USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 86 HIS : no HD1:sc= 0.0659 X(o=0.18,f=-0.039) USER MOD Set 1.2: A 89 SER OG : rot 146:sc= 0.112 USER MOD Set 2.1: A 76 THR OG1 : rot 73:sc= 0.995 USER MOD Set 2.2: A 92 TYR OH : rot -174:sc= 0.499 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 171:sc= -0.36 (180deg=-0.512) USER MOD Single : A 37 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= 0.588 (180deg=0.0659) USER MOD Single : A 44 SER OG : rot 97:sc= 0.178 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.49) USER MOD Single : A 61 SER OG : rot -61:sc= 0.0819 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc=-0.00923 X(o=-0.0092,f=-0.097) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0216) USER MOD Single : A 81 ASN : amide:sc=-0.00558 K(o=-0.0056,f=-1.1) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -82:sc= 0.495 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -5.551 8.443 6.849 1.00 15.00 N ATOM 437 CA GLU A 28 -5.440 8.543 5.394 1.00 42.24 C ATOM 438 C GLU A 28 -4.321 9.520 5.008 1.00 53.45 C ATOM 439 O GLU A 28 -3.676 9.325 3.995 1.00 20.03 O ATOM 440 CB GLU A 28 -6.770 8.934 4.713 1.00 41.01 C ATOM 441 CG GLU A 28 -6.762 8.650 3.196 1.00 32.12 C ATOM 442 CD GLU A 28 -8.119 8.831 2.517 1.00 53.33 C ATOM 443 OE1 GLU A 28 -9.099 8.166 2.929 1.00 11.22 O ATOM 444 OE2 GLU A 28 -8.214 9.627 1.555 1.00 61.41 O ATOM 0 HA GLU A 28 -5.188 7.548 5.028 1.00 42.24 H new ATOM 0 HB2 GLU A 28 -7.588 8.384 5.178 1.00 41.01 H new ATOM 0 HB3 GLU A 28 -6.962 9.994 4.880 1.00 41.01 H new ATOM 0 HG2 GLU A 28 -6.038 9.310 2.718 1.00 32.12 H new ATOM 0 HG3 GLU A 28 -6.419 7.629 3.031 1.00 32.12 H new ATOM 451 N ASN A 29 -4.087 10.554 5.852 1.00 64.31 N ATOM 452 CA ASN A 29 -2.919 11.465 5.712 1.00 2.20 C ATOM 453 C ASN A 29 -1.616 10.645 5.672 1.00 34.30 C ATOM 454 O ASN A 29 -0.758 10.861 4.811 1.00 54.31 O ATOM 455 CB ASN A 29 -2.835 12.495 6.887 1.00 41.15 C ATOM 456 CG ASN A 29 -3.752 13.710 6.751 1.00 73.31 C ATOM 457 OD1 ASN A 29 -4.764 13.687 6.055 1.00 21.32 O ATOM 458 ND2 ASN A 29 -3.407 14.780 7.451 1.00 63.44 N ATOM 0 H ASN A 29 -4.693 10.781 6.641 1.00 64.31 H new ATOM 0 HA ASN A 29 -3.049 12.018 4.782 1.00 2.20 H new ATOM 0 HB2 ASN A 29 -3.074 11.981 7.818 1.00 41.15 H new ATOM 0 HB3 ASN A 29 -1.806 12.844 6.971 1.00 41.15 H new ATOM 0 HD21 ASN A 29 -3.988 15.618 7.422 1.00 63.44 H new ATOM 0 HD22 ASN A 29 -2.560 14.766 8.019 1.00 63.44 H new ATOM 465 N GLU A 30 -1.537 9.648 6.578 1.00 12.12 N ATOM 466 CA GLU A 30 -0.323 8.835 6.782 1.00 63.33 C ATOM 467 C GLU A 30 -0.146 7.800 5.651 1.00 33.45 C ATOM 468 O GLU A 30 0.962 7.645 5.132 1.00 54.52 O ATOM 469 CB GLU A 30 -0.346 8.153 8.178 1.00 2.20 C ATOM 470 CG GLU A 30 -0.088 9.106 9.368 1.00 61.44 C ATOM 471 CD GLU A 30 -0.164 8.383 10.717 1.00 65.23 C ATOM 472 OE1 GLU A 30 0.827 7.722 11.103 1.00 42.31 O ATOM 473 OE2 GLU A 30 -1.216 8.453 11.386 1.00 4.23 O ATOM 0 H GLU A 30 -2.312 9.386 7.187 1.00 12.12 H new ATOM 0 HA GLU A 30 0.539 9.501 6.749 1.00 63.33 H new ATOM 0 HB2 GLU A 30 -1.315 7.674 8.317 1.00 2.20 H new ATOM 0 HB3 GLU A 30 0.405 7.363 8.194 1.00 2.20 H new ATOM 0 HG2 GLU A 30 0.895 9.564 9.258 1.00 61.44 H new ATOM 0 HG3 GLU A 30 -0.819 9.914 9.349 1.00 61.44 H new ATOM 480 N LEU A 31 -1.246 7.121 5.257 1.00 11.53 N ATOM 481 CA LEU A 31 -1.202 6.102 4.149 1.00 35.53 C ATOM 482 C LEU A 31 -1.000 6.798 2.793 1.00 32.41 C ATOM 483 O LEU A 31 -0.302 6.266 1.923 1.00 72.50 O ATOM 484 CB LEU A 31 -2.436 5.102 4.134 1.00 54.43 C ATOM 485 CG LEU A 31 -2.498 4.029 2.932 1.00 53.31 C ATOM 486 CD1 LEU A 31 -3.158 2.682 3.336 1.00 62.23 C ATOM 487 CD2 LEU A 31 -3.232 4.570 1.658 1.00 1.04 C ATOM 0 H LEU A 31 -2.169 7.247 5.673 1.00 11.53 H new ATOM 0 HA LEU A 31 -0.341 5.464 4.348 1.00 35.53 H new ATOM 0 HB2 LEU A 31 -2.439 4.555 5.077 1.00 54.43 H new ATOM 0 HB3 LEU A 31 -3.351 5.694 4.106 1.00 54.43 H new ATOM 0 HG LEU A 31 -1.449 3.853 2.696 1.00 53.31 H new ATOM 0 HD11 LEU A 31 -3.165 2.009 2.479 1.00 62.23 H new ATOM 0 HD12 LEU A 31 -2.591 2.228 4.149 1.00 62.23 H new ATOM 0 HD13 LEU A 31 -4.182 2.862 3.665 1.00 62.23 H new ATOM 0 HD21 LEU A 31 -3.239 3.799 0.887 1.00 1.04 H new ATOM 0 HD22 LEU A 31 -4.258 4.836 1.914 1.00 1.04 H new ATOM 0 HD23 LEU A 31 -2.711 5.452 1.285 1.00 1.04 H new ATOM 499 N ARG A 32 -1.566 8.010 2.633 1.00 51.21 N ATOM 500 CA ARG A 32 -1.435 8.785 1.380 1.00 13.12 C ATOM 501 C ARG A 32 0.007 9.302 1.247 1.00 12.14 C ATOM 502 O ARG A 32 0.582 9.256 0.154 1.00 0.04 O ATOM 503 CB ARG A 32 -2.456 9.983 1.291 1.00 52.45 C ATOM 504 CG ARG A 32 -3.868 9.645 0.756 1.00 45.42 C ATOM 505 CD ARG A 32 -3.832 9.004 -0.632 1.00 32.35 C ATOM 506 NE ARG A 32 -2.966 9.752 -1.562 1.00 33.23 N ATOM 507 CZ ARG A 32 -2.415 9.244 -2.674 1.00 33.11 C ATOM 508 NH1 ARG A 32 -2.648 7.990 -3.030 1.00 5.14 N ATOM 509 NH2 ARG A 32 -1.585 9.983 -3.396 1.00 65.34 N ATOM 0 H ARG A 32 -2.118 8.475 3.354 1.00 51.21 H new ATOM 0 HA ARG A 32 -1.671 8.114 0.554 1.00 13.12 H new ATOM 0 HB2 ARG A 32 -2.562 10.416 2.286 1.00 52.45 H new ATOM 0 HB3 ARG A 32 -2.024 10.753 0.652 1.00 52.45 H new ATOM 0 HG2 ARG A 32 -4.364 8.969 1.452 1.00 45.42 H new ATOM 0 HG3 ARG A 32 -4.465 10.556 0.716 1.00 45.42 H new ATOM 0 HD2 ARG A 32 -3.474 7.978 -0.549 1.00 32.35 H new ATOM 0 HD3 ARG A 32 -4.843 8.957 -1.036 1.00 32.35 H new ATOM 0 HE ARG A 32 -2.771 10.729 -1.343 1.00 33.23 H new ATOM 0 HH11 ARG A 32 -3.252 7.401 -2.456 1.00 5.14 H new ATOM 0 HH12 ARG A 32 -2.224 7.613 -3.878 1.00 5.14 H new ATOM 0 HH21 ARG A 32 -1.366 10.936 -3.105 1.00 65.34 H new ATOM 0 HH22 ARG A 32 -1.165 9.599 -4.242 1.00 65.34 H new ATOM 523 N SER A 33 0.587 9.757 2.381 1.00 44.51 N ATOM 524 CA SER A 33 1.943 10.321 2.424 1.00 51.35 C ATOM 525 C SER A 33 2.984 9.235 2.101 1.00 21.35 C ATOM 526 O SER A 33 3.882 9.459 1.290 1.00 20.41 O ATOM 527 CB SER A 33 2.208 10.953 3.816 1.00 50.42 C ATOM 528 OG SER A 33 3.520 11.491 3.922 1.00 45.21 O ATOM 0 H SER A 33 0.123 9.741 3.289 1.00 44.51 H new ATOM 0 HA SER A 33 2.030 11.103 1.670 1.00 51.35 H new ATOM 0 HB2 SER A 33 1.478 11.741 4.000 1.00 50.42 H new ATOM 0 HB3 SER A 33 2.063 10.198 4.589 1.00 50.42 H new ATOM 0 HG SER A 33 3.643 11.880 4.813 1.00 45.21 H new ATOM 534 N MET A 34 2.818 8.045 2.719 1.00 11.11 N ATOM 535 CA MET A 34 3.743 6.907 2.522 1.00 74.33 C ATOM 536 C MET A 34 3.542 6.254 1.139 1.00 44.31 C ATOM 537 O MET A 34 4.502 5.717 0.571 1.00 74.43 O ATOM 538 CB MET A 34 3.618 5.837 3.660 1.00 14.20 C ATOM 539 CG MET A 34 4.054 6.292 5.074 1.00 62.12 C ATOM 540 SD MET A 34 4.017 4.944 6.281 1.00 53.10 S ATOM 541 CE MET A 34 2.260 4.660 6.494 1.00 61.44 C ATOM 0 H MET A 34 2.050 7.847 3.360 1.00 11.11 H new ATOM 0 HA MET A 34 4.753 7.315 2.567 1.00 74.33 H new ATOM 0 HB2 MET A 34 2.580 5.509 3.710 1.00 14.20 H new ATOM 0 HB3 MET A 34 4.213 4.968 3.381 1.00 14.20 H new ATOM 0 HG2 MET A 34 5.062 6.703 5.025 1.00 62.12 H new ATOM 0 HG3 MET A 34 3.399 7.095 5.411 1.00 62.12 H new ATOM 0 HE1 MET A 34 2.106 3.757 7.084 1.00 61.44 H new ATOM 0 HE2 MET A 34 1.814 5.510 7.010 1.00 61.44 H new ATOM 0 HE3 MET A 34 1.790 4.540 5.518 1.00 61.44 H new ATOM 551 N LEU A 35 2.306 6.317 0.584 1.00 4.20 N ATOM 552 CA LEU A 35 2.033 5.775 -0.777 1.00 34.25 C ATOM 553 C LEU A 35 2.794 6.657 -1.794 1.00 5.40 C ATOM 554 O LEU A 35 3.497 6.141 -2.669 1.00 20.31 O ATOM 555 CB LEU A 35 0.480 5.689 -1.118 1.00 13.24 C ATOM 556 CG LEU A 35 0.015 4.732 -2.301 1.00 12.25 C ATOM 557 CD1 LEU A 35 -1.526 4.584 -2.344 1.00 22.44 C ATOM 558 CD2 LEU A 35 0.526 5.179 -3.680 1.00 22.45 C ATOM 0 H LEU A 35 1.495 6.729 1.045 1.00 4.20 H new ATOM 0 HA LEU A 35 2.384 4.744 -0.826 1.00 34.25 H new ATOM 0 HB2 LEU A 35 -0.041 5.375 -0.214 1.00 13.24 H new ATOM 0 HB3 LEU A 35 0.135 6.696 -1.352 1.00 13.24 H new ATOM 0 HG LEU A 35 0.465 3.764 -2.081 1.00 12.25 H new ATOM 0 HD11 LEU A 35 -1.805 3.923 -3.165 1.00 22.44 H new ATOM 0 HD12 LEU A 35 -1.877 4.162 -1.403 1.00 22.44 H new ATOM 0 HD13 LEU A 35 -1.981 5.563 -2.495 1.00 22.44 H new