATOM 984 CA SER A 69 -10.079 4.049 1.048 1.00 0.00 C ATOM 985 C SER A 69 -8.648 4.050 1.561 1.00 0.00 C ATOM 986 O SER A 69 -7.698 4.096 0.775 1.00 0.00 O ATOM 987 CB SER A 69 -10.395 2.677 0.443 1.00 0.00 C ATOM 988 OG SER A 69 -11.061 1.850 1.382 1.00 0.00 O ATOM 0 H SER A 69 -9.657 5.122 -0.709 1.00 0.00 H new ATOM 0 HA SER A 69 -10.750 4.240 1.886 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.017 2.801 -0.444 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.472 2.196 0.120 1.00 0.00 H new ATOM 0 HG SER A 69 -11.254 0.981 0.973 1.00 0.00 H new ATOM 994 N GLN A 70 -8.509 4.024 2.889 1.00 0.00 N ATOM 995 CA GLN A 70 -7.201 3.959 3.533 1.00 0.00 C ATOM 996 C GLN A 70 -6.940 2.502 3.897 1.00 0.00 C ATOM 997 O GLN A 70 -7.363 2.015 4.954 1.00 0.00 O ATOM 998 CB GLN A 70 -7.140 4.867 4.768 1.00 0.00 C ATOM 999 CG GLN A 70 -6.478 6.213 4.505 1.00 0.00 C ATOM 1000 CD GLN A 70 -4.962 6.147 4.548 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.366 5.975 5.612 1.00 0.00 O ATOM 1002 NE2 GLN A 70 -4.331 6.284 3.387 1.00 0.00 N ATOM 0 H GLN A 70 -9.294 4.047 3.540 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.428 4.319 2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.153 5.035 5.135 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.596 4.353 5.560 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.793 6.582 3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.826 6.934 5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.865 6.425 2.530 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.312 6.248 3.353 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.250 1.813 2.993 1.00 0.00 N ATOM 1012 CA PHE A 71 -5.971 0.392 3.147 1.00 0.00 C ATOM 1013 C PHE A 71 -4.474 0.116 3.243 1.00 0.00 C ATOM 1014 O PHE A 71 -3.685 0.583 2.417 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.608 -0.348 1.953 1.00 0.00 C ATOM 1016 CG PHE A 71 -7.910 -1.085 2.225 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.702 -0.833 3.348 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.344 -2.039 1.322 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -9.881 -1.523 3.552 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.524 -2.730 1.522 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.292 -2.473 2.640 1.00 0.00 C ATOM 0 H PHE A 71 -5.871 2.222 2.139 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.402 0.032 4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.786 0.377 1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.883 -1.067 1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.388 -0.089 4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.750 -2.248 0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.482 -1.319 4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.845 -3.470 0.804 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.213 -3.014 2.800 1.00 0.00 H new ATOM 1031 N LEU A 72 -4.105 -0.658 4.277 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.715 -1.035 4.554 1.00 0.00 C ATOM 1033 C LEU A 72 -2.243 -2.137 3.589 1.00 0.00 C ATOM 1034 O LEU A 72 -2.826 -3.227 3.548 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.622 -1.513 6.013 1.00 0.00 C ATOM 1036 CG LEU A 72 -1.210 -1.704 6.576 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -1.084 -1.047 7.941 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -0.878 -3.184 6.667 1.00 0.00 C ATOM 0 H LEU A 72 -4.771 -1.041 4.948 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.065 -0.173 4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.147 -0.795 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.155 -2.460 6.097 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.500 -1.227 5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.074 -1.194 8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.286 0.020 7.851 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.801 -1.496 8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.128 -3.307 7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.594 -3.678 7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.929 -3.630 5.674 1.00 0.00 H new ATOM 1050 N VAL A 73 -1.193 -1.836 2.816 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.645 -2.799 1.840 1.00 0.00 C ATOM 1052 C VAL A 73 0.835 -3.093 2.087 1.00 0.00 C ATOM 1053 O VAL A 73 1.578 -2.245 2.586 