USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 541 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 56 THR OG1 : rot 122:sc= -0.328 USER MOD Set 1.2: A 66 THR OG1 : rot 69:sc= -1.16! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.49) USER MOD Single : A 39 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.014) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -46:sc= 0.749 USER MOD Single : A 44 ASN : amide:sc=-0.00271 X(o=-0.0027,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.143 F(o=-0.68,f=-0.14) USER MOD Single : A 65 LYS NZ :NH3+ -145:sc= -0.759 (180deg=-2.59!) USER MOD Single : A 67 MET CE :methyl -152:sc= -2.25! (180deg=-4.11!) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -143:sc=-0.00631 (180deg=-0.292) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.021 F(o=-0.65,f=-0.021) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 29:sc= 0.345 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 432 N VAL A 31 13.718 -24.322 -9.604 1.00 24.03 N ATOM 433 CA VAL A 31 13.166 -22.973 -9.559 1.00 64.14 C ATOM 434 C VAL A 31 11.950 -22.908 -8.640 1.00 23.24 C ATOM 435 O VAL A 31 10.935 -22.302 -8.980 1.00 23.05 O ATOM 436 CB VAL A 31 12.760 -22.486 -10.963 1.00 21.14 C ATOM 437 CG1 VAL A 31 13.981 -22.378 -11.864 1.00 53.04 C ATOM 438 CG2 VAL A 31 11.720 -23.415 -11.569 1.00 43.54 C ATOM 0 HA VAL A 31 13.949 -22.323 -9.169 1.00 64.14 H new ATOM 0 HB VAL A 31 12.317 -21.494 -10.871 1.00 21.14 H new ATOM 0 HG11 VAL A 31 13.675 -22.033 -12.852 1.00 53.04 H new ATOM 0 HG12 VAL A 31 14.688 -21.669 -11.435 1.00 53.04 H new ATOM 0 HG13 VAL A 31 14.456 -23.355 -11.952 1.00 53.04 H new ATOM 0 HG21 VAL A 31 11.445 -23.056 -12.561 1.00 43.54 H new ATOM 0 HG22 VAL A 31 12.133 -24.421 -11.649 1.00 43.54 H new ATOM 0 HG23 VAL A 31 10.836 -23.436 -10.932 1.00 43.54 H new ATOM 448 N GLU A 32 12.064 -23.536 -7.473 1.00 14.20 N ATOM 449 CA GLU A 32 10.974 -23.547 -6.505 1.00 62.53 C ATOM 450 C GLU A 32 10.735 -22.152 -5.936 1.00 0.32 C ATOM 451 O GLU A 32 9.614 -21.805 -5.564 1.00 22.44 O ATOM 452 CB GLU A 32 11.281 -24.528 -5.371 1.00 33.14 C ATOM 453 CG GLU A 32 12.480 -24.125 -4.527 1.00 31.31 C ATOM 454 CD GLU A 32 12.759 -25.106 -3.404 1.00 40.45 C ATOM 455 OE1 GLU A 32 11.799 -25.747 -2.925 1.00 50.41 O ATOM 456 OE2 GLU A 32 13.935 -25.233 -3.005 1.00 10.42 O ATOM 0 H GLU A 32 12.898 -24.042 -7.176 1.00 14.20 H new ATOM 0 HA GLU A 32 10.069 -23.869 -7.020 1.00 62.53 H new ATOM 0 HB2 GLU A 32 10.405 -24.612 -4.727 1.00 33.14 H new ATOM 0 HB3 GLU A 32 11.461 -25.516 -5.795 1.00 33.14 H new ATOM 0 HG2 GLU A 32 13.360 -24.049 -5.165 1.00 31.31 H new ATOM 0 HG3 GLU A 32 12.306 -23.135 -4.105 1.00 31.31 H new ATOM 464 N SER A 33 11.798 -21.356 -5.870 1.00 23.22 N ATOM 465 CA SER A 33 11.706 -20.000 -5.343 1.00 1.21 C ATOM 466 C SER A 33 12.508 -19.027 -6.203 1.00 71.50 C ATOM 467 O SER A 33 12.841 -17.926 -5.767 1.00 31.22 O ATOM 468 CB SER A 33 12.211 -19.956 -3.899 1.00 64.44 C ATOM 469 OG SER A 33 11.361 -20.696 -3.039 1.00 61.32 O ATOM 0 H SER A 33 12.733 -21.627 -6.175 1.00 23.22 H new ATOM 0 HA SER A 33 10.659 -19.699 -5.364 1.00 1.21 H new ATOM 0 HB2 SER A 33 13.222 -20.360 -3.852 1.00 64.44 H new ATOM 0 HB3 SER A 33 12.265 -18.921 -3.560 1.00 64.44 H new ATOM 0 HG SER A 33 11.706 -20.654 -2.123 1.00 61.32 H new ATOM 475 N ASP A 34 12.813 -19.444 -7.427 1.00 14.15 N ATOM 476 CA ASP A 34 13.574 -18.610 -8.350 1.00 52.33 C ATOM 477 