ATOM 0 HD21 LEU A 35 0.173 4.484 -4.442 1.00 22.45 H new ATOM 0 HD22 LEU A 35 0.152 6.179 -3.900 1.00 22.45 H new ATOM 0 HD23 LEU A 35 1.616 5.192 -3.677 1.00 22.45 H new ATOM 570 N ALA A 36 2.675 7.988 -1.612 1.00 70.33 N ATOM 571 CA ALA A 36 3.347 9.002 -2.449 1.00 44.23 C ATOM 572 C ALA A 36 4.872 8.846 -2.418 1.00 72.43 C ATOM 573 O ALA A 36 5.539 8.902 -3.468 1.00 14.33 O ATOM 574 CB ALA A 36 2.961 10.407 -1.975 1.00 60.14 C ATOM 0 H ALA A 36 2.103 8.393 -0.871 1.00 70.33 H new ATOM 0 HA ALA A 36 3.017 8.855 -3.477 1.00 44.23 H new ATOM 0 HB1 ALA A 36 3.460 11.151 -2.596 1.00 60.14 H new ATOM 0 HB2 ALA A 36 1.881 10.534 -2.054 1.00 60.14 H new ATOM 0 HB3 ALA A 36 3.267 10.538 -0.937 1.00 60.14 H new ATOM 580 N THR A 37 5.405 8.648 -1.188 1.00 3.23 N ATOM 581 CA THR A 37 6.839 8.416 -0.958 1.00 22.35 C ATOM 582 C THR A 37 7.319 7.197 -1.768 1.00 53.25 C ATOM 583 O THR A 37 8.317 7.249 -2.495 1.00 11.11 O ATOM 584 CB THR A 37 7.136 8.178 0.562 1.00 42.24 C ATOM 585 OG1 THR A 37 6.627 9.271 1.337 1.00 74.15 O ATOM 586 CG2 THR A 37 8.641 8.021 0.848 1.00 52.25 C ATOM 0 H THR A 37 4.848 8.646 -0.333 1.00 3.23 H new ATOM 0 HA THR A 37 7.376 9.307 -1.284 1.00 22.35 H new ATOM 0 HB THR A 37 6.641 7.248 0.841 1.00 42.24 H new ATOM 0 HG1 THR A 37 5.653 9.194 1.411 1.00 74.15 H new ATOM 0 HG21 THR A 37 8.794 7.858 1.915 1.00 52.25 H new ATOM 0 HG22 THR A 37 9.030 7.168 0.292 1.00 52.25 H new ATOM 0 HG23 THR A 37 9.166 8.925 0.540 1.00 52.25 H new ATOM 594 N ALA A 38 6.522 6.120 -1.671 1.00 51.50 N ATOM 595 CA ALA A 38 6.810 4.825 -2.302 1.00 34.43 C ATOM 596 C ALA A 38 6.710 4.881 -3.842 1.00 30.33 C ATOM 597 O ALA A 38 7.284 4.031 -4.525 1.00 4.22 O ATOM 598 CB ALA A 38 5.906 3.745 -1.703 1.00 74.11 C ATOM 0 H ALA A 38 5.648 6.126 -1.145 1.00 51.50 H new ATOM 0 HA ALA A 38 7.847 4.567 -2.087 1.00 34.43 H new ATOM 0 HB1 ALA A 38 6.123 2.786 -2.174 1.00 74.11 H new ATOM 0 HB2 ALA A 38 6.088 3.672 -0.631 1.00 74.11 H new ATOM 0 HB3 ALA A 38 4.862 4.007 -1.877 1.00 74.11 H new ATOM 604 N LEU A 39 6.001 5.893 -4.388 1.00 21.40 N ATOM 605 CA LEU A 39 5.926 6.101 -5.854 1.00 21.02 C ATOM 606 C LEU A 39 7.226 6.721 -6.414 1.00 54.51 C ATOM 607 O LEU A 39 7.535 6.526 -7.597 1.00 52.22 O ATOM 608 CB LEU A 39 4.697 6.963 -6.259 1.00 14.22 C ATOM 609 CG LEU A 39 3.264 6.405 -5.935 1.00 11.42 C ATOM 610 CD1 LEU A 39 2.183 7.474 -6.229 1.00 41.04 C ATOM 611 CD2 LEU A 39 2.945 5.054 -6.661 1.00 72.32 C ATOM 0 H LEU A 39 5.475 6.575 -3.842 1.00 21.40 H new ATOM 0 HA LEU A 39 5.803 5.113 -6.297 1.00 21.02 H new ATOM 0 HB2 LEU A 39 4.795 7.933 -5.772 1.00 14.22 H new ATOM 0 HB3 LEU A 39 4.752 7.138 -7.333 1.00 14.22 H new ATOM 0 HG LEU A 39 3.251 6.178 -4.869 1.00 11.42 H new ATOM 0 HD11 LEU A 39 1.198 7.068 -5.998 1.00 41.04 H new ATOM 0 HD12 LEU A 39 2.366 8.355 -5.614 1.00 41.04 H new ATOM 0 HD13 LEU A 39 2.223 7.752 -7.282 1.00 41.04 H new ATOM 0 HD21 LEU A 39 1.941 4.725 -6.393 1.00 72.32 H new ATOM 0 HD22 LEU A 39 3.004 5.198 -7.740 1.00 72.32 H new ATOM 0 HD23 LEU A 39 3.668 4.297 -6.356 1.00 72.32 H new ATOM 623 N GLU A 40 7.993 7.461 -5.585 1.00 4.52 N ATOM 624 CA GLU A 40 9.347 7.912 -5.985 1.00 50.13 C ATOM 625 C GLU A 40 10.408 6.911 -5.479 1.00 64.21 C ATOM 626 O GLU A 40 11.552 6.954 -5.914 1.00 62.15 O ATOM 627 CB GLU A 40 9.667 9.364 -5.521 1.00 75.40 C ATOM 628 CG GLU A 40 10.082 9.516 -4.048 1.00 34.23 C ATOM 629 CD GLU A 40 10.348 10.970 -3.645 1.00 21.40 C ATOM 630 OE1 GLU A 40 11.456 11.470 -3.927 1.00 14.11 O ATOM 631 OE2 GLU A 40 9.458 11.615 -3.057 1.00 42.22 O ATOM 0 H GLU A 40 7.707 7.755 -4.651 1.00 4.52 H new ATOM 0 HA GLU A 40 9.372 7.937 -7.074 1.00 50.13 H new ATOM 0 HB2 GLU A 40 10.467 9.758 -6.148 1.00 75.40 H new ATOM 0 HB3 GLU A 40 8.788 9.984 -5.698 1.00 75.40 H new ATOM 0 HG2 GLU A 40 9.297 9.107 -3.412 1.00 34.23 H new ATOM 0 HG3 GLU A 40 10.980 8.925 -3.867 1.00 34.23 H new ATOM 638 N LYS A 41 10.027 6.010 -4.554 1.00 24.52 N ATOM 639 CA LYS A 41 10.901 4.892 -4.148 1.00 42.52 C ATOM 640 C LYS A 41 10.843 3.781 -5.207 1.00 41.23 C ATOM 641 O LYS A 41 9.788 3.551 -5.804 1.00 65.12 O ATOM 642 CB LYS A 41 10.491 4.322 -2.769 1.00 12.40 C ATOM 643 CG LYS A 41 10.691 5.274 -1.572 1.00 44.35 C ATOM 644 CD LYS A 41 12.168 5.751 -1.430 1.00 2.15 C ATOM 645 CE LYS A 41 12.479 6.456 -0.093 1.00 23.41 C ATOM 646 NZ LYS A 41 12.086 5.620 1.062 1.00 24.51 N ATOM 0 H LYS A 41 9.126 6.033 -4.076 1.00 24.52 H new ATOM 0 HA LYS A 41 11.919 5.272 -4.064 1.00 42.52 H new ATOM 0 HB2 LYS A 41 9.440 4.035 -2.811 1.00 12.40 H new ATOM 0 HB3 LYS A 41 11.063 3.412 -2.587 1.00 12.40 H new ATOM 0 HG2 LYS A 41 10.042 6.142 -1.689 1.00 44.35 H new ATOM 0 HG3 LYS A 41 10.386 4.769 -0.655 1.00 44.35 H new ATOM 0 HD2 LYS A 41 12.828 4.890 -1.536 1.00 2.15 H new ATOM 0 HD3 LYS A 41 12.399 6.432 -2.249 1.00 2.15 H new ATOM 0 HE2 LYS A 41 13.544 6.679 -0.037 1.00 23.41 H new ATOM 0 HE3 LYS A 41 11.951 7.409 -0.051 1.00 23.41 H new ATOM 0 HZ1 LYS A 41 12.568 5.962 1.918 1.00 24.51 H new ATOM 0 HZ2 LYS A 41 11.057 5.678 1.198 1.00 24.51 H new ATOM 0 HZ3 LYS A 41 12.357 4.632 0.883 1.00 24.51 H new ATOM 660 N ASP A 42 11.980 3.109 -5.444 1.00 4.40 N ATOM 661 CA ASP A 42 12.054 1.943 -6.345 1.00 64.04 C ATOM 662 C ASP A 42 11.286 0.774 -5.695 1.00 61.34 C ATOM 663 O ASP A 42 11.800 0.128 -4.775 1.00 21.30 O ATOM 664 CB ASP A 42 13.534 1.533 -6.626 1.00 73.12 C ATOM 665 CG ASP A 42 14.405 2.682 -7.165 1.00 61.34 C ATOM 666 OD1 ASP A 42 15.006 3.420 -6.359 1.00 64.31 O ATOM 667 OD2 ASP A 42 14.495 2.858 -8.399 1.00 71.42 O ATOM 0 H ASP A 42 12.874 3.356 -5.019 1.00 4.40 H new ATOM 0 HA ASP A 42 11.604 2.202 -7.303 1.00 64.04 H new ATOM 0 HB2 ASP A 42 13.978 1.154 -5.705 1.00 73.12 H new ATOM 0 HB3 ASP A 42 13.544 0.714 -7.345 1.00 73.12 H new ATOM 672 N ILE A 43 10.021 0.580 -6.104 1.00 60.44 N ATOM 673 CA ILE A 43 9.182 -0.540 -5.639 1.00 75.25 C ATOM 674 C ILE A 43 9.166 -1.655 -6.697 1.00 34.01 C ATOM 675 O ILE A 43 9.129 -1.371 -7.900 1.00 33.15 O ATOM 676 CB ILE A 43 7.715 -0.064 -5.271 1.00 62.32 C ATOM 677 CG1 ILE A 43 7.011 0.647 -6.471 1.00 13.31 C ATOM 678 CG2 ILE A 43 7.729 0.848 -4.021 1.00 43.10 C ATOM 679 CD1 ILE A 43 5.685 1.328 -6.133 1.00 34.03 C ATOM 0 H ILE A 43 9.550 1.195 -6.767 1.00 60.44 H new ATOM 0 HA ILE A 43 9.618 -0.937 -4.722 1.00 75.25 H new ATOM 0 HB ILE A 43 7.135 -0.957 -5.040 1.00 62.32 H new ATOM 0 HG12 ILE A 43 7.691 1.394 -6.881 1.00 13.31 H new ATOM 0 HG13 ILE A 43 6.834 -0.088 -7.256 1.00 13.31 H new ATOM 0 HG21 ILE A 43 6.711 1.162 -3.788 1.00 43.10 H new ATOM 0 HG22 ILE A 43 8.142 0.299 -3.175 1.00 43.10 H new ATOM 0 HG23 ILE A 43 8.343 1.726 -4.218 1.00 43.10 H new ATOM 0 HD11 ILE A 43 5.275 1.792 -7.030 1.00 34.03 H new ATOM 0 HD12 ILE A 43 4.981 0.587 -5.754 1.00 34.03 H new ATOM 0 HD13 ILE A 43 5.851 2.092 -5.373 1.00 34.03 H new ATOM 691 N SER A 44 9.204 -2.916 -6.223 1.00 41.04 N ATOM 692 CA SER A 44 9.236 -4.141 -7.070 1.00 35.21 C ATOM 693 C SER A 44 8.038 -4.134 -8.072 1.00 13.04 C ATOM 694 O SER A 44 7.031 -3.486 -7.783 1.00 54.05 O ATOM 695 CB SER A 44 9.229 -5.386 -6.117 1.00 74.23 C ATOM 696 OG SER A 44 10.152 -5.209 -5.051 1.00 71.42 O ATOM 0 H SER A 44 9.214 -3.123 -5.224 1.00 41.04 H new ATOM 0 HA SER A 44 10.139 -4.178 -7.679 1.00 35.21 H new ATOM 0 HB2 SER A 44 8.227 -5.537 -5.715 1.00 74.23 H new ATOM 0 HB3 SER A 44 9.485 -6.283 -6.681 1.00 74.23 H new ATOM 0 HG SER A 44 9.678 -4.877 -4.260 1.00 71.42 H new ATOM 702 N GLN A 45 8.159 -4.792 -9.254 1.00 14.13 N ATOM 703 CA GLN A 45 7.103 -4.767 -10.315 1.00 41.12 C ATOM 704 C GLN A 45 5.674 -5.074 -9.765 1.00 55.22 C ATOM 705 O GLN A 45 4.705 -4.372 -10.099 1.00 25.01 O ATOM 706 CB GLN A 45 7.474 -5.746 -11.473 1.00 3.14 C ATOM 707 CG GLN A 45 6.398 -5.893 -12.576 1.00 5.12 C ATOM 708 CD GLN A 45 6.791 -6.841 -13.716 1.00 0.22 C ATOM 709 OE1 GLN A 45 7.548 -7.787 -13.525 1.00 62.35 O ATOM 710 NE2 GLN A 45 6.257 -6.612 -14.906 1.00 44.40 N ATOM 0 H GLN A 45 8.977 -5.349 -9.502 1.00 14.13 H new ATOM 0 HA GLN A 45 7.069 -3.748 -10.702 1.00 41.12 H new ATOM 0 HB2 GLN A 45 8.401 -5.405 -11.934 1.00 3.14 H new ATOM 0 HB3 GLN A 45 7.673 -6.730 -11.047 1.00 3.14 H new ATOM 0 HG2 GLN A 45 5.475 -6.253 -12.122 1.00 5.12 H new ATOM 0 HG3 GLN A 45 6.185 -4.909 -12.994 1.00 5.12 H new ATOM 0 HE21 GLN A 45 5.630 -5.818 -15.040 1.00 44.40 H new ATOM 0 HE22 GLN A 45 6.472 -7.229 -15.689 1.00 44.40 H new ATOM 719 N GLU A 46 5.588 -6.058 -8.849 1.00 5.21 N ATOM 720 CA GLU A 46 4.311 -6.565 -8.287 1.00 34.24 C ATOM 721 C GLU A 46 3.784 -5.607 -7.188 1.00 74.34 C ATOM 722 O GLU A 46 2.591 -5.583 -6.864 1.00 12.03 O ATOM 723 CB GLU A 46 4.515 -7.992 -7.684 1.00 33.35 C ATOM 724 CG GLU A 46 5.124 -9.063 -8.637 1.00 60.35 C ATOM 725 CD GLU A 46 6.620 -8.856 -8.959 1.00 74.34 C ATOM 726 OE1 GLU A 46 7.394 -8.497 -8.033 1.00 45.30 O ATOM 727 OE2 GLU A 46 7.031 -9.047 -10.125 1.00 2.53 O ATOM 0 H GLU A 46 6.409 -6.531 -8.471 1.00 5.21 H new ATOM 0 HA GLU A 46 3.579 -6.617 -9.093 1.00 34.24 H new ATOM 0 HB2 GLU A 46 5.160 -7.905 -6.810 1.00 33.35 H new ATOM 0 HB3 GLU A 46 3.550 -8.356 -7.332 1.00 33.35 H new ATOM 0 HG2 GLU A 46 4.995 -10.047 -8.187 1.00 60.35 H new ATOM 0 HG3 GLU A 46 4.561 -9.063 -9.570 1.00 60.35 H new ATOM 734 N GLU A 47 4.712 -4.808 -6.667 1.00 21.22 N ATOM 735 CA GLU A 47 4.519 -3.888 -5.526 1.00 71.33 C ATOM 736 C GLU A 47 3.986 -2.553 -6.089 1.00 61.01 C ATOM 737 O GLU A 47 3.140 -1.879 -5.479 1.00 23.24 O ATOM 738 CB GLU A 47 5.913 -3.714 -4.815 1.00 44.32 C ATOM 739 CG GLU A 47 5.956 -3.146 -3.376 1.00 63.41 C ATOM 740 CD GLU A 47 7.383 -3.163 -2.769 1.00 32.42 C ATOM 741 OE1 GLU A 47 8.106 -4.187 -2.924 1.00 25.22 O ATOM 742 OE2 GLU A 47 7.779 -2.178 -2.122 1.00 2.20 O ATOM 0 H GLU A 47 5.662 -4.775 -7.037 1.00 21.22 H new ATOM 0 HA GLU A 47 3.803 -4.265 -4.795 1.00 71.33 H new ATOM 0 HB2 GLU A 47 6.398 -4.690 -4.798 1.00 44.32 H new ATOM 0 HB3 GLU A 47 6.524 -3.066 -5.443 1.00 44.32 H new ATOM 0 HG2 GLU A 47 5.580 -2.123 -3.382 1.00 63.41 H new ATOM 0 HG3 GLU A 47 5.288 -3.727 -2.740 1.00 63.41 H new ATOM 749 N ARG A 48 4.499 -2.226 -7.298 1.00 61.33 N ATOM 750 CA ARG A 48 4.035 -1.110 -8.122 1.00 34.52 C ATOM 751 C ARG A 48 2.613 -1.399 -8.594 1.00 13.11 C ATOM 752 O ARG A 48 1.757 -0.521 -8.565 1.00 60.41 O ATOM 753 CB ARG A 48 4.989 -0.897 -9.325 1.00 54.54 C ATOM 754 CG ARG A 48 4.744 0.413 -10.107 1.00 63.23 C ATOM 755 CD ARG A 48 5.589 0.506 -11.384 1.00 55.34 C ATOM 756 NE ARG A 48 7.029 0.383 -11.089 1.00 70.25 N ATOM 757 CZ ARG A 48 7.888 -0.445 -11.708 1.00 34.23 C ATOM 758 NH1 ARG A 48 7.480 -1.253 -12.681 1.00 32.12 N ATOM 759 NH2 ARG A 48 9.160 -0.443 -11.354 1.00 72.03 N ATOM 0 H ARG A 48 5.263 -2.748 -7.727 1.00 61.33 H new ATOM 0 HA ARG A 48 4.034 -0.192 -7.534 1.00 34.52 H new ATOM 0 HB2 ARG A 48 6.017 -0.904 -8.964 1.00 54.54 H new ATOM 0 HB3 ARG A 48 4.886 -1.739 -10.009 1.00 54.54 H new ATOM 0 HG2 ARG A 48 3.688 0.483 -10.369 1.00 63.23 H new ATOM 0 HG3 ARG A 48 4.970 1.263 -9.464 1.00 63.23 H new ATOM 0 HD2 ARG A 48 5.290 -0.280 -12.077 1.00 55.34 H new ATOM 0 HD3 ARG A 48 5.398 1.458 -11.880 1.00 55.34 H new ATOM 0 HE ARG A 48 7.406 0.978 -10.351 1.00 70.25 H new ATOM 0 HH11 ARG A 48 6.501 -1.251 -12.969 1.00 32.12 H new ATOM 0 HH12 ARG A 48 8.145 -1.875 -13.140 1.00 32.12 H new ATOM 0 HH21 ARG A 48 9.483 0.183 -10.617 1.00 72.03 H new ATOM 0 HH22 ARG A 48 9.819 -1.068 -11.818 1.00 72.03 H new ATOM 773 N ASN A 49 2.382 -2.671 -9.002 1.00 61.01 N ATOM 774 CA ASN A 49 1.044 -3.156 -9.371 1.00 64.32 C ATOM 775 C ASN A 49 0.059 -3.005 -8.187 1.00 71.43 C ATOM 776 O ASN A 49 -1.067 -2.572 -8.381 1.00 42.35 O ATOM 777 CB ASN A 49 1.083 -4.628 -9.885 1.00 23.34 C ATOM 778 CG ASN A 49 1.804 -4.799 -11.234 1.00 45.05 C ATOM 779 OD1 ASN A 49 2.000 -3.837 -11.983 1.00 32.14 O ATOM 780 ND2 ASN A 49 2.133 -6.035 -11.591 1.00 64.33 N ATOM 0 H ASN A 49 3.114 -3.377 -9.082 1.00 61.01 H new ATOM 0 HA ASN A 49 0.686 -2.537 -10.194 1.00 64.32 H new ATOM 0 HB2 ASN A 49 1.577 -5.250 -9.139 1.00 23.34 H new ATOM 0 HB3 ASN A 49 0.062 -4.996 -9.981 1.00 23.34 H new ATOM 0 HD21 ASN A 49 2.558 -6.207 -12.502 1.00 64.33 H new ATOM 0 HD22 ASN A 49 1.961 -6.813 -10.954 1.00 64.33 H new ATOM 787 N ALA A 50 0.535 -3.307 -6.961 1.00 11.13 N ATOM 788 CA ALA A 50 -0.274 -3.234 -5.721 1.00 54.33 C ATOM 789 C ALA A 50 -0.762 -1.799 -5.419 1.00 62.55 C ATOM 790 O ALA A 50 -1.964 -1.577 -5.220 1.00 63.13 O ATOM 791 CB ALA A 50 0.533 -3.786 -4.535 1.00 40.14 C ATOM 0 H ALA A 50 1.496 -3.610 -6.800 1.00 11.13 H new ATOM 0 HA ALA A 50 -1.163 -3.846 -5.875 1.00 54.33 H new ATOM 0 HB1 ALA A 50 -0.068 -3.729 -3.628 1.00 40.14 H new ATOM 0 HB2 ALA A 50 0.800 -4.825 -4.729 1.00 40.14 H new ATOM 0 HB3 ALA A 50 1.441 -3.196 -4.406 1.00 40.14 H new ATOM 797 N LEU A 51 0.180 -0.830 -5.393 1.00 3.11 N ATOM 798 CA LEU A 51 -0.134 0.577 -5.038 1.00 20.32 C ATOM 799 C LEU A 51 -0.890 1.306 -6.188 1.00 65.25 C ATOM 800 O LEU A 51 -1.677 2.225 -5.925 1.00 4.20 O ATOM 801 CB LEU A 51 1.161 1.356 -4.623 1.00 43.13 C ATOM 802 CG LEU A 51 2.055 0.748 -3.468 1.00 10.45 C ATOM 803 CD1 LEU A 51 3.307 1.623 -3.209 1.00 64.40 C ATOM 804 CD2 LEU A 51 1.278 0.513 -2.144 1.00 44.44 C ATOM 0 H LEU A 51 1.163 -0.993 -5.613 1.00 3.11 H new ATOM 0 HA LEU A 51 -0.802 0.556 -4.177 1.00 20.32 H new ATOM 0 HB2 LEU A 51 1.786 1.460 -5.510 1.00 43.13 H new ATOM 0 HB3 LEU A 51 0.864 2.361 -4.322 1.00 43.13 H new ATOM 0 HG LEU A 51 2.371 -0.233 -3.824 1.00 10.45 H new ATOM 0 HD11 LEU A 51 3.902 1.180 -2.410 1.00 64.40 H new ATOM 0 HD12 LEU A 51 3.906 1.680 -4.118 1.00 64.40 H new ATOM 0 HD13 LEU A 51 2.996 2.626 -2.916 1.00 64.40 H new ATOM 0 HD21 LEU A 51 1.952 0.095 -1.396 1.00 44.44 H new ATOM 0 HD22 LEU A 51 0.879 1.461 -1.783 1.00 44.44 H new ATOM 0 HD23 LEU A 51 0.457 -0.182 -2.322 1.00 44.44 H new ATOM 816 N ASN A 52 -0.644 0.886 -7.451 1.00 41.35 N ATOM 817 CA ASN A 52 -1.417 1.367 -8.631 1.00 22.24 C ATOM 818 C ASN A 52 -2.891 0.884 -8.582 1.00 22.15 C ATOM 819 O ASN A 52 -3.823 1.670 -8.818 1.00 51.05 O ATOM 820 CB ASN A 52 -0.761 0.943 -9.981 1.00 43.25 C ATOM 821 CG ASN A 52 0.487 1.758 -10.348 1.00 70.20 C ATOM 822 OD1 ASN A 52 1.253 2.182 -9.479 1.00 21.45 O ATOM 823 ND2 ASN A 52 0.674 2.024 -11.635 1.00 22.41 N ATOM 0 H ASN A 52 0.086 0.213 -7.684 1.00 41.35 H new ATOM 0 HA ASN A 52 -1.404 2.456 -8.580 1.00 22.24 H new ATOM 0 HB2 ASN A 52 -0.492 -0.112 -9.927 1.00 43.25 H new ATOM 0 HB3 ASN A 52 -1.497 1.044 -10.779 1.00 43.25 H new ATOM 0 HD21 ASN A 52 1.468 2.593 -11.928 1.00 22.41 H new ATOM 0 HD22 ASN A 52 0.024 1.659 -12.331 1.00 22.41 H new ATOM 830 N ILE A 53 -3.078 -0.419 -8.265 1.00 62.04 N ATOM 831 CA ILE A 53 -4.411 -1.053 -8.105 1.00 10.21 C ATOM 832 C ILE A 53 -5.202 -0.346 -6.992 1.00 35.40 C ATOM 833 O ILE A 53 -6.396 -0.035 -7.155 1.00 0.41 O ATOM 834 CB ILE A 53 -4.261 -2.605 -7.800 1.00 74.45 C ATOM 835 CG1 ILE A 53 -3.937 -3.390 -9.117 1.00 5.15 C ATOM 836 CG2 ILE A 53 -5.485 -3.208 -7.060 1.00 51.05 C ATOM 837 CD1 ILE A 53 -3.633 -4.869 -8.920 1.00 3.44 C ATOM 0 H ILE A 53 -2.304 -1.065 -8.112 1.00 62.04 H new ATOM 0 HA ILE A 53 -4.963 -0.949 -9.039 1.00 10.21 H new ATOM 0 HB ILE A 53 -3.423 -2.713 -7.111 1.00 74.45 H new ATOM 0 HG12 ILE A 53 -4.783 -3.295 -9.798 1.00 5.15 H new ATOM 0 HG13 ILE A 53 -3.082 -2.919 -9.603 1.00 5.15 H new ATOM 0 HG21 ILE A 53 -5.316 -4.270 -6.883 1.00 51.05 H new ATOM 0 HG22 ILE A 53 -5.621 -2.698 -6.106 1.00 51.05 H new ATOM 0 HG23 ILE A 53 -6.379 -3.079 -7.670 1.00 51.05 H new ATOM 0 HD11 ILE A 53 -3.421 -5.329 -9.885 1.00 3.44 H new ATOM 0 HD12 ILE A 53 -2.767 -4.979 -8.268 1.00 3.44 H new ATOM 0 HD13 ILE A 53 -4.494 -5.360 -8.466 1.00 3.44 H new ATOM 849 N ALA A 54 -4.494 -0.065 -5.878 1.00 61.44 N ATOM 850 CA ALA A 54 -5.046 0.657 -4.733 1.00 33.44 C ATOM 851 C ALA A 54 -5.500 2.064 -5.151 1.00 33.11 C ATOM 852 O ALA A 54 -6.613 2.466 -4.829 1.00 61.43 O ATOM 853 CB ALA A 54 -4.006 0.739 -3.609 1.00 34.04 C ATOM 0 H ALA A 54 -3.519 -0.338 -5.756 1.00 61.44 H new ATOM 0 HA ALA A 54 -5.916 0.113 -4.364 