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.803 -2.336 0.362 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -1.023 -3.538 -0.556 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -1.931 -1.316 0.198 1.00 0.00 C ATOM 0 H VAL A 73 -0.705 -0.941 2.843 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.236 -3.702 1.991 1.00 0.00 H new ATOM 0 HB VAL A 73 0.124 -1.840 0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.131 -3.195 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.168 -4.211 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.927 -4.067 -0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.005 -1.021 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.873 -1.761 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.719 -0.438 0.808 1.00 0.00 H new ATOM 1066 N LEU A 74 1.236 -4.317 1.711 1.00 0.00 N ATOM 1067 CA LEU A 74 2.618 -4.784 1.848 1.00 0.00 C ATOM 1068 C LEU A 74 3.404 -4.511 0.569 1.00 0.00 C ATOM 1069 O LEU A 74 2.837 -4.538 -0.525 1.00 0.00 O ATOM 1070 CB LEU A 74 2.658 -6.303 2.142 1.00 0.00 C ATOM 1071 CG LEU A 74 1.955 -6.814 3.425 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.288 -5.957 4.637 1.00 0.00 C ATOM 1073 CD2 LEU A 74 0.445 -6.906 3.229 1.00 0.00 C ATOM 0 H LEU A 74 0.608 -5.009 1.303 1.00 0.00 H new ATOM 0 HA LEU A 74 3.069 -4.242 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.216 -6.820 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.704 -6.606 2.191 1.00 0.00 H new ATOM 0 HG LEU A 74 2.337 -7.817 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.774 -6.351 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.364 -5.973 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.965 -4.932 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.020 -7.267 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.049 -5.920 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.225 -7.596 2.415 1.00 0.00 H new ATOM 1085 N TRP A 75 4.720 -4.284 0.712 1.00 0.00 N ATOM 1086 CA TRP A 75 5.612 -4.008 -0.442 1.00 0.00 C ATOM 1087 C TRP A 75 5.635 -5.171 -1.448 1.00 0.00 C ATOM 1088 O TRP A 75 6.096 -5.003 -2.582 1.00 0.00 O ATOM 1089 CB TRP A 75 7.052 -3.696 0.028 1.00 0.00 C ATOM 1090 CG TRP A 75 7.192 -2.467 0.897 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.221 -1.886 1.661 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.380 -1.679 1.109 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.716 -0.789 2.309 1.00 0.00 N ATOM 1094 CE2 TRP A 75 8.036 -0.640 1.995 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.698 -1.742 0.635 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 8.950 0.320 2.418 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.606 -0.787 1.058 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.227 0.232 1.944 1.00 0.00 C ATOM 0 H TRP A 75 5.197 -4.285 1.614 1.00 0.00 H new ATOM 0 HA TRP A 75 5.204 -3.133 -0.947 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.432 -4.556 0.579 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.686 -3.575 -0.850 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.205 -2.243 1.742 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.183 -0.179 2.929 1.00 0.00 H new ATOM 0 HE3 TRP A 75 9.999 -2.522 -0.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.659 1.107 3.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.624 -0.827 0.700 1.00 0.00 H new ATOM 0 HH2 TRP A 75 10.960 0.961 2.257 1.00 0.00 H new ATOM 1109 N LYS A 76 5.134 -6.341 -1.022 1.00 0.00 N ATOM 1110 CA LYS A 76 5.073 -7.535 -1.880 1.00 0.00 C ATOM 1111 C LYS A 76 3.798 -7.535 -2.742 1.00 0.00 C ATOM 1112 O LYS A 76 3.803 -8.046 -3.866 1.00 0.00 O ATOM 1113 CB LYS A 76 5.163 -8.834 -1.049 1.00 0.00 C ATOM 1114 CG LYS A 76 4.316 -8.857 0.224 1.00 0.00 C ATOM 1115 CD LYS A 76 4.174 -10.270 0.771 1.00 0.00 C ATOM 1116 CE LYS A 76 4.172 -10.283 2.293 1.00 0.00 C ATOM 1117 NZ LYS A 76 5.546 -10.159 2.854 1.00 0.00 N1+ ATOM 0 H LYS A 76 4.763 -6.486 -0.083 1.00 0.00 H new ATOM 0 HA LYS A 76 5.936 -7.500 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.863 -9.671 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.205 -8.999 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.773 -8.217 0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.329 -8.446 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.249 -10.713 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.993 -10.888 0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.555 -9.464 2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.718 -11.209 2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.499 -10.172 3.