C ASP A 34 12.646 -17.718 -9.168 1.00 42.20 C ATOM 478 O ASP A 34 13.016 -16.609 -9.558 1.00 74.30 O ATOM 479 CB ASP A 34 14.417 -19.482 -9.282 1.00 70.15 C ATOM 480 CG ASP A 34 15.369 -18.667 -10.133 1.00 44.21 C ATOM 481 OD1 ASP A 34 15.730 -17.547 -9.714 1.00 1.23 O ATOM 482 OD2 ASP A 34 15.756 -19.148 -11.218 1.00 64.22 O ATOM 0 H ASP A 34 12.545 -20.354 -7.803 1.00 14.15 H new ATOM 0 HA ASP A 34 14.236 -17.973 -7.764 1.00 52.33 H new ATOM 0 HB2 ASP A 34 14.986 -20.198 -8.689 1.00 70.15 H new ATOM 0 HB3 ASP A 34 13.757 -20.059 -9.931 1.00 70.15 H new ATOM 488 N LEU A 35 11.439 -18.209 -9.426 1.00 53.43 N ATOM 489 CA LEU A 35 10.456 -17.457 -10.200 1.00 4.53 C ATOM 490 C LEU A 35 10.174 -16.104 -9.554 1.00 71.41 C ATOM 491 O LEU A 35 9.761 -15.157 -10.225 1.00 23.42 O ATOM 492 CB LEU A 35 9.158 -18.255 -10.327 1.00 14.23 C ATOM 493 CG LEU A 35 9.046 -19.165 -11.550 1.00 15.31 C ATOM 494 CD1 LEU A 35 9.074 -18.344 -12.830 1.00 3.15 C ATOM 495 CD2 LEU A 35 10.164 -20.197 -11.551 1.00 33.11 C ATOM 0 H LEU A 35 11.117 -19.124 -9.111 1.00 53.43 H new ATOM 0 HA LEU A 35 10.868 -17.285 -11.195 1.00 4.53 H new ATOM 0 HB2 LEU A 35 9.042 -18.867 -9.432 1.00 14.23 H new ATOM 0 HB3 LEU A 35 8.324 -17.553 -10.344 1.00 14.23 H new ATOM 0 HG LEU A 35 8.093 -19.692 -11.501 1.00 15.31 H new ATOM 0 HD11 LEU A 35 8.993 -19.008 -13.690 1.00 3.15 H new ATOM 0 HD12 LEU A 35 8.238 -17.645 -12.832 1.00 3.15 H new ATOM 0 HD13 LEU A 35 10.011 -17.790 -12.886 1.00 3.15 H new ATOM 0 HD21 LEU A 35 10.068 -20.836 -12.429 1.00 33.11 H new ATOM 0 HD22 LEU A 35 11.128 -19.689 -11.575 1.00 33.11 H new ATOM 0 HD23 LEU A 35 10.098 -20.806 -10.650 1.00 33.11 H new ATOM 507 N ASP A 36 10.401 -16.020 -8.247 1.00 22.04 N ATOM 508 CA ASP A 36 10.175 -14.782 -7.510 1.00 3.21 C ATOM 509 C ASP A 36 10.888 -13.611 -8.181 1.00 62.42 C ATOM 510 O ASP A 36 10.436 -12.470 -8.103 1.00 50.01 O ATOM 511 CB ASP A 36 10.656 -14.928 -6.066 1.00 30.21 C ATOM 512 CG ASP A 36 12.150 -14.712 -5.928 1.00 50.22 C ATOM 513 OD1 ASP A 36 12.556 -13.897 -5.074 1.00 24.52 O ATOM 514 OD2 ASP A 36 12.914 -15.359 -6.675 1.00 73.34 O ATOM 0 H ASP A 36 10.741 -16.794 -7.677 1.00 22.04 H new ATOM 0 HA ASP A 36 9.104 -14.579 -7.509 1.00 3.21 H new ATOM 0 HB2 ASP A 36 10.129 -14.211 -5.436 1.00 30.21 H new ATOM 0 HB3 ASP A 36 10.400 -15.922 -5.700 1.00 30.21 H new ATOM 520 N MET A 37 12.006 -13.905 -8.839 1.00 75.33 N ATOM 521 CA MET A 37 12.781 -12.877 -9.523 1.00 13.23 C ATOM 522 C MET A 37 12.173 -12.553 -10.885 1.00 33.45 C ATOM 523 O MET A 37 12.204 -11.407 -11.330 1.00 0.53 O ATOM 524 CB MET A 37 14.231 -13.331 -9.693 1.00 2.32 C ATOM 525 CG MET A 37 15.037 -12.450 -10.635 1.00 34.44 C ATOM 526 SD MET A 37 16.699 -12.116 -10.021 1.00 30.43 S ATOM 527 CE MET A 37 16.759 -10.332 -10.160 1.00 5.35 C ATOM 0 H MET A 37 12.394 -14.845 -8.912 1.00 75.33 H new ATOM 0 HA MET A 37 12.760 -11.974 -8.912 1.00 13.23 H new ATOM 0 HB2 MET A 37 14.716 -13.344 -8.717 1.00 2.32 H new ATOM 0 HB3 MET A 37 14.241 -14.354 -10.068 1.00 2.32 H new ATOM 0 HG2 MET A 37 15.104 -12.933 -11.610 1.00 34.44 H new ATOM 0 HG3 MET A 37 14.512 -11.506 -10.782 1.00 34.44 H new ATOM 0 HE1 MET A 37 17.729 -9.973 -9.817 1.00 5.35 H new ATOM 0 HE2 MET A 37 16.613 -10.043 -11.201 1.00 5.35 H new ATOM 0 HE3 MET A 37 15.972 -9.893 -9.547 1.00 5.35 H new ATOM 537 N GLN A 38 11.623 -13.571 -11.538 1.00 51.53 N ATOM 538 CA GLN A 38 11.009 -13.393 -12.849 1.00 4.25 C ATOM 