1.00 33.44 H new ATOM 0 HB1 ALA A 54 -4.428 1.279 -2.761 1.00 34.04 H new ATOM 0 HB2 ALA A 54 -3.728 -0.268 -3.296 1.00 34.04 H new ATOM 0 HB3 ALA A 54 -3.121 1.264 -3.969 1.00 34.04 H new ATOM 859 N GLU A 55 -4.630 2.769 -5.923 1.00 13.41 N ATOM 860 CA GLU A 55 -4.869 4.162 -6.372 1.00 43.35 C ATOM 861 C GLU A 55 -6.140 4.297 -7.237 1.00 62.42 C ATOM 862 O GLU A 55 -6.928 5.243 -7.050 1.00 2.53 O ATOM 863 CB GLU A 55 -3.654 4.697 -7.169 1.00 31.24 C ATOM 864 CG GLU A 55 -3.669 6.214 -7.445 1.00 50.24 C ATOM 865 CD GLU A 55 -3.477 7.042 -6.167 1.00 44.05 C ATOM 866 OE1 GLU A 55 -2.329 7.122 -5.683 1.00 25.54 O ATOM 867 OE2 GLU A 55 -4.455 7.611 -5.646 1.00 10.11 O ATOM 0 H GLU A 55 -3.744 2.384 -6.250 1.00 13.41 H new ATOM 0 HA GLU A 55 -5.012 4.754 -5.468 1.00 43.35 H new ATOM 0 HB2 GLU A 55 -2.744 4.452 -6.622 1.00 31.24 H new ATOM 0 HB3 GLU A 55 -3.604 4.171 -8.122 1.00 31.24 H new ATOM 0 HG2 GLU A 55 -2.880 6.459 -8.156 1.00 50.24 H new ATOM 0 HG3 GLU A 55 -4.615 6.486 -7.913 1.00 50.24 H new ATOM 874 N LYS A 56 -6.334 3.343 -8.179 1.00 5.30 N ATOM 875 CA LYS A 56 -7.510 3.353 -9.075 1.00 22.53 C ATOM 876 C LYS A 56 -8.805 3.160 -8.254 1.00 62.33 C ATOM 877 O LYS A 56 -9.835 3.790 -8.527 1.00 25.42 O ATOM 878 CB LYS A 56 -7.384 2.278 -10.195 1.00 43.14 C ATOM 879 CG LYS A 56 -6.325 2.593 -11.279 1.00 15.53 C ATOM 880 CD LYS A 56 -6.646 3.889 -12.062 1.00 1.44 C ATOM 881 CE LYS A 56 -5.604 4.213 -13.148 1.00 1.23 C ATOM 882 NZ LYS A 56 -5.949 5.456 -13.902 1.00 21.50 N ATOM 0 H LYS A 56 -5.695 2.563 -8.336 1.00 5.30 H new ATOM 0 HA LYS A 56 -7.555 4.324 -9.569 1.00 22.53 H new ATOM 0 HB2 LYS A 56 -7.139 1.321 -9.735 1.00 43.14 H new ATOM 0 HB3 LYS A 56 -8.354 2.161 -10.678 1.00 43.14 H new ATOM 0 HG2 LYS A 56 -5.346 2.689 -10.809 1.00 15.53 H new ATOM 0 HG3 LYS A 56 -6.263 1.757 -11.976 1.00 15.53 H new ATOM 0 HD2 LYS A 56 -7.627 3.792 -12.526 1.00 1.44 H new ATOM 0 HD3 LYS A 56 -6.705 4.723 -11.363 1.00 1.44 H new ATOM 0 HE2 LYS A 56 -4.623 4.329 -12.686 1.00 1.23 H new ATOM 0 HE3 LYS A 56 -5.532 3.376 -13.842 1.00 1.23 H new ATOM 0 HZ1 LYS A 56 -5.222 5.638 -14.623 1.00 21.50 H new ATOM 0 HZ2 LYS A 56 -6.873 5.336 -14.364 1.00 21.50 H new ATOM 0 HZ3 LYS A 56 -5.993 6.260 -13.244 1.00 21.50 H new ATOM 896 N ALA A 57 -8.705 2.326 -7.208 1.00 51.44 N ATOM 897 CA ALA A 57 -9.808 2.058 -6.278 1.00 72.21 C ATOM 898 C ALA A 57 -10.058 3.256 -5.321 1.00 70.23 C ATOM 899 O ALA A 57 -11.205 3.470 -4.889 1.00 2.15 O ATOM 900 CB ALA A 57 -9.529 0.765 -5.497 1.00 11.14 C ATOM 0 H ALA A 57 -7.850 1.816 -6.984 1.00 51.44 H new ATOM 0 HA ALA A 57 -10.721 1.926 -6.858 1.00 72.21 H new ATOM 0 HB1 ALA A 57 -10.351 0.571 -4.808 1.00 11.14 H new ATOM 0 HB2 ALA A 57 -9.435 -0.068 -6.194 1.00 11.14 H new ATOM 0 HB3 ALA A 57 -8.602 0.873 -4.934 1.00 11.14 H new ATOM 906 N LEU A 58 -8.982 4.031 -4.988 1.00 0.41 N ATOM 907 CA LEU A 58 -9.102 5.273 -4.174 1.00 73.11 C ATOM 908 C LEU A 58 -9.943 6.299 -4.964 1.00 23.14 C ATOM 909 O LEU A 58 -10.835 6.952 -4.403 1.00 44.30 O ATOM 910 CB LEU A 58 -7.700 5.930 -3.814 1.00 52.24 C ATOM 911 CG LEU A 58 -6.546 5.070 -3.071 1.00 74.43 C ATOM 912 CD1 LEU A 58 -5.227 5.869 -2.797 1.00 31.42 C ATOM 913 CD2 LEU A 58 -6.977 4.349 -1.751 1.00 5.13 C ATOM 0 H LEU A 58 -8.026 3.815 -5.272 1.00 0.41 H new ATOM 0 HA LEU A 58 -9.575 4.996 -3.232 1.00 73.11 H new ATOM 0 HB2 LEU A 58 -7.272 6.302 -4.745 1.00 52.24 H new ATOM 0 HB3 LEU A 58 -7.905 6.798 -3.188 1.00 52.24 H new ATOM 0 HG LEU A 58 -6.352 4.298 -3.816 1.00 74.43 H new ATOM 0 HD11 LEU A 58 -4.506 5.221 -2.297 1.00 31.42 H new ATOM 0 HD12 LEU A 58 -4.809 6.216 -3.742 1.00 31.42 H new ATOM 0 HD13 LEU A 58 -5.446 6.726 -2.161 1.00 31.42 H new ATOM 0 HD21 LEU A 58 -6.127 3.804 -1.340 1.00 5.13 H new ATOM 0 HD22 LEU A 58 -7.318 5.089 -1.027 1.00 5.13 H new ATOM 0 HD23 LEU A 58 -7.786 3.651 -1.965 1.00 5.13 H new ATOM 925 N ASP A 59 -9.661 6.398 -6.281 1.00 40.32 N ATOM 926 CA ASP A 59 -10.388 7.312 -7.191 1.00 34.14 C ATOM 927 C ASP A 59 -11.850 6.875 -7.359 1.00 74.14 C ATOM 928 O ASP A 59 -12.737 7.714 -7.536 1.00 23.20 O ATOM 929 CB ASP A 59 -9.697 7.388 -8.577 1.00 33.03 C ATOM 930 CG ASP A 59 -10.280 8.494 -9.484 1.00 65.54 C ATOM 931 OD1 ASP A 59 -10.857 8.186 -10.555 1.00 1.41 O ATOM 932 OD2 ASP A 59 -10.165 9.687 -9.122 1.00 13.54 O ATOM 0 H ASP A 59 -8.931 5.853 -6.740 1.00 40.32 H new ATOM 0 HA ASP A 59 -10.370 8.304 -6.739 1.00 34.14 H new ATOM 0 HB2 ASP A 59 -8.631 7.566 -8.436 1.00 33.03 H new ATOM 0 HB3 ASP A 59 -9.795 6.425 -9.079 1.00 33.03 H new ATOM 937 N ASN A 60 -12.085 5.547 -7.312 1.00 33.35 N ATOM 938 CA ASN A 60 -13.445 4.980 -7.390 1.00 41.34 C ATOM 939 C ASN A 60 -14.151 5.040 -6.007 1.00 51.42 C ATOM 940 O ASN A 60 -15.385 4.977 -5.952 1.00 61.10 O ATOM 941 CB ASN A 60 -13.409 3.514 -7.950 1.00 10.23 C ATOM 942 CG ASN A 60 -14.806 2.956 -8.280 1.00 23.32 C ATOM 943 OD1 ASN A 60 -15.699 3.689 -8.717 1.00 64.40 O ATOM 944 ND2 ASN A 60 -15.017 1.674 -8.049 1.00 43.33 N ATOM 0 H ASN A 60 -11.348 4.848 -7.220 1.00 33.35 H new ATOM 0 HA ASN A 60 -14.026 5.586 -8.085 1.00 41.34 H new ATOM 0 HB2 ASN A 60 -12.794 3.491 -8.849 1.00 10.23 H new ATOM 0 HB3 ASN A 60 -12.929 2.864 -7.218 1.00 10.23 H new ATOM 0 HD21 ASN A 60 -15.934 1.267 -8.232 1.00 43.33 H new ATOM 0 HD22 ASN A 60 -14.263 1.090 -7.688 1.00 43.33 H new ATOM 951 N SER A 61 -13.363 5.226 -4.908 1.00 32.51 N ATOM 952 CA SER A 61 -13.883 5.350 -3.530 1.00 24.01 C ATOM 953 C SER A 61 -14.809 4.166 -3.143 1.00 43.22 C ATOM 954 O SER A 61 -15.997 4.368 -2.851 1.00 64.30 O ATOM 955 CB SER A 61 -14.592 6.716 -3.342 1.00 43.03 C ATOM 956 OG SER A 61 -14.960 6.931 -1.987 1.00 32.23 O ATOM 0 H SER A 61 -12.347 5.293 -4.963 1.00 32.51 H new ATOM 0 HA SER A 61 -13.033 5.308 -2.850 1.00 24.01 H new ATOM 0 HB2 SER A 61 -13.932 7.518 -3.672 1.00 43.03 H new ATOM 0 HB3 SER A 61 -15.481 6.755 -3.972 1.00 43.03 H new ATOM 0 HG SER A 61 -15.583 6.230 -1.702 1.00 32.23 H new ATOM 962 N GLU A 62 -14.275 2.927 -3.199 1.00 13.14 N ATOM 963 CA GLU A 62 -15.051 1.717 -2.828 1.00 22.11 C ATOM 964 C GLU A 62 -15.380 1.703 -1.315 1.00 13.23 C ATOM 965 O GLU A 62 -16.560 1.802 -0.948 1.00 63.14 O ATOM 966 CB GLU A 62 -14.351 0.403 -3.292 1.00 35.34 C ATOM 967 CG GLU A 62 -14.539 0.092 -4.789 1.00 61.01 C ATOM 968 CD GLU A 62 -16.017 -0.106 -5.179 1.00 14.00 C ATOM 969 OE1 GLU A 62 -16.597 0.755 -5.867 1.00 44.53 O ATOM 970 OE2 GLU A 62 -16.613 -1.130 -4.779 1.00 34.44 O ATOM 0 H GLU A 62 -13.318 2.736 -3.495 1.00 13.14 H new ATOM 0 HA GLU A 62 -15.999 1.763 -3.364 1.00 22.11 H new ATOM 0 HB2 GLU A 62 -13.285 0.475 -3.077 1.00 35.34 H new ATOM 0 HB3 GLU A 62 -14.739 -0.430 -2.706 1.00 35.34 H new ATOM 0 HG2 GLU A 62 -14.118 0.906 -5.380 1.00 61.01 H new ATOM 0 HG3 GLU A 62 -13.978 -0.808 -5.041 1.00 61.01 H new ATOM 977 N TYR A 63 -14.341 1.617 -0.458 1.00 3.42 N ATOM 978 CA TYR A 63 -14.475 1.672 1.004 1.00 11.12 C ATOM 979 C TYR A 63 -13.048 1.561 1.596 1.00 41.14 C ATOM 980 O TYR A 63 -12.148 0.982 0.957 1.00 43.42 O ATOM 981 CB TYR A 63 -15.407 0.523 1.530 1.00 11.30 C ATOM 982 CG TYR A 63 -16.263 0.903 2.735 1.00 71.10 C ATOM 983 CD1 TYR A 63 -16.084 0.327 3.983 1.00 4.41 C ATOM 984 CD2 TYR A 63 -17.257 1.870 2.601 1.00 54.43 C ATOM 985 CE1 TYR A 63 -16.861 0.701 5.065 1.00 54.43 C ATOM 986 CE2 TYR A 63 -18.038 2.248 3.673 1.00 23.31 C ATOM 987 CZ TYR A 63 -17.832 1.664 4.903 1.00 61.40 C ATOM 988 OH TYR A 63 -18.605 2.039 5.978 1.00 11.20 O ATOM 0 H TYR A 63 -13.376 1.506 -0.770 1.00 3.42 H new ATOM 0 HA TYR A 63 -14.941 2.608 1.313 1.00 11.12 H new ATOM 0 HB2 TYR A 63 -16.063 0.206 0.720 1.00 11.30 H new ATOM 0 HB3 TYR A 63 -14.790 -0.335 1.795 1.00 11.30 H new ATOM 0 HD1 TYR A 63 -15.323 -0.428 4.113 1.00 4.41 H new ATOM 0 HD2 TYR A 63 -17.419 2.333 1.639 1.00 54.43 H new ATOM 0 HE1 TYR A 63 -16.707 0.241 6.030 1.00 54.43 H new ATOM 0 HE2 TYR A 63 -18.806 2.997 3.549 1.00 23.31 H new ATOM 0 HH TYR A 63 -19.242 2.729 5.698 1.00 11.20 H new ATOM 998 N LEU A 64 -12.846 2.037 2.838 