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.129 -10.954 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.971 -9.264 2.538 1.00 0.00 H new ATOM 1131 N ASP A 77 2.716 -6.959 -2.197 1.00 0.00 N ATOM 1132 CA ASP A 77 1.429 -6.865 -2.900 1.00 0.00 C ATOM 1133 C ASP A 77 1.299 -5.531 -3.646 1.00 0.00 C ATOM 1134 O ASP A 77 0.263 -5.253 -4.262 1.00 0.00 O ATOM 1135 CB ASP A 77 0.272 -7.015 -1.906 1.00 0.00 C ATOM 1136 CG ASP A 77 -0.303 -8.418 -1.893 1.00 0.00 C ATOM 1137 OD1 ASP A 77 0.326 -9.312 -1.290 1.00 0.00 O1- ATOM 1138 OD2 ASP A 77 -1.382 -8.622 -2.488 1.00 0.00 O ATOM 0 H ASP A 77 2.708 -6.548 -1.263 1.00 0.00 H new ATOM 0 HA ASP A 77 1.388 -7.673 -3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.621 -6.759 -0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.515 -6.305 -2.160 1.00 0.00 H new ATOM 1143 N ILE A 78 2.364 -4.723 -3.599 1.00 0.00 N ATOM 1144 CA ILE A 78 2.373 -3.411 -4.244 1.00 0.00 C ATOM 1145 C ILE A 78 3.197 -3.430 -5.538 1.00 0.00 C ATOM 1146 O ILE A 78 4.278 -4.023 -5.595 1.00 0.00 O ATOM 1147 CB ILE A 78 2.897 -2.311 -3.271 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.923 -2.176 -2.086 1.00 0.00 C ATOM 1149 CG2 ILE A 78 3.066 -0.965 -3.984 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.506 -1.514 -0.860 1.00 0.00 C ATOM 0 H ILE A 78 3.232 -4.958 -3.118 1.00 0.00 H new ATOM 0 HA ILE A 78 1.343 -3.168 -4.507 1.00 0.00 H new ATOM 0 HB ILE A 78 3.879 -2.609 -2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.054 -1.605 -2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.567 -3.169 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.433 -0.222 -3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.781 -1.073 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.105 -0.642 -4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.748 -1.463 -0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.357 -2.094 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.835 -0.506 -1.113 1.00 0.00 H new ATOM 1162 N SER A 79 2.654 -2.766 -6.563 1.00 0.00 N ATOM 1163 CA SER A 79 3.299 -2.651 -7.870 1.00 0.00 C ATOM 1164 C SER A 79 3.292 -1.180 -8.320 1.00 0.00 C ATOM 1165 O SER A 79 2.231 -0.655 -8.666 1.00 0.00 O ATOM 1166 CB SER A 79 2.581 -3.530 -8.907 1.00 0.00 C ATOM 1167 OG SER A 79 3.506 -4.326 -9.627 1.00 0.00 O ATOM 0 H SER A 79 1.752 -2.293 -6.507 1.00 0.00 H new ATOM 0 HA SER A 79 4.330 -2.996 -7.787 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.857 -4.172 -8.406 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.023 -2.899 -9.599 1.00 0.00 H new ATOM 0 HG SER A 79 3.025 -4.877 -10.279 1.00 0.00 H new ATOM 1173 N PRO A 80 4.462 -0.463 -8.305 1.00 0.00 N ATOM 1174 CA PRO A 80 4.527 0.957 -8.726 1.00 0.00 C ATOM 1175 C PRO A 80 3.918 1.204 -10.112 1.00 0.00 C ATOM 1176 O PRO A 80 4.334 0.601 -11.108 1.00 0.00 O ATOM 1177 CB PRO A 80 6.029 1.255 -8.726 1.00 0.00 C ATOM 1178 CG PRO A 80 6.582 0.325 -7.707 1.00 0.00 C ATOM 1179 CD PRO A 80 5.794 -0.946 -7.858 1.00 0.00 C ATOM 0 HA PRO A 80 3.949 1.601 -8.063 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.470 1.080 -9.707 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.229 2.295 -8.467 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.645 0.150 -7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.477 0.735 -6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.246 -1.617 -8.589 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.730 -1.495 -6.919 1.00 0.00 H new ATOM 1187 N ALA A 81 2.916 2.091 -10.145 1.00 0.00 N ATOM 1188 CA ALA A 81 2.199 2.446 -11.379 1.00 0.00 C ATOM 1189 C ALA A 81 3.040 3.315 -12.330 1.00 0.00 C ATOM 1190 O ALA A 81 2.645 3.543 -13.478 1.00 0.00 O ATOM 1191 CB ALA A 81 0.902 3.162 -11.026 1.00 0.00 C ATOM 0 H ALA A 81 2.578 2.584 -9.318 1.00 0.00 H new ATOM 0 HA ALA A 81 1.985 1.518 -11.909 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.371 3.425 -11.941 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.278 2.506 -10.420 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.128 4.068 -10.464 1.00 0.00 H new