539 C GLN A 38 9.743 -12.550 -12.748 1.00 53.41 C ATOM 540 O GLN A 38 9.344 -11.894 -13.710 1.00 11.24 O ATOM 541 CB GLN A 38 10.683 -14.752 -13.470 1.00 43.13 C ATOM 542 CG GLN A 38 11.823 -15.337 -14.288 1.00 31.11 C ATOM 543 CD GLN A 38 13.140 -15.336 -13.536 1.00 44.43 C ATOM 544 OE1 GLN A 38 13.876 -14.349 -13.553 1.00 15.11 O ATOM 545 NE2 GLN A 38 13.444 -16.445 -12.873 1.00 50.54 N ATOM 0 H GLN A 38 11.590 -14.526 -11.182 1.00 51.53 H new ATOM 0 HA GLN A 38 11.721 -12.870 -13.488 1.00 4.25 H new ATOM 0 HB2 GLN A 38 10.421 -15.451 -12.676 1.00 43.13 H new ATOM 0 HB3 GLN A 38 9.805 -14.649 -14.108 1.00 43.13 H new ATOM 0 HG2 GLN A 38 11.573 -16.359 -14.574 1.00 31.11 H new ATOM 0 HG3 GLN A 38 11.935 -14.766 -15.210 1.00 31.11 H new ATOM 0 HE21 GLN A 38 12.804 -17.239 -12.887 1.00 50.54 H new ATOM 0 HE22 GLN A 38 14.318 -16.503 -12.350 1.00 50.54 H new ATOM 554 N GLN A 39 9.114 -12.572 -11.576 1.00 4.21 N ATOM 555 CA GLN A 39 7.892 -11.810 -11.351 1.00 43.31 C ATOM 556 C GLN A 39 8.100 -10.337 -11.685 1.00 42.42 C ATOM 557 O GLN A 39 7.188 -9.664 -12.164 1.00 50.43 O ATOM 558 CB GLN A 39 7.436 -11.956 -9.898 1.00 54.42 C ATOM 559 CG GLN A 39 7.019 -13.371 -9.531 1.00 51.24 C ATOM 560 CD GLN A 39 5.684 -13.761 -10.135 1.00 40.34 C ATOM 561 OE1 GLN A 39 4.638 -13.617 -9.503 1.00 53.33 O ATOM 562 NE2 GLN A 39 5.714 -14.259 -11.366 1.00 73.43 N ATOM 0 H GLN A 39 9.431 -13.109 -10.769 1.00 4.21 H new ATOM 0 HA GLN A 39 7.119 -12.207 -12.009 1.00 43.31 H new ATOM 0 HB2 GLN A 39 8.245 -11.642 -9.239 1.00 54.42 H new ATOM 0 HB3 GLN A 39 6.599 -11.281 -9.719 1.00 54.42 H new ATOM 0 HG2 GLN A 39 7.784 -14.070 -9.868 1.00 51.24 H new ATOM 0 HG3 GLN A 39 6.962 -13.459 -8.446 1.00 51.24 H new ATOM 0 HE21 GLN A 39 6.604 -14.361 -11.853 1.00 73.43 H new ATOM 0 HE22 GLN A 39 4.847 -14.539 -11.824 1.00 73.43 H new ATOM 571 N ALA A 40 9.307 -9.842 -11.429 1.00 51.44 N ATOM 572 CA ALA A 40 9.635 -8.448 -11.705 1.00 63.24 C ATOM 573 C ALA A 40 9.549 -8.148 -13.198 1.00 62.33 C ATOM 574 O ALA A 40 9.332 -7.005 -13.600 1.00 34.40 O ATOM 575 CB ALA A 40 11.023 -8.118 -11.178 1.00 25.22 C ATOM 0 H ALA A 40 10.073 -10.385 -11.031 1.00 51.44 H new ATOM 0 HA ALA A 40 8.905 -7.821 -11.193 1.00 63.24 H new ATOM 0 HB1 ALA A 40 11.254 -7.074 -11.391 1.00 25.22 H new ATOM 0 HB2 ALA A 40 11.052 -8.284 -10.101 1.00 25.22 H new ATOM 0 HB3 ALA A 40 11.759 -8.759 -11.664 1.00 25.22 H new ATOM 581 N MET A 41 9.720 -9.182 -14.015 1.00 41.01 N ATOM 582 CA MET A 41 9.661 -9.029 -15.464 1.00 51.41 C ATOM 583 C MET A 41 8.215 -9.019 -15.951 1.00 31.14 C ATOM 584 O MET A 41 7.838 -8.201 -16.792 1.00 64.44 O ATOM 585 CB MET A 41 10.434 -10.157 -16.150 1.00 14.24 C ATOM 586 CG MET A 41 11.881 -10.263 -15.697 1.00 25.32 C ATOM 587 SD MET A 41 12.806 -11.509 -16.616 1.00 51.42 S ATOM 588 CE MET A 41 13.325 -10.559 -18.044 1.00 52.33 C ATOM 0 H MET A 41 9.901 -10.135 -13.698 1.00 41.01 H new ATOM 0 HA MET A 41 10.120 -8.075 -15.722 1.00 51.41 H new ATOM 0 HB2 MET A 41 9.930 -11.103 -15.954 1.00 14.24 H new ATOM 0 HB3 MET A 41 10.410 -10.000 -17.228 1.00 14.24 H new ATOM 0 HG2 MET A 41 12.367 -9.294 -15.815 1.00 25.32 H new ATOM 0 HG3 MET A 41 11.908 -10.506 -14.635 1.00 25.32 H new ATOM 0 HE1 MET A 41 13.910 -11.193 -18.710 1.00 52.33 H new ATOM 0 HE2 MET A 41 12.447 -10.189 -18.574 1.00 52.33 H new ATOM 0 HE3 MET A 41 13.934 -9.716 -17.718 1.00 52.33 H new ATOM 598 N LEU A 42 7.409 -9.931 -15.418 1.00 