1.00 21.33 N ATOM 999 CA LEU A 64 -11.466 2.122 3.427 1.00 32.33 C ATOM 1000 C LEU A 64 -11.015 0.700 3.856 1.00 12.24 C ATOM 1001 O LEU A 64 -9.925 0.263 3.458 1.00 70.31 O ATOM 1002 CB LEU A 64 -11.267 3.195 4.605 1.00 3.42 C ATOM 1003 CG LEU A 64 -10.672 4.638 4.312 1.00 25.34 C ATOM 1004 CD1 LEU A 64 -9.247 4.591 3.702 1.00 60.43 C ATOM 1005 CD2 LEU A 64 -11.601 5.607 3.520 1.00 32.52 C ATOM 0 H LEU A 64 -13.591 2.365 3.453 1.00 21.33 H new ATOM 0 HA LEU A 64 -10.823 2.511 2.638 1.00 32.33 H new ATOM 0 HB2 LEU A 64 -12.242 3.341 5.070 1.00 3.42 H new ATOM 0 HB3 LEU A 64 -10.623 2.731 5.353 1.00 3.42 H new ATOM 0 HG LEU A 64 -10.600 5.078 5.307 1.00 25.34 H new ATOM 0 HD11 LEU A 64 -8.894 5.607 3.524 1.00 60.43 H new ATOM 0 HD12 LEU A 64 -8.571 4.088 4.394 1.00 60.43 H new ATOM 0 HD13 LEU A 64 -9.273 4.045 2.759 1.00 60.43 H new ATOM 0 HD21 LEU A 64 -11.094 6.561 3.377 1.00 32.52 H new ATOM 0 HD22 LEU A 64 -11.837 5.172 2.549 1.00 32.52 H new ATOM 0 HD23 LEU A 64 -12.523 5.766 4.080 1.00 32.52 H new ATOM 1017 N PRO A 65 -11.860 -0.061 4.655 1.00 4.33 N ATOM 1018 CA PRO A 65 -11.695 -1.525 4.834 1.00 42.40 C ATOM 1019 C PRO A 65 -11.431 -2.304 3.533 1.00 3.22 C ATOM 1020 O PRO A 65 -10.660 -3.268 3.547 1.00 25.20 O ATOM 1021 CB PRO A 65 -13.061 -1.950 5.409 1.00 74.31 C ATOM 1022 CG PRO A 65 -13.491 -0.796 6.241 1.00 42.34 C ATOM 1023 CD PRO A 65 -12.967 0.441 5.531 1.00 43.32 C ATOM 0 HA PRO A 65 -10.827 -1.740 5.457 1.00 42.40 H new ATOM 0 HB2 PRO A 65 -13.779 -2.156 4.615 1.00 74.31 H new ATOM 0 HB3 PRO A 65 -12.975 -2.859 6.005 1.00 74.31 H new ATOM 0 HG2 PRO A 65 -14.577 -0.764 6.334 1.00 42.34 H new ATOM 0 HG3 PRO A 65 -13.086 -0.869 7.251 1.00 42.34 H new ATOM 0 HD2 PRO A 65 -13.750 0.921 4.944 1.00 43.32 H new ATOM 0 HD3 PRO A 65 -12.603 1.182 6.243 1.00 43.32 H new ATOM 1031 N LYS A 66 -12.054 -1.858 2.412 1.00 25.33 N ATOM 1032 CA LYS A 66 -12.071 -2.644 1.164 1.00 31.23 C ATOM 1033 C LYS A 66 -10.713 -2.550 0.465 1.00 23.44 C ATOM 1034 O LYS A 66 -10.190 -3.551 -0.029 1.00 35.42 O ATOM 1035 CB LYS A 66 -13.224 -2.219 0.198 1.00 2.32 C ATOM 1036 CG LYS A 66 -14.626 -2.762 0.577 1.00 60.44 C ATOM 1037 CD LYS A 66 -14.702 -4.307 0.637 1.00 21.52 C ATOM 1038 CE LYS A 66 -16.097 -4.799 1.052 1.00 30.32 C ATOM 1039 NZ LYS A 66 -16.174 -6.286 1.120 1.00 52.12 N ATOM 0 H LYS A 66 -12.545 -0.966 2.353 1.00 25.33 H new ATOM 0 HA LYS A 66 -12.264 -3.681 1.438 1.00 31.23 H new ATOM 0 HB2 LYS A 66 -13.269 -1.130 0.166 1.00 2.32 H new ATOM 0 HB3 LYS A 66 -12.979 -2.558 -0.808 1.00 2.32 H new ATOM 0 HG2 LYS A 66 -14.913 -2.355 1.547 1.00 60.44 H new ATOM 0 HG3 LYS A 66 -15.354 -2.400 -0.149 1.00 60.44 H new ATOM 0 HD2 LYS A 66 -14.447 -4.721 -0.339 1.00 21.52 H new ATOM 0 HD3 LYS A 66 -13.961 -4.679 1.344 1.00 21.52 H new ATOM 0 HE2 LYS A 66 -16.354 -4.379 2.025 1.00 30.32 H new ATOM 0 HE3 LYS A 66 -16.836 -4.431 0.341 1.00 30.32 H new ATOM 0 HZ1 LYS A 66 -17.133 -6.571 1.404 1.00 52.12 H new ATOM 0 HZ2 LYS A 66 -15.955 -6.688 0.186 1.00 52.12 H new ATOM 0 HZ3 LYS A 66 -15.488 -6.638 1.818 1.00 52.12 H new ATOM 1053 N ILE A 67 -10.132 -1.345 0.458 1.00 62.40 N ATOM 1054 CA ILE A 67 -8.833 -1.106 -0.191 1.00 34.45 C ATOM 1055 C ILE A 67 -7.678 -1.602 0.694 1.00 21.32 C ATOM 1056 O ILE A 67 -6.658 -2.066 0.174 1.00 12.14 O ATOM 1057 CB ILE A 67 -8.655 0.405 -0.574 1.00 62.13 C ATOM 1058 CG1 ILE A 67 -9.913 0.851 -1.389 1.00 2.25 C ATOM 1059 CG2 ILE A 67 -7.336 0.636 -1.368 1.00 31.02 C ATOM 1060 CD1 ILE A 67 -9.829 2.219 -2.008 1.00 33.25 C ATOM 0 H ILE A 67 -10.539 -0.518 0.894 1.00 62.40 H new ATOM 0 HA ILE A 67 -8.812 -1.679 -1.118 1.00 34.45 H new ATOM 0 HB ILE A 67 -8.574 1.012 0.328 1.00 62.13 H new ATOM 0 HG12 ILE A 67 -10.089 0.123 -2.181 1.00 2.25 H new ATOM 0 HG13 ILE A 67 -10.781 0.822 -0.730 1.00 2.25 H new ATOM 0 HG21 ILE A 67 -7.242 1.693 -1.618 1.00 31.02 H new ATOM 0 HG22 ILE A 67 -6.486 0.331 -0.758 1.00 31.02 H new ATOM 0 HG23 ILE A 67 -7.355 0.046 -2.285 1.00 31.02 H new ATOM 0 HD11 ILE A 67 -10.751 2.430 -2.550 1.00 33.25 H new ATOM 0 HD12 ILE A 67 -9.689 2.965 -1.225 1.00 33.25 H new ATOM 0 HD13 ILE A 67 -8.986 2.255 -2.698 1.00 33.25 H new ATOM 1072 N ILE A 68 -7.871 -1.549 2.036 1.00 42.30 N ATOM 1073 CA ILE A 68 -6.901 -2.132 2.992 1.00 72.15 C ATOM 1074 C ILE A 68 -6.892 -3.660 2.810 1.00 63.21 C ATOM 1075 O ILE A 68 -5.835 -4.280 2.840 1.00 70.12 O ATOM 1076 CB ILE A 68 -7.199 -1.752 4.500 1.00 62.34 C ATOM 1077 CG1 ILE A 68 -6.974 -0.222 4.749 1.00 20.31 C ATOM 1078 CG2 ILE A 68 -6.345 -2.601 5.490 1.00 43.25 C ATOM 1079 CD1 ILE A 68 -7.328 0.236 6.151 1.00 33.41 C ATOM 0 H ILE A 68 -8.682 -1.113 2.475 1.00 42.30 H new ATOM 0 HA ILE A 68 -5.920 -1.711 2.771 1.00 72.15 H new ATOM 0 HB ILE A 68 -8.248 -1.981 4.689 1.00 62.34 H new ATOM 0 HG12 ILE A 68 -5.929 0.017 4.553 1.00 20.31 H new ATOM 0 HG13 ILE A 68 -7.570 0.343 4.032 1.00 20.31 H new ATOM 0 HG21 ILE A 68 -6.579 -2.310 6.514 1.00 43.25 H new ATOM 0 HG22 ILE A 68 -6.572 -3.658 5.352 1.00 43.25 H new ATOM 0 HG23 ILE A 68 -5.286 -2.429 5.297 1.00 43.25 H new ATOM 0 HD11 ILE A 68 -7.144 1.307 6.241 1.00 33.41 H new ATOM 0 HD12 ILE A 68 -8.381 0.031 6.346 1.00 33.41 H new ATOM 0 HD13 ILE A 68 -6.714 -0.300 6.875 1.00 33.41 H new ATOM 1091 N LEU A 69 -8.088 -4.236 2.558 1.00 21.44 N ATOM 1092 CA LEU A 69 -8.250 -5.671 2.266 1.00 24.53 C ATOM 1093 C LEU A 69 -7.410 -6.049 1.027 1.00 62.23 C ATOM 1094 O LEU A 69 -6.543 -6.897 1.134 1.00 53.12 O ATOM 1095 CB LEU A 69 -9.754 -6.018 2.050 1.00 33.41 C ATOM 1096 CG LEU A 69 -10.121 -7.554 1.807 1.00 41.32 C ATOM 1097 CD1 LEU A 69 -9.504 -8.502 2.866 1.00 40.32 C ATOM 1098 CD2 LEU A 69 -11.662 -7.821 1.692 1.00 63.04 C ATOM 0 H LEU A 69 -8.966 -3.716 2.552 1.00 21.44 H new ATOM 0 HA LEU A 69 -7.894 -6.251 3.117 1.00 24.53 H new ATOM 0 HB2 LEU A 69 -10.309 -5.672 2.922 1.00 33.41 H new ATOM 0 HB3 LEU A 69 -10.113 -5.445 1.195 1.00 33.41 H new ATOM 0 HG LEU A 69 -9.671 -7.781 0.841 1.00 41.32 H new ATOM 0 HD11 LEU A 69 -9.790 -9.530 2.645 1.00 40.32 H new ATOM 0 HD12 LEU A 69 -8.418 -8.415 2.843 1.00 40.32 H new ATOM 0 HD13 LEU A 69 -9.869 -8.229 3.856 1.00 40.32 H new ATOM 0 HD21 LEU A 69 -11.836 -8.884 1.528 1.00 63.04 H new ATOM 0 HD22 LEU A 69 -12.155 -7.511 2.613 1.00 63.04 H new ATOM 0 HD23 LEU A 69 -12.068 -7.253 0.855 1.00 63.04 H new ATOM 1110 N ASN A 70 -7.618 -5.319 -0.102 1.00 45.43 N ATOM 1111 CA ASN A 70 -6.958 -5.615 -1.405 1.00 42.53 C ATOM 1112 C ASN A 70 -5.425 -5.434 -1.327 1.00 40.24 C ATOM 1113 O ASN A 70 -4.662 -6.246 -1.871 1.00 45.00 O ATOM 1114 CB ASN A 70 -7.503 -4.695 -2.545 1.00 73.43 C ATOM 1115 CG ASN A 70 -9.023 -4.686 -2.675 1.00 70.13 C ATOM 1116 OD1 ASN A 70 -9.696 -5.692 -2.437 1.00 62.22 O ATOM 1117 ND2 ASN A 70 -9.573 -3.536 -3.044 1.00 50.15 N ATOM 0 H ASN A 70 -8.243 -4.514 -0.136 1.00 45.43 H new ATOM 0 HA ASN A 70 -7.189 -6.656 -1.630 1.00 42.53 H new ATOM 0 HB2 ASN A 70 -7.160 -3.676 -2.368 1.00 73.43 H new ATOM 0 HB3 ASN A 70 -7.071 -5.017 -3.493 1.00 73.43 H new ATOM 0 HD21 ASN A 70 -10.586 -3.462 -3.139 1.00 50.15 H new ATOM 0 HD22 ASN A 70 -8.983 -2.726 -3.232 1.00 50.15 H new ATOM 1124 N LEU A 71 -4.985 -4.379 -0.612 1.00 61.11 N ATOM 1125 CA LEU A 71 -3.575 -3.938 -0.623 1.00 32.30 C ATOM 1126 C LEU A 71 -2.783 -4.925 0.257 1.00 61.25 C ATOM 1127 O LEU A 71 -1.712 -5.403 -0.113 1.00 13.13 O ATOM 1128 CB LEU A 71 -3.463 -2.457 -0.100 1.00 41.34 C ATOM 1129 CG LEU A 71 -2.349 -1.545 -0.733 1.00 42.02 C ATOM 1130 CD1 LEU A 71 -2.455 -0.089 -0.213 1.00 63.54 C ATOM 1131 CD2 LEU A 71 -0.924 -2.103 -0.516 1.00 22.03 C ATOM 0 H LEU A 71 -5.590 -3.814 -0.016 1.00 61.11 H new ATOM 0 HA LEU A 71 -3.165 -3.940 -1.633 1.00 32.30 H new ATOM 0 HB2 LEU A 71 -4.426 -1.971 -0.258 1.00 41.34 H new ATOM 0 HB3 LEU A 71 -3.297 -2.492 0.977 1.00 41.34 H new ATOM 0 HG LEU A 71 -2.527 -1.543 -1.808 1.00 42.02 H new ATOM 0 HD11 LEU A 71 -1.672 0.518 -0.668 1.00 63.54 H new ATOM 0 HD12 LEU A 71 -3.430 0.321 -0.475 1.00 63.54 H new ATOM 0 HD13 LEU A 71 -2.337 -0.080 0.871 1.00 63.54 H new ATOM 0 HD21 LEU A 71 -0.197 -1.432 -0.974 1.00 22.03 H new ATOM 0 HD22 LEU A 71 -0.723 -2.181 0.552 1.00 22.03 H new ATOM 0 HD23 LEU A 71 -0.846 -3.089 -0.973 1.00 22.03 H new ATOM 1143 N ARG A 72 -3.398 -5.261 1.400 1.00 20.12 N ATOM 1144 CA ARG A 72 -2.874 -6.253 2.357 1.00 25.51 C ATOM 1145 C ARG A 72 -3.016 -7.679 1.773 1.00 74.15 C ATOM 1146 O ARG A 72 -2.253 -8.568 2.133 1.00 4.04 O ATOM 1147 CB ARG A 72 -3.608 -6.121 3.738 1.00 51.43 C ATOM 1148 CG ARG A 72 -3.141 -7.059 4.861 1.00 52.42 C ATOM 1149 CD ARG A 72 -4.109 -7.031 6.057 1.00 52.03 C ATOM 1150 NE ARG A 72 -3.643 -7.875 7.158 1.00 34.44 N ATOM 1151 CZ ARG A 72 -4.370 -8.210 8.230 1.00 52.52 C ATOM 1152 NH1 ARG A 72 -5.628 -7.791 8.369 1.00 73.30 N ATOM 1153 NH2 ARG A 72 -3.839 -9.003 9.138 1.00 12.24 N ATOM 0 H ARG A 72 -4.284 -4.848 1.692 1.00 20.12 H new ATOM 0 HA ARG A 72 -1.814 -6.062 2.527 1.00 25.51 H new ATOM 0 HB2 ARG A 72 -3.497 -5.094 4.085 1.00 51.43 H new ATOM 0 HB3 ARG A 72 -4.672 -6.289 3.575 1.00 51.43 H new ATOM 0 HG2 ARG A 72 -3.063 -8.077 4.478 1.00 52.42 H new ATOM 0 HG3 ARG A 72 -2.144 -6.766 5.191 1.00 52.42 H new ATOM 0 HD2 ARG A 72 -4.222 -6.005 6.409 1.00 52.03 H new ATOM 0 HD3 ARG A 72 -5.094 -7.367 5.734 1.00 52.03 H new ATOM 0 HE ARG A 72 -2.690 -8.236 7.104 1.00 34.44 H new ATOM 0 HH11 ARG A 72 -6.052 -7.204 7.651 1.00 73.30 H new ATOM 0 HH12 ARG A 72 -6.166 -8.057 9.194 1.00 73.30 H new ATOM 0 HH21 ARG A 72 -2.888 -9.351 9.017 1.00 12.24 H new ATOM 0 HH22 ARG A 72 -4.379 -9.269 9.962 1.00 12.24 H new ATOM 1167 N LYS A 73 -3.969 -7.884 0.820 1.00 34.53 N ATOM 1168 CA LYS A 73 -4.195 -9.201 0.185 1.00 51.34 C ATOM 1169 C LYS A 73 -3.084 -9.438 -0.848 1.00 54.20 C ATOM 1170 O LYS A 73 -2.684 -10.577 -1.086 1.00 41.34 O ATOM 1171 CB LYS A 73 -5.635 -9.273 -0.452 1.00 2.03 C ATOM 1172 CG LYS A 73 -6.232 -10.686 -0.645 1.00 61.22 C ATOM 1173 CD LYS A 73 -5.730 -11.411 -1.912 1.00 65.32 C ATOM 1174 CE LYS A 73 -6.184 -12.872 -1.958 1.00 72.10 C ATOM 1175 NZ LYS A 73 -7.659 -13.019 -1.905 1.00 35.24 N ATOM 0 H LYS A 73 -4.589 -7.149 0.480 1.00 34.53 H new ATOM 0 HA LYS A 73 -4.152 -9.995 0.930 1.00 51.34 H new ATOM 0 HB2 LYS A 73 -6.315 -8.698 0.176 1.00 2.03 H new ATOM 0 HB3 LYS A 73 -5.604 -8.780 -1.424 1.00 2.03 H new ATOM 0 HG2 LYS A 73 -5.992 -11.293 0.228 1.00 61.22 H new ATOM 0 HG3 LYS A 73 -7.318 -10.607 -0.690 1.00 61.22 H new ATOM 0 HD2 LYS A 73 -6.097 -10.890 -2.796 1.00 65.32 H new ATOM 0 HD3 LYS A 73 -4.641 -11.369 -1.946 1.00 65.32 H new ATOM 0 HE2 LYS A 73 -5.810 -13.335 -2.871 1.00 72.10 H new ATOM 0 HE3 LYS A 73 -5.740 -13.412 -1.122 1.00 72.10 H new ATOM 0 HZ1 LYS A 73 -7.912 -14.023 -2.007 1.00 35.24 H new ATOM 0 HZ2 LYS A 73 -8.011 -12.665 -0.993 1.00 35.24 H new ATOM 0 HZ3 LYS A 73 -8.090 -12.473 -2.678 1.00 35.24 H new ATOM 1189 N ALA A 74 -2.583 -8.336 -1.437 1.00 52.01 N ATOM 1190 CA ALA A 74 -1.443 -8.368 -2.353 1.00 12.41 C ATOM 1191 C ALA A 74 -0.111 -8.502 -1.573 1.00 41.24 C ATOM 1192 O ALA A 74 0.750 -9.302 -1.961 1.00 33.41 O ATOM 1193 CB ALA A 74 -1.445 -7.110 -3.251 1.00 11.22 C ATOM 0 H ALA A 74 -2.962 -7.401 -1.287 1.00 52.01 H new ATOM 0 HA ALA A 74 -1.535 -9.244 -2.995 1.00 12.41 H new ATOM 0 HB1 ALA A 74 -0.592 -7.145 -3.928 1.00 11.22 H new ATOM 0 HB2 ALA A 74 -2.368 -7.078 -3.831 1.00 11.22 H new ATOM 0 HB3 ALA A 74 -1.377 -6.218 -2.628 1.00 11.22 H new ATOM 1199 N LEU A 75 0.045 -7.759 -0.446 1.00 42.20 N ATOM 1200 CA LEU A 75 1.357 -7.659 0.253 1.00 51.54 C ATOM 1201 C LEU A 75 1.610 -8.775 1.287 1.00 33.44 C ATOM 1202 O LEU A 75 2.775 -9.104 1.529 1.00 0.43 O ATOM 1203 CB LEU A 75 1.594 -6.256 0.920 1.00 54.11 C ATOM 1204 CG LEU A 75 1.499 -4.950 0.033 1.00 63.14 C ATOM 1205 CD1 LEU A 75 2.108 -3.728 0.773 1.00 73.53 C ATOM 1206 CD2 LEU A 75 2.106 -5.104 -1.391 1.00 43.42 C ATOM 0 H LEU A 75 -0.707 -7.228 -0.007 1.00 42.20 H new ATOM 0 HA LEU A 75 2.083 -7.790 -0.550 1.00 51.54 H new ATOM 0 HB2 LEU A 75 0.874 -6.154 1.732 1.00 54.11 H new ATOM 0 HB3 LEU A 75 2.585 -6.272 1.373 1.00 54.11 H new ATOM 0 HG LEU A 75 0.434 -4.776 -0.121 1.00 63.14 H new ATOM 0 HD11 LEU A 75 2.030 -2.844 0.141 1.00 73.53 H new ATOM 0 HD12 LEU A 75 1.565 -3.558 1.703 1.00 73.53 H new ATOM 0 HD13 LEU A 75 3.157 -3.923 0.995 1.00 73.53 H new ATOM 0 HD21 LEU A 75 2.001 -4.165 -1.935 1.00 43.42 H new ATOM 0 HD22 LEU A 75 3.162 -5.361 -1.310 1.00 43.42 H new ATOM 0 HD23 LEU A 75 1.581 -5.894 -1.927 1.00 43.42 H new ATOM 1218 N THR A 76 0.552 -9.357 1.895 1.00 72.02 N ATOM 1219 CA THR A 76 0.731 -10.434 2.905 1.00 50.04 C ATOM 1220 C THR A 76 1.448 -11.695 2.312 1.00 75.11 C ATOM 1221 O THR A 76 2.442 -12.119 2.899 1.00 50.42 O ATOM 1222 CB THR A 76 -0.599 -10.828 3.664 1.00 11.51 C ATOM 1223 OG1 THR A 76 -1.047 -9.721 4.450 1.00 61.51 O ATOM 1224 CG2 THR A 76 -0.430 -12.056 4.584 1.00 51.02 C ATOM 0 H THR A 76 -0.420 -9.108 1.711 1.00 72.02 H new ATOM 0 HA THR A 76 1.389 -10.003 3.659 1.00 50.04 H new ATOM 0 HB THR A 76 -1.331 -11.090 2.900 1.00 11.51 H new ATOM 0 HG1 THR A 76 -1.411 -9.028 3.861 1.00 61.51 H new ATOM 0 HG21 THR A 76 -1.378 -12.275 5.076 1.00 51.02 H new ATOM 0 HG22 THR A 76 -0.122 -12.916 3.990 1.00 51.02 H new ATOM 0 HG23 THR A 76 0.329 -11.845 5.337 1.00 51.02 H new ATOM 1232 N PRO A 77 1.020 -12.299 1.129 1.00 73.23 N ATOM 1233 CA PRO A 77 1.724 -13.488 0.567 1.00 44.21 C ATOM 1234 C PRO A 77 3.190 -13.193 0.167 1.00 52.02 C ATOM 1235 O PRO A 77 4.062 -14.057 0.315 1.00 22.43 O ATOM 1236 CB PRO A 77 0.877 -13.887 -0.676 1.00 54.12 C ATOM 1237 CG PRO A 77 -0.438 -13.199 -0.487 1.00 3.32 C ATOM 1238 CD PRO A 77 -0.130 -11.920 0.256 1.00 21.42 C ATOM 0 HA PRO A 77 1.799 -14.284 1.308 1.00 44.21 H new ATOM 0 HB2 PRO A 77 1.359 -13.569 -1.600 1.00 54.12 H new ATOM 0 HB3 PRO A 77 0.751 -14.968 -0.737 1.00 54.12 H new ATOM 0 HG2 PRO A 77 -0.911 -12.990 -1.446 1.00 3.32 H new ATOM 0 HG3 PRO A 77 -1.128 -13.824 0.080 1.00 3.32 H new ATOM 0 HD2 PRO A 77 0.132 -11.111 -0.426 1.00 21.42 H new ATOM 0 HD3 PRO A 77 -0.984 -11.579 0.841 1.00 21.42 H new ATOM 1246 N LEU A 78 3.448 -11.958 -0.325 1.00 61.20 N ATOM 1247 CA LEU A 78 4.813 -11.535 -0.740 1.00 65.05 C ATOM 1248 C LEU A 78 5.714 -11.305 0.495 1.00 75.14 C ATOM 1249 O LEU A 78 6.930 -11.515 0.428 1.00 61.22 O ATOM 1250 CB LEU A 78 4.809 -10.233 -1.624 1.00 61.05 C ATOM 1251 CG LEU A 78 3.839 -10.199 -2.875 1.00 70.33 C ATOM 1252 CD1 LEU A 78 3.868 -8.824 -3.601 1.00 70.02 C ATOM 1253 CD2 LEU A 78 4.112 -11.338 -3.897 1.00 32.43 C ATOM 0 H LEU A 78 2.735 -11.238 -0.445 1.00 61.20 H new ATOM 0 HA LEU A 78 5.209 -12.349 -1.347 1.00 65.05 H new ATOM 0 HB2 LEU A 78 4.556 -9.391 -0.980 1.00 61.05 H new ATOM 0 HB3 LEU A 78 5.825 -10.067 -1.982 1.00 61.05 H new ATOM 0 HG LEU A 78 2.843 -10.359 -2.462 1.00 70.33 H new ATOM 0 HD11 LEU A 78 3.188 -8.848 -4.452 1.00 70.02 H new ATOM 0 HD12 LEU A 78 3.557 -8.041 -2.910 1.00 70.02 H new ATOM 0 HD13 LEU A 78 4.880 -8.619 -3.951 1.00 70.02 H new ATOM 0 HD21 LEU A 78 3.412 -11.256 -4.729 1.00 32.43 H new ATOM 0 HD22 LEU A 78 5.132 -11.254 -4.271 1.00 32.43 H new ATOM 0 HD23 LEU A 78 3.983 -12.304 -3.409 1.00 32.43 H new ATOM 1265 N ALA A 79 5.094 -10.858 1.602 1.00 5.13 N ATOM 1266 CA ALA A 79 5.780 -10.647 2.889 1.00 12.23 C ATOM 1267 C ALA A 79 6.221 -11.999 3.480 1.00 21.20 C ATOM 1268 O ALA A 79 7.378 -12.169 3.873 1.00 4.41 O ATOM 1269 CB ALA A 79 4.859 -9.902 3.869 1.00 71.13 C ATOM 0 H ALA A 79 4.100 -10.632 1.629 1.00 5.13 H new ATOM 0 HA ALA A 79 6.667 -10.036 2.721 1.00 12.23 H new ATOM 0 HB1 ALA A 79 5.379 -9.753 4.815 1.00 71.13 H new ATOM 0 HB2 ALA A 79 4.587 -8.934 3.448 1.00 71.13 H new ATOM 0 HB3 ALA A 79 3.957 -10.490 4.039 1.00 71.13 H new ATOM 1275 N ILE A 80 5.284 -12.963 3.469 1.00 22.04 N ATOM 1276 CA ILE A 80 5.497 -14.329 3.999 1.00 14.25 C ATOM 1277 C ILE A 80 6.531 -15.091 3.138 1.00 11.10 C ATOM 1278 O ILE A 80 7.346 -15.852 3.667 1.00 44.54 O ATOM 1279 CB ILE A 80 4.112 -15.103 4.093 1.00 0.52 C ATOM 1280 CG1 ILE A 80 3.131 -14.325 5.052 1.00 51.41 C