1.04 N ATOM 599 CA LEU A 42 6.004 -10.027 -15.798 1.00 0.40 C ATOM 600 C LEU A 42 5.220 -8.818 -15.298 1.00 20.35 C ATOM 601 O LEU A 42 4.201 -8.442 -15.876 1.00 53.15 O ATOM 602 CB LEU A 42 5.391 -11.313 -15.241 1.00 43.20 C ATOM 603 CG LEU A 42 5.762 -12.604 -15.972 1.00 14.15 C ATOM 604 CD1 LEU A 42 7.215 -12.968 -15.709 1.00 0.43 C ATOM 605 CD2 LEU A 42 4.842 -13.739 -15.547 1.00 62.54 C ATOM 0 H LEU A 42 7.705 -10.615 -14.721 1.00 1.04 H new ATOM 0 HA LEU A 42 5.949 -10.047 -16.886 1.00 0.40 H new ATOM 0 HB2 LEU A 42 5.689 -11.412 -14.197 1.00 43.20 H new ATOM 0 HB3 LEU A 42 4.306 -11.210 -15.254 1.00 43.20 H new ATOM 0 HG LEU A 42 5.637 -12.442 -17.043 1.00 14.15 H new ATOM 0 HD11 LEU A 42 7.461 -13.889 -16.237 1.00 0.43 H new ATOM 0 HD12 LEU A 42 7.861 -12.164 -16.062 1.00 0.43 H new ATOM 0 HD13 LEU A 42 7.366 -13.112 -14.639 1.00 0.43 H new ATOM 0 HD21 LEU A 42 5.120 -14.650 -16.077 1.00 62.54 H new ATOM 0 HD22 LEU A 42 4.936 -13.901 -14.473 1.00 62.54 H new ATOM 0 HD23 LEU A 42 3.811 -13.480 -15.786 1.00 62.54 H new ATOM 617 N THR A 43 5.705 -8.209 -14.219 1.00 25.42 N ATOM 618 CA THR A 43 5.052 -7.043 -13.641 1.00 50.43 C ATOM 619 C THR A 43 5.693 -5.751 -14.135 1.00 23.42 C ATOM 620 O THR A 43 5.616 -4.716 -13.475 1.00 60.01 O ATOM 621 CB THR A 43 5.105 -7.073 -12.102 1.00 21.35 C ATOM 622 OG1 THR A 43 4.274 -6.040 -11.562 1.00 20.51 O ATOM 623 CG2 THR A 43 6.533 -6.893 -11.607 1.00 21.43 C ATOM 0 H THR A 43 6.549 -8.506 -13.729 1.00 25.42 H new ATOM 0 HA THR A 43 4.011 -7.074 -13.962 1.00 50.43 H new ATOM 0 HB THR A 43 4.740 -8.044 -11.767 1.00 21.35 H new ATOM 0 HG1 THR A 43 4.445 -5.200 -12.038 1.00 20.51 H new ATOM 0 HG21 THR A 43 6.546 -6.917 -10.517 1.00 21.43 H new ATOM 0 HG22 THR A 43 7.157 -7.698 -11.996 1.00 21.43 H new ATOM 0 HG23 THR A 43 6.920 -5.935 -11.953 1.00 21.43 H new ATOM 631 N ASN A 44 6.328 -5.820 -15.301 1.00 2.12 N ATOM 632 CA ASN A 44 6.984 -4.656 -15.884 1.00 13.43 C ATOM 633 C ASN A 44 5.962 -3.589 -16.263 1.00 55.45 C ATOM 634 O ASN A 44 5.289 -3.693 -17.288 1.00 44.42 O ATOM 635 CB ASN A 44 7.793 -5.063 -17.117 1.00 61.21 C ATOM 636 CG ASN A 44 8.570 -3.903 -17.708 1.00 21.31 C ATOM 637 OD1 ASN A 44 8.395 -3.555 -18.876 1.00 61.33 O ATOM 638 ND2 ASN A 44 9.434 -3.298 -16.902 1.00 1.14 N ATOM 0 H ASN A 44 6.402 -6.670 -15.860 1.00 2.12 H new ATOM 0 HA ASN A 44 7.659 -4.239 -15.137 1.00 13.43 H new ATOM 0 HB2 ASN A 44 8.485 -5.860 -16.847 1.00 61.21 H new ATOM 0 HB3 ASN A 44 7.120 -5.468 -17.872 1.00 61.21 H new ATOM 0 HD21 ASN A 44 9.985 -2.511 -17.244 1.00 1.14 H new ATOM 0 HD22 ASN A 44 9.546 -3.620 -15.941 1.00 1.14 H new ATOM 718 N VAL A 49 0.106 2.728 -18.652 1.00 35.40 N ATOM 719 CA VAL A 49 -0.392 2.393 -17.323 1.00 12.41 C ATOM 720 C VAL A 49 -0.327 3.599 -16.392 1.00 31.50 C ATOM 721 O VAL A 49 -1.214 3.805 -15.562 1.00 62.22 O ATOM 722 CB VAL A 49 0.408 1.234 -16.700 1.00 74.33 C ATOM 723 CG1 VAL A 49 0.184 1.178 -15.197 1.00 72.45 C ATOM 724 CG2 VAL A 49 0.028 -0.086 -17.353 1.00 71.15 C ATOM 0 HA VAL A 49 -1.431 2.085 -17.442 1.00 12.41 H new ATOM 0 HB VAL A 49 1.469 1.410 -16.879 1.00 74.33 H new ATOM 0 HG11 VAL A 49 0.757 0.353 -14.774 1.00 72.45 H new ATOM 0 HG12 VAL A 49 0.510 2.115 -14.745 1.00 72.45 H new ATOM 0 HG13 VAL A 49 -0.876 1.026 -14.993 1.00 72.45 H new ATOM 0 HG21 VAL A 49 0.603 -0.894 -16.901 1.00 71.15 H new ATOM 0 HG22 VAL A 49 -1.036 -0.271 -17.207 1.00 71.15 H new ATOM 0 HG23 VAL A 49 0.245 -0.040 -18.420 1.00 71.15 H new ATOM 734 N LEU A 50 0.727 4.394 -16.536 1.00 32.33 N ATOM 735 CA LEU A 50 0.908 5.581 -15.708 1.00 34.44 C ATOM 736 C LEU A 50 -0.270 6.537 -15.861 1.00 3.41 C ATOM 737 O LEU A 50 -0.661 7.217 -14.911 1.00 62.51 O ATOM 738 CB LEU A 50 2.210 6.293 -16.080 1.00 15.32 C ATOM 739 CG LEU A 50 3.469 5.425 -16.096 1.00 64.12 C ATOM 740 CD1 LEU A 50 4.699 6.273 -16.380 1.00 54.33 C ATOM 741 CD2 LEU A 50 3.623 4.684 -14.776 1.00 22.21 C ATOM 0 H LEU A 50 1.469 4.238 -17.218 1.00 32.33 H new ATOM 0 HA LEU A 50 0.960 5.263 -14.667 1.00 34.44 H new ATOM 0 HB2 LEU A 50 2.088 6.739 -17.067 1.00 15.32 H new ATOM 0 HB3 LEU A 50 2.366 7.112 -15.378 1.00 15.32 H new ATOM 0 HG LEU A 50 3.369 4.689 -16.893 1.00 64.12 H new ATOM 0 HD11 LEU A 50 5.585 5.638 -16.387 1.00 54.33 H new ATOM 0 HD12 LEU A 50 4.591 6.757 -17.351 1.00 54.33 H new ATOM 0 HD13 LEU A 50 4.804 7.033 -15.606 1.00 54.33 H new ATOM 0 HD21 LEU A 50 4.524 4.071 -14.806 1.00 22.21 H new ATOM 0 HD22 LEU A 50 3.700 5.404 -13.961 1.00 22.21 H new ATOM 0 HD23 LEU A 50 2.755 4.045 -14.614 1.00 22.21 H new ATOM 753 N LYS A 51 -0.833 6.585 -17.064 1.00 33.54 N ATOM 754 CA LYS A 51 -1.969 7.455 -17.343 1.00 51.14 C ATOM 755 C LYS A 51 -3.069 7.264 -16.304 1.00 51.10 C ATOM 756 O LYS A 51 -3.762 8.213 -15.937 1.00 25.31 O ATOM 757 CB LYS A 51 -2.520 7.175 -18.743 1.00 71.21 C ATOM 758 CG LYS A 51 -1.575 7.580 -19.861 1.00 64.42 C ATOM 759 CD LYS A 51 -1.714 9.053 -20.203 1.00 42.31 C ATOM 760 CE LYS A 51 -0.831 9.437 -21.380 1.00 52.55 C ATOM 761 NZ LYS A 51 -0.656 10.913 -21.485 1.00 21.41 N ATOM 0 H LYS A 51 -0.521 6.031 -17.861 1.00 33.54 H new ATOM 0 HA LYS A 51 -1.624 8.488 -17.295 1.00 51.14 H new ATOM 0 HB2 LYS A 51 -2.740 6.111 -18.832 1.00 71.21 H new ATOM 0 HB3 LYS A 51 -3.464 7.706 -18.866 1.00 71.21 H new ATOM 0 HG2 LYS A 51 -0.548 7.370 -19.564 1.00 64.42 H new ATOM 0 HG3 LYS A 51 -1.780 6.979 -20.747 1.00 64.42 H new ATOM 0 HD2 LYS A 51 -2.754 9.276 -20.439 1.00 42.31 H new ATOM 0 HD3 LYS A 51 -1.448 9.656 -19.335 1.00 42.31 H new ATOM 0 HE2 LYS A 51 0.144 8.963 -21.272 1.00 52.55 H new ATOM 0 HE3 LYS A 51 -1.270 9.057 -22.302 1.00 52.55 H new ATOM 0 HZ1 LYS A 51 -0.048 11.133 -22.299 1.00 21.41 H new ATOM 0 HZ2 LYS A 51 -1.584 11.364 -21.614 1.00 21.41 H new ATOM 0 HZ3 LYS A 51 -0.214 11.273 -20.615 1.00 21.41 H new ATOM 775 N ALA A 52 -3.224 6.031 -15.833 1.00 63.41 N ATOM 776 CA ALA A 52 -4.237 5.717 -14.834 1.00 20.23 C ATOM 777 C ALA A 52 -3.853 6.275 -13.468 1.00 54.22 C ATOM 778 O ALA A 52 -4.708 6.741 -12.713 1.00 33.22 O ATOM 779 CB ALA A 52 -4.448 4.212 -14.750 1.00 21.32 C ATOM 0 H ALA A 52 -2.661 5.233 -16.128 1.00 63.41 H new ATOM 0 HA ALA A 52 -5.171 6.188 -15.141 1.00 20.23 H new ATOM 0 HB1 ALA A 52 -5.207 3.992 -14.000 1.00 21.32 H new ATOM 0 HB2 ALA A 52 -4.776 3.836 -15.719 1.00 21.32 H new ATOM 0 HB3 ALA A 52 -3.512 3.728 -14.471 1.00 21.32 H new ATOM 785 N LEU A 53 -2.563 6.225 -13.155 1.00 13.33 N ATOM 786 CA LEU A 53 -2.065 6.727 -11.878 1.00 75.11 C ATOM 787 C LEU A 53 -2.346 8.219 -11.732 1.00 0.24 C ATOM 788 O LEU A 53 -2.373 8.749 -10.622 1.00 2.42 O ATOM 789 CB LEU A 53 -0.564 6.463 -11.755 1.00 3.03 C ATOM 790 CG LEU A 53 -0.105 5.038 -12.061 1.00 44.02 C ATOM 791 CD1 LEU A 53 1.402 4.915 -11.900 1.00 2.24 C ATOM 792 CD2 LEU A 53 -0.822 4.041 -11.162 1.00 14.43 C ATOM 0 H LEU A 53 -1.843 5.842 -13.767 1.00 13.33 H new ATOM 0 HA LEU A 53 -2.587 6.199 -11.079 1.00 75.11 H new ATOM 0 HB2 LEU A 53 -0.040 7.144 -12.426 1.00 3.03 H new ATOM 0 HB3 LEU A 53 -0.254 6.713 -10.740 1.00 3.03 H new ATOM 0 HG LEU A 53 -0.359 4.811 -13.097 1.00 44.02 H new ATOM 0 HD11 LEU A 53 1.709 3.893 -12.122 1.00 2.24 H new ATOM 0 HD12 LEU A 53 1.898 5.601 -12.587 1.00 2.24 H new ATOM 0 HD13 LEU A 53 1.680 5.163 -10.876 1.00 2.24 H new ATOM 0 HD21 LEU A 53 -0.482 3.032 -11.394 1.00 14.43 H new ATOM 0 HD22 LEU A 53 -0.601 4.267 -10.119 1.00 14.43 H new ATOM 0 HD23 LEU A 53 -1.897 4.109 -11.328 1.00 14.43 H new ATOM 804 N GLU A 54 -2.555 8.889 -12.861 1.00 54.42 N ATOM 805 CA GLU A 54 -2.835 10.321 -12.858 1.00 3.14 C ATOM 806 C GLU A 54 -4.185 10.610 -12.207 1.00 2.02 C ATOM 807 O GLU A 54 -4.330 11.577 -11.460 1.00 14.33 O ATOM 808 CB GLU A 54 -2.817 10.869 -14.286 1.00 1.24 C ATOM 809 CG GLU A 54 -1.476 10.710 -14.982 1.00 22.13 C ATOM 810 CD GLU A 54 -0.515 11.839 -14.666 1.00 53.33 C ATOM 811 OE1 GLU A 54 -0.423 12.225 -13.481 1.00 63.13 O ATOM 812 OE2 GLU A 54 0.143 12.339 -15.601 1.00 4.00 O ATOM 0 H GLU A 54 -2.536 8.464 -13.788 1.00 54.42 H new ATOM 0 HA GLU A 54 -2.057 10.816 -12.277 1.00 3.14 H new ATOM 0 HB2 GLU A 54 -3.583 10.360 -14.871 1.00 1.24 H new ATOM 0 HB3 GLU A 54 -3.082 11.926 -14.264 1.00 1.24 H new ATOM 0 HG2 GLU A 54 -1.027 9.762 -14.685 1.00 22.13 H new ATOM 0 HG3 GLU A 54 -1.634 10.664 -16.060 1.00 22.13 H new ATOM 820 N ARG A 55 -5.167 9.764 -12.497 1.00 73.13 N ATOM 821 CA ARG A 55 -6.506 9.930 -11.943 1.00 34.34 C ATOM 822 C ARG A 55 -6.559 9.445 -10.497 1.00 21.23 C ATOM 823 O ARG A 55 -7.299 9.987 -9.675 1.00 10.33 O ATOM 824 CB ARG A 55 -7.529 9.166 -12.786 1.00 21.25 C ATOM 825 CG ARG A 55 -8.879 9.006 -12.107 1.00 62.54 C ATOM 826 CD ARG A 55 -9.501 10.354 -11.777 1.00 65.20 C ATOM 827 NE ARG A 55 -10.940 10.367 -12.023 1.00 44.44 N ATOM 828 CZ ARG A 55 -11.723 11.406 -11.751 1.00 25.45 C ATOM 829 NH1 ARG A 55 -11.206 12.509 -11.225 1.00 62.04 N ATOM 830 NH2 ARG A 55 -13.023 11.343 -12.003 1.00 62.35 N ATOM 0 H ARG A 55 -5.062 8.957 -13.112 1.00 73.13 H new ATOM 0 HA ARG A 55 -6.751 10.992 -11.962 1.00 34.34 H new ATOM 0 HB2 ARG A 55 -7.668 9.686 -13.734 1.00 21.25 H new ATOM 0 HB3 ARG A 55 -7.130 8.179 -13.020 1.00 21.25 H new ATOM 0 HG2 ARG A 55 -9.550 8.444 -12.757 1.00 62.54 H new ATOM 0 HG3 ARG A 55 -8.761 8.425 -11.192 1.00 62.54 H new ATOM 0 HD2 ARG A 55 -9.310 10.595 -10.731 1.00 65.20 H new ATOM 0 HD3 ARG A 55 -9.024 11.130 -12.376 1.00 65.20 H new ATOM 0 HE ARG A 55 -11.368 9.533 -12.426 1.00 44.44 H new ATOM 0 HH11 ARG A 55 -10.206 12.560 -11.029 1.00 62.04 H new ATOM 0 HH12 ARG A 55 -11.808 13.306 -11.017 1.00 62.04 H new ATOM 0 HH21 ARG A 55 -13.424 10.496 -12.406 1.00 62.35 H new ATOM 0 HH22 ARG A 55 -13.622 12.141 -11.794 1.00 62.35 H new ATOM 844 N THR A 56 -5.768 8.420 -10.192 1.00 12.10 N ATOM 845 CA THR A 56 -5.726 7.861 -8.846 1.00 63.11 C ATOM 846 C THR A 56 -4.961 8.774 -7.895 1.00 50.52 C ATOM 847 O THR A 56 -5.390 9.010 -6.767 1.00 34.11 O ATOM 848 CB THR A 56 -5.073 6.466 -8.838 1.00 43.44 C ATOM 849 OG1 THR A 56 -3.648 6.592 -8.909 1.00 53.12 O ATOM 850 CG2 THR A 56 -5.571 5.628 -10.006 1.00 74.31 C ATOM 0 H THR A 56 -5.148 7.960 -10.859 1.00 12.10 H new ATOM 0 HA THR A 56 -6.758 7.773 -8.508 1.00 63.11 H new ATOM 0 HB THR A 56 -5.348 5.966 -7.909 1.00 43.44 H new ATOM 0 HG1 THR A 56 -3.242 6.156 -8.131 1.00 53.12 H new ATOM 0 HG21 THR A 56 -5.096 4.647 -9.979 1.00 74.31 H new