ATOM 1281 CG2 ILE A 80 4.290 -16.585 4.530 1.00 64.21 C ATOM 1282 CD1 ILE A 80 1.771 -14.962 5.245 1.00 55.51 C ATOM 0 H ILE A 80 4.348 -12.819 3.090 1.00 22.04 H new ATOM 0 HA ILE A 80 5.905 -14.262 5.007 1.00 14.25 H new ATOM 0 HB ILE A 80 3.675 -15.136 3.095 1.00 0.52 H new ATOM 0 HG12 ILE A 80 3.608 -14.223 6.027 1.00 51.41 H new ATOM 0 HG13 ILE A 80 2.989 -13.318 4.660 1.00 51.41 H new ATOM 0 HG21 ILE A 80 3.315 -17.070 4.579 1.00 64.21 H new ATOM 0 HG22 ILE A 80 4.918 -17.105 3.806 1.00 64.21 H new ATOM 0 HG23 ILE A 80 4.763 -16.621 5.512 1.00 64.21 H new ATOM 0 HD11 ILE A 80 1.175 -14.349 5.921 1.00 55.51 H new ATOM 0 HD12 ILE A 80 1.265 -15.038 4.283 1.00 55.51 H new ATOM 0 HD13 ILE A 80 1.893 -15.958 5.671 1.00 55.51 H new ATOM 1294 N ASN A 81 6.523 -14.837 1.812 1.00 51.52 N ATOM 1295 CA ASN A 81 7.555 -15.368 0.889 1.00 44.42 C ATOM 1296 C ASN A 81 8.834 -14.514 0.915 1.00 51.31 C ATOM 1297 O ASN A 81 9.824 -14.870 0.262 1.00 23.34 O ATOM 1298 CB ASN A 81 7.012 -15.503 -0.560 1.00 33.12 C ATOM 1299 CG ASN A 81 5.943 -16.591 -0.696 1.00 44.32 C ATOM 1300 OD1 ASN A 81 5.840 -17.496 0.133 1.00 32.53 O ATOM 1301 ND2 ASN A 81 5.177 -16.547 -1.766 1.00 14.43 N ATOM 0 H ASN A 81 5.813 -14.266 1.354 1.00 51.52 H new ATOM 0 HA ASN A 81 7.813 -16.366 1.243 1.00 44.42 H new ATOM 0 HB2 ASN A 81 6.593 -14.548 -0.876 1.00 33.12 H new ATOM 0 HB3 ASN A 81 7.839 -15.727 -1.233 1.00 33.12 H new ATOM 0 HD21 ASN A 81 4.478 -17.273 -1.923 1.00 14.43 H new ATOM 0 HD22 ASN A 81 5.282 -15.787 -2.438 1.00 14.43 H new ATOM 1308 N ARG A 82 8.787 -13.369 1.646 1.00 4.21 N ATOM 1309 CA ARG A 82 9.997 -12.599 2.058 1.00 52.34 C ATOM 1310 C ARG A 82 10.704 -12.011 0.809 1.00 12.22 C ATOM 1311 O ARG A 82 11.939 -12.062 0.691 1.00 21.40 O ATOM 1312 CB ARG A 82 11.023 -13.493 2.905 1.00 20.12 C ATOM 1313 CG ARG A 82 10.473 -14.465 4.027 1.00 52.12 C ATOM 1314 CD ARG A 82 10.496 -13.971 5.509 1.00 13.42 C ATOM 1315 NE ARG A 82 9.899 -14.993 6.390 1.00 55.24 N ATOM 1316 CZ ARG A 82 9.441 -14.792 7.638 1.00 30.30 C ATOM 1317 NH1 ARG A 82 9.496 -13.591 8.212 1.00 74.33 N ATOM 1318 NH2 ARG A 82 8.899 -15.805 8.296 1.00 62.41 N ATOM 0 H ARG A 82 7.913 -12.953 1.967 1.00 4.21 H new ATOM 0 HA ARG A 82 9.664 -11.787 2.704 1.00 52.34 H new ATOM 0 HB2 ARG A 82 11.588 -14.099 2.197 1.00 20.12 H new ATOM 0 HB3 ARG A 82 11.731 -12.814 3.380 1.00 20.12 H new ATOM 0 HG2 ARG A 82 9.442 -14.714 3.775 1.00 52.12 H new ATOM 0 HG3 ARG A 82 11.046 -15.391 3.976 1.00 52.12 H new ATOM 0 HD2 ARG A 82 11.521 -13.767 5.817 1.00 13.42 H new ATOM 0 HD3 ARG A 82 9.944 -13.035 5.598 1.00 13.42 H new ATOM 0 HE ARG A 82 9.827 -15.940 6.018 1.00 55.24 H new ATOM 0 HH11 ARG A 82 9.892 -12.800 7.703 1.00 74.33 H new ATOM 0 HH12 ARG A 82 9.142 -13.462 9.160 1.00 74.33 H new ATOM 0 HH21 ARG A 82 8.833 -16.723 7.855 1.00 62.41 H new ATOM 0 HH22 ARG A 82 8.547 -15.668 9.244 1.00 62.41 H new ATOM 1332 N THR A 83 9.914 -11.432 -0.118 1.00 72.23 N ATOM 1333 CA THR A 83 10.449 -10.880 -1.382 1.00 35.22 C ATOM 1334 C THR A 83 10.038 -9.405 -1.589 1.00 42.23 C ATOM 1335 O THR A 83 10.437 -8.785 -2.578 1.00 74.32 O ATOM 1336 CB THR A 83 10.008 -11.776 -2.603 1.00 13.23 C ATOM 1337 OG1 THR A 83 10.960 -11.660 -3.674 1.00 51.12 O ATOM 1338 CG2 THR A 83 8.614 -11.417 -3.140 1.00 33.45 C ATOM 0 H THR A 83 8.904 -11.334 -0.016 1.00 72.23 H new ATOM 0 HA THR A 83 11.537 -10.896 -1.318 1.00 35.22 H new ATOM 0 HB THR A 83 9.968 -12.800 -2.231 1.00 13.23 H new ATOM 0 HG1 THR A 83 10.677 -12.221 -4.426 1.00 51.12 H new ATOM 0 HG21 THR A 83 8.368 -12.068 -3.979 1.00 33.45 H new ATOM 0 HG22 THR A 83 7.875 -11.548 -2.350 1.00 33.45 H new ATOM 0 HG23 THR A 83 8.609 -10.379 -3.473 1.00 33.45 H new ATOM 1346 N LEU A 84 9.244 -8.844 -0.654 1.00 42.55 N ATOM 1347 CA LEU A 84 8.852 -7.417 -0.682 1.00 31.25 C ATOM 1348 C LEU A 84 10.086 -6.575 -0.285 1.00 12.22 C ATOM 1349 O LEU A 84 10.776 -6.929 0.667 1.00 32.31 O ATOM 1350 CB LEU A 84 7.627 -7.196 0.270 1.00 74.22 C ATOM 1351 CG LEU A 84 6.857 -5.812 0.175 1.00 73.11 C ATOM 1352 CD1 LEU A 84 5.366 -5.987 0.543 1.00 42.25 C ATOM 1353 CD2 LEU A 84 7.486 -4.702 1.054 1.00 63.24 C ATOM 0 H LEU A 84 8.858 -9.361 0.136 1.00 42.55 H new ATOM 0 HA LEU A 84 8.535 -7.104 -1.677 1.00 31.25 H new ATOM 0 HB2 LEU A 84 6.908 -7.993 0.081 1.00 74.22 H new ATOM 0 HB3 LEU A 84 7.974 -7.316 1.296 1.00 74.22 H new ATOM 0 HG LEU A 84 6.945 -5.489 -0.862 1.00 73.11 H new ATOM 0 HD11 LEU A 84 4.858 -5.025 0.471 1.00 42.25 H new ATOM 0 HD12 LEU A 84 4.902 -6.695 -0.144 1.00 42.25 H new ATOM 0 HD13 LEU A 84 5.285 -6.365 1.562 1.00 42.25 H new ATOM 0 HD21 LEU A 84 6.912 -3.782 0.944 1.00 63.24 H new ATOM 0 HD22 LEU A 84 7.474 -5.014 2.098 1.00 63.24 H new ATOM 0 HD23 LEU A 84 8.515 -4.528 0.739 1.00 63.24 H new ATOM 1365 N ASN A 85 10.352 -5.464 -1.018 1.00 4.44 N ATOM 1366 CA ASN A 85 11.638 -4.675 -0.888 1.00 72.32 C ATOM 1367 C ASN A 85 11.919 -4.239 0.586 1.00 10.33 C ATOM 1368 O ASN A 85 13.076 -3.994 0.957 1.00 50.42 O ATOM 1369 CB ASN A 85 11.688 -3.422 -1.836 1.00 55.45 C ATOM 1370 CG ASN A 85 13.059 -2.711 -1.851 1.00 73.02 C ATOM 1371 OD1 ASN A 85 14.105 -3.346 -1.738 1.00 31.11 O ATOM 1372 ND2 ASN A 85 13.068 -1.396 -1.987 1.00 74.12 N ATOM 0 H ASN A 85 9.705 -5.082 -1.708 1.00 4.44 H new ATOM 0 HA ASN A 85 12.425 -5.360 -1.202 1.00 72.32 H new ATOM 0 HB2 ASN A 85 11.439 -3.734 -2.850 1.00 55.45 H new ATOM 0 HB3 ASN A 85 10.923 -2.711 -1.525 1.00 55.45 H new ATOM 0 HD21 ASN A 85 13.954 -0.891 -2.000 1.00 74.12 H new ATOM 0 HD22 ASN A 85 12.189 -0.887 -2.079 1.00 74.12 H new ATOM 1379 N HIS A 86 10.837 -4.116 1.398 1.00 53.23 N ATOM 1380 CA HIS A 86 10.894 -3.922 2.879 1.00 73.21 C ATOM 1381 C HIS A 86 11.291 -2.474 3.266 1.00 21.22 C ATOM 1382 O HIS A 86 11.259 -2.105 4.448 1.00 11.23 O ATOM 1383 CB HIS A 86 11.820 -5.010 3.538 1.00 71.50 C ATOM 1384 CG HIS A 86 11.911 -5.003 5.051 1.00 40.32 C ATOM 1385 ND1 HIS A 86 11.022 -5.666 5.871 1.00 0.25 N ATOM 1386 CD2 HIS A 86 12.819 -4.433 5.890 1.00 70.13 C ATOM 1387 CE1 HIS A 86 11.379 -5.507 7.133 1.00 15.41 C ATOM 1388 NE2 HIS A 86 12.462 -4.764 7.169 1.00 61.11 N ATOM 0 H HIS A 86 9.882 -4.149 1.040 1.00 53.23 H new ATOM 0 HA HIS A 86 9.890 -4.062 3.280 1.00 73.21 H new ATOM 0 HB2 HIS A 86 11.467 -5.992 3.223 1.00 71.50 H new ATOM 0 HB3 HIS A 86 12.826 -4.889 3.136 1.00 71.50 H new ATOM 0 HD2 HIS A 86 13.666 -3.830 5.599 1.00 70.13 H new ATOM 0 HE1 HIS A 86 10.867 -5.918 7.990 1.00 15.41 H new ATOM 0 HE2 HIS A 86 12.957 -4.480 8.014 1.00 61.11 H new ATOM 1397 N ASP A 87 11.596 -1.635 2.257 1.00 41.03 N ATOM 1398 CA ASP A 87 11.999 -0.223 2.479 1.00 65.51 C ATOM 1399 C ASP A 87 10.775 0.667 2.867 1.00 54.32 C ATOM 1400 O ASP A 87 10.950 1.797 3.323 1.00 24.12 O ATOM 1401 CB ASP A 87 12.798 0.320 1.238 1.00 63.13 C ATOM 1402 CG ASP A 87 13.324 1.756 1.423 1.00 73.33 C ATOM 1403 OD1 ASP A 87 14.349 1.927 2.113 1.00 33.55 O ATOM 1404 OD2 ASP A 87 12.723 2.720 0.882 1.00 61.31 O ATOM 0 H ASP A 87 11.572 -1.908 1.274 1.00 41.03 H new ATOM 0 HA ASP A 87 12.675 -0.179 3.333 1.00 65.51 H new ATOM 0 HB2 ASP A 87 13.640 -0.344 1.040 1.00 63.13 H new ATOM 0 HB3 ASP A 87 12.154 0.288 0.359 1.00 63.13 H new ATOM 1409 N LEU A 88 9.534 0.132 2.714 1.00 42.35 N ATOM 1410 CA LEU A 88 8.300 0.772 3.213 1.00 71.32 C ATOM 1411 C LEU A 88 7.504 -0.247 4.044 1.00 23.31 C ATOM 1412 O LEU A 88 6.266 -0.248 4.036 1.00 52.04 O ATOM 1413 CB LEU A 88 7.416 1.368 2.076 1.00 63.32 C ATOM 1414 CG LEU A 88 7.089 0.433 0.858 1.00 51.42 C ATOM 1415 CD1 LEU A 88 5.675 0.715 0.302 1.00 12.23 C ATOM 1416 CD2 LEU A 88 8.148 0.606 -0.254 1.00 13.40 C ATOM 0 H LEU A 88 9.368 -0.756 2.240 1.00 42.35 H new ATOM 0 HA LEU A 88 8.595 1.616 3.836 1.00 71.32 H new ATOM 0 HB2 LEU A 88 6.473 1.692 2.516 1.00 63.32 H new ATOM 0 HB3 LEU A 88 7.913 2.260 1.694 1.00 63.32 H new ATOM 0 HG LEU A 88 7.114 -0.598 1.210 1.00 51.42 H new ATOM 0 HD11 LEU A 88 5.477 0.053 -0.541 1.00 12.23 H new ATOM 0 HD12 LEU A 88 4.935 0.540 1.083 1.00 12.23 H new ATOM 0 HD13 LEU A 88 5.614 1.752 -0.029 1.00 12.23 H new ATOM 0 HD21 LEU A 88 7.907 -0.049 -1.091 1.00 13.40 H new ATOM 0 HD22 LEU A 88 8.153 1.642 -0.593 1.00 13.40 H new ATOM 0 HD23 LEU A 88 9.132 0.347 0.137 1.00 13.40 H new ATOM 1428 N SER A 89 8.223 -1.079 4.811 1.00 11.33 N ATOM 1429 CA SER A 89 7.610 -2.141 5.631 1.00 13.32 C ATOM 1430 C SER A 89 6.736 -1.548 6.764 1.00 72.35 C ATOM 1431 O SER A 89 5.870 -2.235 7.307 1.00 21.20 O ATOM 1432 CB SER A 89 8.698 -3.072 6.206 1.00 72.42 C ATOM 1433 OG SER A 89 8.152 -4.324 6.612 1.00 72.33 O ATOM 0 H SER A 89 9.240 -1.038 4.882 1.00 11.33 H new ATOM 0 HA SER A 89 6.956 -2.728 4.986 1.00 13.32 H new ATOM 0 HB2 SER A 89 9.471 -3.237 5.455 1.00 72.42 H new ATOM 0 HB3 SER A 89 9.178 -2.590 7.057 1.00 72.42 H new ATOM 0 HG SER A 89 8.811 -5.033 6.459 1.00 72.33 H new ATOM 1439 N GLU A 90 6.971 -0.253 7.075 1.00 1.43 N ATOM 1440 CA GLU A 90 6.196 0.508 8.077 1.00 61.21 C ATOM 1441 C GLU A 90 4.764 0.791 7.571 1.00 51.35 C ATOM 1442 O GLU A 90 3.871 1.004 8.378 1.00 22.20 O ATOM 1443 CB GLU A 90 6.906 1.853 8.437 1.00 13.22 C ATOM 1444 CG GLU A 90 8.262 1.744 9.187 1.00 32.52 C ATOM 1445 CD GLU A 90 8.897 3.118 9.436 1.00 30.25 C ATOM 1446 OE1 GLU A 90 8.638 3.723 10.503 1.00 0.14 O ATOM 1447 OE2 GLU A 90 9.623 3.616 8.550 1.00 44.12 O ATOM 0 H GLU A 90 7.709 0.296 6.634 1.00 1.43 H new ATOM 0 HA GLU A 90 6.136 -0.105 8.976 1.00 61.21 H new ATOM 0 HB2 GLU A 90 7.071 2.409 7.514 1.00 13.22 H new ATOM 0 HB3 GLU A 90 6.225 2.445 9.048 1.00 13.22 H new ATOM 0 HG2 GLU A 90 8.109 1.238 10.140 1.00 32.52 H new ATOM 0 HG3 GLU A 90 8.948 1.128 8.606 1.00 32.52 H new ATOM 1454 N LEU A 91 4.571 0.824 6.235 1.00 24.23 N ATOM 1455 CA LEU A 91 3.227 0.963 5.618 1.00 3.42 C ATOM 1456 C LEU A 91 2.431 -0.335 5.882 1.00 72.14 C ATOM 1457 O LEU A 91 1.256 -0.301 6.303 1.00 55.31 O ATOM 1458 CB LEU A 91 3.357 1.255 4.076 1.00 24.34 C ATOM 1459 CG LEU A 91 2.232 2.124 3.396 1.00 50.50 C ATOM 1460 CD1 LEU A 91 2.587 2.423 1.920 1.00 43.15 C ATOM 1461 CD2 LEU A 91 0.824 1.497 3.513 1.00 1.23 C ATOM 0 H LEU A 91 5.330 0.756 5.557 1.00 24.23 H new ATOM 0 HA LEU A 91 2.695 1.805 6.060 1.00 3.42 H new ATOM 0 HB2 LEU A 91 4.312 1.753 3.909 1.00 24.34 H new ATOM 0 HB3 LEU A 91 3.401 0.298 3.556 1.00 24.34 H new ATOM 0 HG LEU A 91 2.192 3.064 3.946 1.00 50.50 H new ATOM 0 HD11 LEU A 91 1.797 3.024 1.470 1.00 43.15 H new ATOM 0 HD12 LEU A 91 3.529 2.970 1.876 1.00 43.15 H new ATOM 0 HD13 LEU A 91 2.686 1.486 1.373 1.00 43.15 H new ATOM 0 HD21 LEU A 91 0.096 2.145 3.025 1.00 1.23 H new ATOM 0 HD22 LEU A 91 0.820 0.519 3.032 1.00 1.23 H new ATOM 0 HD23 LEU A 91 0.562 1.385 4.565 1.00 1.23 H new ATOM 1473 N TYR A 92 3.117 -1.478 5.668 1.00 1.43 N ATOM 1474 CA TYR A 92 2.534 -2.806 5.866 1.00 43.44 C ATOM 1475 C TYR A 92 2.207 -3.028 7.365 1.00 3.42 C ATOM 1476 O TYR A 92 1.174 -3.622 7.711 1.00 32.04 O ATOM 1477 CB TYR A 92 3.479 -3.914 5.332 1.00 73.30 C ATOM 1478 CG TYR A 92 2.921 -5.341 5.485 1.00 44.24 C ATOM 1479 CD1 TYR A 92 3.664 -6.346 6.101 1.00 2.44 C ATOM 1480 CD2 TYR A 92 1.636 -5.675 5.027 1.00 73.40 C ATOM 1481 CE1 TYR A 92 3.157 -7.619 6.254 1.00 52.21 C ATOM 1482 CE2 TYR A 92 1.130 -6.945 5.179 1.00 31.01 C ATOM 1483 CZ TYR A 92 1.893 -7.915 5.790 1.00 22.30 C ATOM 1484 OH TYR A 92 1.389 -9.187 5.942 1.00 12.54 O ATOM 0 H TYR A 92 4.087 -1.498 5.354 1.00 1.43 H new ATOM 0 HA TYR A 92 1.606 -2.864 5.298 1.00 43.44 H new ATOM 0 HB2 TYR A 92 3.683 -3.726 4.278 1.00 73.30 H new ATOM 0 HB3 TYR A 92 4.432 -3.849 5.858 1.00 73.30 H new ATOM 0 HD1 TYR A 92 4.656 -6.124 6.466 1.00 2.44 H new ATOM 0 HD2 TYR A 92 1.033 -4.919 4.546 1.00 73.40 H new ATOM 0 HE1 TYR A 92 3.749 -8.383 6.736 1.00 52.21 H new ATOM 0 HE2 TYR A 92 0.139 -7.180 4.821 1.00 31.01 H new ATOM 0 HH TYR A 92 0.528 -9.255 5.479 1.00 12.54 H new ATOM 1494 N LYS A 93 3.103 -2.513 8.237 1.00 13.11 N ATOM 1495 CA LYS A 93 2.940 -2.547 9.700 1.00 65.05 C ATOM 1496 C LYS A 93 1.765 -1.653 10.129 1.00 3.51 C ATOM 1497 O LYS A 93 0.981 -2.025 11.000 1.00 33.35 O ATOM 1498 CB LYS A 93 4.253 -2.087 10.401 1.00 34.13 C ATOM 1499 CG LYS A 93 4.165 -2.025 11.947 1.00 13.34 C ATOM 1500 CD LYS A 93 5.438 -1.440 12.608 1.00 1.34 C ATOM 1501 CE LYS A 93 5.272 -1.254 14.129 1.00 53.22 C ATOM 1502 NZ LYS A 93 6.459 -0.605 14.749 1.00 33.13 N ATOM 0 H LYS A 93 3.966 -2.059 7.938 1.00 13.11 H new ATOM 0 HA LYS A 93 2.724 -3.572 10.001 1.00 65.05 H new ATOM 0 HB2 LYS A 93 5.057 -2.768 10.122 1.00 34.13 H new ATOM 0 HB3 LYS A 93 4.525 -1.101 10.025 1.00 34.13 H new ATOM 0 HG2 LYS A 93 3.305 -1.419 12.231 1.00 13.34 H new ATOM 0 HG3 LYS A 93 3.990 -3.029 12.335 1.00 13.34 H new ATOM 0 HD2 LYS A 93 6.282 -2.102 12.415 1.00 1.34 H new ATOM 0 HD3 LYS A 93 5.674 -0.480 12.150 1.00 1.34 H new ATOM 0 HE2 LYS A 93 4.386 -0.650 14.325 1.00 53.22 H new ATOM 0 HE3 LYS A 93 5.105 -2.225 14.596 1.00 53.22 H new ATOM 0 HZ1 LYS A 93 6.303 -0.500 15.772 1.00 33.13 H new ATOM 0 HZ2 LYS A 93 7.301 -1.193 14.586 1.00 33.13 H new ATOM 0 HZ3 LYS A 93 6.604 0.333 14.323 1.00 33.13 H new ATOM 1516 N PHE A 94 1.652 -0.485 9.472 1.00 32.21 N ATOM 1517 CA PHE A 94 0.635 0.537 9.784 1.00 35.33 C ATOM 1518 C PHE A 94 -0.787 -0.036 9.619 1.00 61.23 C ATOM 1519 O PHE A 94 -1.595 0.001 10.567 1.00 4.43 O ATOM 1520 CB PHE A 94 0.867 1.787 8.886 1.00 12.10 C ATOM 1521 CG PHE A 94 -0.080 2.956 9.127 1.00 23.50 C ATOM 1522 CD1 PHE A 94 -1.117 3.240 8.236 1.00 15.34 C ATOM 1523 CD2 PHE A 94 0.067 3.772 10.248 1.00 61.13 C ATOM 1524 CE1 PHE A 94 -1.969 4.301 8.462 1.00 14.04 C ATOM 1525 CE2 PHE A 94 -0.791 4.830 10.471 1.00 63.41 C ATOM 1526 CZ PHE A 94 -1.806 5.095 9.580 1.00 21.31 C ATOM 0 H PHE A 94 2.268 -0.221 8.703 1.00 32.21 H new ATOM 0 HA PHE A 94 0.732 0.841 10.826 1.00 35.33 H new ATOM 0 HB2 PHE A 94 1.889 2.134 9.035 1.00 12.10 H new ATOM 0 HB3 PHE A 94 0.782 1.483 7.843 1.00 12.10 H new ATOM 0 HD1 PHE A 94 -1.253 2.622 7.361 1.00 15.34 H new ATOM 0 HD2 PHE A 94 0.863 3.574 10.951 1.00 61.13 H new ATOM 0 HE1 PHE A 94 -2.765 4.511 7.763 1.00 14.04 H new ATOM 0 HE2 PHE A 94 -0.666 5.451 11.346 1.00 63.41 H new ATOM 0 HZ PHE A 94 -2.475 5.924 9.755 1.00 21.31 H new ATOM 1536 N ILE A 95 -1.045 -0.663 8.446 1.00 62.00 N ATOM 1537 CA ILE A 95 -2.385 -1.223 8.108 1.00 5.53 C ATOM 1538 C ILE A 95 -2.710 -2.513 8.900 1.00 55.33 C ATOM 1539 O ILE A 95 -3.771 -3.091 8.699 1.00 32.43 O ATOM 1540 CB ILE A 95 -2.607 -1.436 6.552 1.00 44.11 C ATOM 1541 CG1 ILE A 95 -1.912 -2.740 6.003 1.00 22.45 C ATOM 1542 CG2 ILE A 95 -2.191 -0.169 5.776 1.00 2.23 C ATOM 1543 CD1 ILE A 95 -1.603 -2.751 4.503 1.00 61.12 C ATOM 0 H ILE A 95 -0.346 -0.796 7.715 1.00 62.00 H new ATOM 0 HA ILE A 95 -3.095 -0.458 8.422 1.00 5.53 H new ATOM 0 HB ILE A 95 -3.673 -1.597 6.389 1.00 44.11 H new ATOM 0 HG12 ILE A 95 -0.980 -2.889 6.548 1.00 22.45 H new ATOM 0 HG13 ILE A 95 -2.552 -3.593 6.229 1.00 22.45 H new ATOM 0 HG21 ILE A 95 -2.348 -0.328 4.709 1.00 2.23 H new ATOM 0 HG22 ILE A 95 -2.793 0.676 6.110 1.00 2.23 H new ATOM 0 HG23 ILE A 95 -1.137 0.041 5.960 1.00 2.23 H new ATOM 0 HD11 ILE A 95 -1.127 -3.694 4.237 1.00 61.12 H new ATOM 0 HD12 ILE A 95 -2.530 -2.641 3.940 1.00 61.12 H new ATOM 0 HD13 ILE A 95 -0.932 -1.926 4.264 1.00 61.12 H new ATOM 1555 N THR A 96 -1.784 -2.979 9.771 1.00 62.51 N ATOM 1556 CA THR A 96 -2.034 -4.121 10.683 1.00 64.13 C ATOM 1557 C THR A 96 -1.938 -3.703 12.171 1.00 12.44 C ATOM 1558 O THR A 96 -2.320 -4.480 13.048 1.00 20.44 O ATOM 1559 CB THR A 96 -1.040 -5.302 10.415 1.00 21.32 C ATOM 1560 OG1 THR A 96 0.288 -4.790 10.294 1.00 23.15 O ATOM 1561 CG2 THR A 96 -1.384 -6.105 9.152 1.00 41.00 C ATOM 0 H THR A 96 -0.850 -2.578 9.861 1.00 62.51 H new ATOM 0 HA THR A 96 -3.050 -4.457 10.478 1.00 64.13 H new ATOM 0 HB THR A 96 -1.122 -5.981 11.263 1.00 21.32 H new ATOM 0 HG1 THR A 96 0.429 -4.458 9.383 1.00 23.15 H new ATOM 0 HG21 THR A 96 -0.658 -6.908 9.022 1.00 41.00 H new ATOM 0 HG22 THR A 96 -2.382 -6.531 9.252 1.00 41.00 H new ATOM 0 HG23 THR A 96 -1.356 -5.447 8.284 1.00 41.00 H new