ATOM 0 HG22 THR A 56 -6.652 5.509 -9.934 1.00 74.31 H new ATOM 0 HG23 THR A 56 -5.322 6.126 -10.943 1.00 74.31 H new ATOM 858 N ARG A 57 -3.825 9.286 -8.360 1.00 73.15 N ATOM 859 CA ARG A 57 -3.000 10.173 -7.550 1.00 11.24 C ATOM 860 C ARG A 57 -3.817 11.353 -7.031 1.00 1.41 C ATOM 861 O ARG A 57 -3.494 11.936 -5.996 1.00 41.34 O ATOM 862 CB ARG A 57 -1.809 10.682 -8.364 1.00 70.54 C ATOM 863 CG ARG A 57 -2.203 11.597 -9.512 1.00 13.12 C ATOM 864 CD ARG A 57 -1.056 12.511 -9.914 1.00 44.20 C ATOM 865 NE ARG A 57 0.191 11.774 -10.100 1.00 24.43 N ATOM 866 CZ ARG A 57 1.384 12.354 -10.177 1.00 41.11 C ATOM 867 NH1 ARG A 57 1.490 13.672 -10.084 1.00 0.02 N ATOM 868 NH2 ARG A 57 2.473 11.615 -10.347 1.00 33.00 N ATOM 0 H ARG A 57 -3.456 9.101 -9.293 1.00 73.15 H new ATOM 0 HA ARG A 57 -2.631 9.605 -6.696 1.00 11.24 H new ATOM 0 HB2 ARG A 57 -1.129 11.217 -7.701 1.00 70.54 H new ATOM 0 HB3 ARG A 57 -1.261 9.828 -8.762 1.00 70.54 H new ATOM 0 HG2 ARG A 57 -2.509 10.997 -10.369 1.00 13.12 H new ATOM 0 HG3 ARG A 57 -3.064 12.198 -9.220 1.00 13.12 H new ATOM 0 HD2 ARG A 57 -1.312 13.029 -10.838 1.00 44.20 H new ATOM 0 HD3 ARG A 57 -0.915 13.274 -9.149 1.00 44.20 H new ATOM 0 HE ARG A 57 0.144 10.758 -10.175 1.00 24.43 H new ATOM 0 HH11 ARG A 57 0.655 14.243 -9.953 1.00 0.02 H new ATOM 0 HH12 ARG A 57 2.407 14.115 -10.143 1.00 0.02 H new ATOM 0 HH21 ARG A 57 2.395 10.601 -10.419 1.00 33.00 H new ATOM 0 HH22 ARG A 57 3.388 12.061 -10.406 1.00 33.00 H new ATOM 882 N GLN A 58 -4.874 11.698 -7.758 1.00 52.45 N ATOM 883 CA GLN A 58 -5.736 12.810 -7.372 1.00 31.40 C ATOM 884 C GLN A 58 -6.436 12.521 -6.048 1.00 53.42 C ATOM 885 O GLN A 58 -6.617 13.415 -5.221 1.00 11.44 O ATOM 886 CB GLN A 58 -6.773 13.081 -8.463 1.00 31.10 C ATOM 887 CG GLN A 58 -6.183 13.687 -9.726 1.00 53.34 C ATOM 888 CD GLN A 58 -5.749 15.127 -9.535 1.00 62.11 C ATOM 889 OE1 GLN A 58 -4.548 15.317 -9.000 1.00 64.25 O flip ATOM 890 NE2 GLN A 58 -6.484 16.058 -9.864 1.00 60.34 N flip ATOM 0 H GLN A 58 -5.155 11.225 -8.617 1.00 52.45 H new ATOM 0 HA GLN A 58 -5.112 13.695 -7.246 1.00 31.40 H new ATOM 0 HB2 GLN A 58 -7.273 12.146 -8.718 1.00 31.10 H new ATOM 0 HB3 GLN A 58 -7.535 13.753 -8.069 1.00 31.10 H new ATOM 0 HG2 GLN A 58 -5.326 13.093 -10.044 1.00 53.34 H new ATOM 0 HG3 GLN A 58 -6.920 13.637 -10.527 1.00 53.34 H new ATOM 0 HE21 GLN A 58 -7.399 15.866 -10.272 1.00 60.34 H new ATOM 0 HE22 GLN A 58 -6.178 17.022 -9.729 1.00 60.34 H new ATOM 899 N LEU A 59 -6.828 11.267 -5.853 1.00 40.31 N ATOM 900 CA LEU A 59 -7.509 10.860 -4.629 1.00 74.14 C ATOM 901 C LEU A 59 -6.524 10.258 -3.633 1.00 35.41 C ATOM 902 O LEU A 59 -6.923 9.612 -2.662 1.00 52.44 O ATOM 903 CB LEU A 59 -8.612 9.848 -4.949 1.00 34.32 C ATOM 904 CG LEU A 59 -9.507 10.184 -6.141 1.00 21.04 C ATOM 905 CD1 LEU A 59 -9.501 9.046 -7.150 1.00 5.54 C ATOM 906 CD2 LEU A 59 -10.925 10.480 -5.677 1.00 53.14 C ATOM 0 H LEU A 59 -6.686 10.514 -6.527 1.00 40.31 H new ATOM 0 HA LEU A 59 -7.956 11.746 -4.179 1.00 74.14 H new ATOM 0 HB2 LEU A 59 -8.147 8.879 -5.132 1.00 34.32 H new ATOM 0 HB3 LEU A 59 -9.243 9.737 -4.067 1.00 34.32 H new ATOM 0 HG LEU A 59 -9.112 11.076 -6.627 1.00 21.04 H new ATOM 0 HD11 LEU A 59 -10.144 9.303 -7.992 1.00 5.54 H new ATOM 0 HD12 LEU A 59 -8.484 8.881 -7.507 1.00 5.54 H new ATOM 0 HD13 LEU A 59 -9.871 8.137 -6.675 1.00 5.54 H new ATOM 0 HD21 LEU A 59 -11.548 10.717 -6.539 1.00 53.14 H new ATOM 0 HD22 LEU A 59 -11.330 9.607 -5.166 1.00 53.14 H new ATOM 0 HD23 LEU A 59 -10.914 11.328 -4.993 1.00 53.14 H new ATOM 918 N ASP A 60 -5.237 10.477 -3.875 1.00 42.10 N ATOM 919 CA ASP A 60 -4.194 9.959 -2.997 1.00 72.32 C ATOM 920 C ASP A 60 -4.166 8.434 -3.026 1.00 53.51 C ATOM 921 O ASP A 60 -4.628 7.778 -2.093 1.00 30.33 O ATOM 922 CB ASP A 60 -4.414 10.451 -1.565 1.00 25.51 C ATOM 923 CG ASP A 60 -3.168 10.318 -0.711 1.00 34.14 C ATOM 924 OD1 ASP A 60 -2.107 10.831 -1.124 1.00 50.50 O ATOM 925 OD2 ASP A 60 -3.254 9.703 0.372 1.00 70.34 O ATOM 0 H ASP A 60 -4.890 11.010 -4.672 1.00 42.10 H new ATOM 0 HA ASP A 60 -3.234 10.328 -3.357 1.00 72.32 H new ATOM 0 HB2 ASP A 60 -4.727 11.495 -1.586 1.00 25.51 H new ATOM 0 HB3 ASP A 60 -5.226 9.884 -1.109 1.00 25.51 H new ATOM 931 N ILE A 61 -3.624 7.878 -4.104 1.00 21.31 N ATOM 932 CA ILE A 61 -3.536 6.431 -4.254 1.00 63.31 C ATOM 933 C ILE A 61 -2.159 6.012 -4.757 1.00 15.13 C ATOM 934 O ILE A 61 -1.728 6.386 -5.848 1.00 54.21 O ATOM 935 CB ILE A 61 -4.608 5.900 -5.225 1.00 3.44 C ATOM 936 CG1 ILE A 61 -5.962 6.545 -4.927 1.00 53.33 C ATOM 937 CG2 ILE A 61 -4.704 4.385 -5.130 1.00 61.12 C ATOM 938 CD1 ILE A 61 -7.046 6.157 -5.908 1.00 45.31 C ATOM 0 H ILE A 61 -3.239 8.408 -4.886 1.00 21.31 H new ATOM 0 HA ILE A 61 -3.705 6.001 -3.267 1.00 63.31 H new ATOM 0 HB ILE A 61 -4.318 6.163 -6.242 1.00 3.44 H new ATOM 0 HG12 ILE A 61 -6.276 6.264 -3.922 1.00 53.33 H new ATOM 0 HG13 ILE A 61 -5.848 7.629 -4.934 1.00 53.33 H new ATOM 0 HG21 ILE A 61 -5.465 4.025 -5.822 1.00 61.12 H new ATOM 0 HG22 ILE A 61 -3.742 3.943 -5.387 1.00 61.12 H new ATOM 0 HG23 ILE A 61 -4.974 4.101 -4.113 1.00 61.12 H new ATOM 0 HD11 ILE A 61 -7.978 6.652 -5.635 1.00 45.31 H new ATOM 0 HD12 ILE A 61 -6.754 6.463 -6.913 1.00 45.31 H new ATOM 0 HD13 ILE A 61 -7.188 5.077 -5.885 1.00 45.31 H new ATOM 950 N PRO A 62 -1.449 5.217 -3.944 1.00 61.53 N ATOM 951 CA PRO A 62 -0.110 4.727 -4.286 1.00 62.22 C ATOM 952 C PRO A 62 -0.137 3.709 -5.421 1.00 73.01 C ATOM 953 O PRO A 62 -0.968 2.801 -5.433 1.00 73.04 O ATOM 954 CB PRO A 62 0.369 4.070 -2.989 1.00 64.33 C ATOM 955 CG PRO A 62 -0.880 3.683 -2.276 1.00 41.22 C ATOM 956 CD PRO A 62 -1.899 4.731 -2.629 1.00 62.31 C ATOM 0 HA PRO A 62 0.539 5.528 -4.639 1.00 62.22 H new ATOM 0 HB2 PRO A 62 0.994 3.200 -3.193 1.00 64.33 H new ATOM 0 HB3 PRO A 62 0.967 4.760 -2.393 1.00 64.33 H new ATOM 0 HG2 PRO A 62 -1.215 2.693 -2.585 1.00 41.22 H new ATOM 0 HG3 PRO A 62 -0.718 3.643 -1.199 1.00 41.22 H new ATOM 0 HD2 PRO A 62 -2.905 4.313 -2.678 1.00 62.31 H new ATOM 0 HD3 PRO A 62 -1.923 5.533 -1.891 1.00 62.31 H new ATOM 964 N ASP A 63 0.776 3.867 -6.372 1.00 23.34 N ATOM 965 CA ASP A 63 0.859 2.960 -7.511 1.00 72.34 C ATOM 966 C ASP A 63 1.057 1.520 -7.046 1.00 42.10 C ATOM 967 O ASP A 63 0.792 0.576 -7.790 1.00 61.10 O ATOM 968 CB ASP A 63 2.003 3.372 -8.437 1.00 4.02 C ATOM 969 CG ASP A 63 3.226 3.842 -7.673 1.00 25.40 C ATOM 970 OD1 ASP A 63 3.474 5.065 -7.643 1.00 72.12 O ATOM 971 OD2 ASP A 63 3.935 2.984 -7.105 1.00 10.52 O ATOM 0 H ASP A 63 1.470 4.615 -6.377 1.00 23.34 H new ATOM 0 HA ASP A 63 -0.081 3.020 -8.060 1.00 72.34 H new ATOM 0 HB2 ASP A 63 2.276 2.528 -9.070 1.00 4.02 H new ATOM 0 HB3 ASP A 63 1.663 4.169 -9.098 1.00 4.02 H new ATOM 977 N GLU A 64 1.526 1.361 -5.812 1.00 40.42 N ATOM 978 CA GLU A 64 1.762 0.036 -5.250 1.00 54.55 C ATOM 979 C GLU A 64 0.464 -0.766 -5.188 1.00 24.24 C ATOM 980 O GLU A 64 0.479 -1.996 -5.251 1.00 70.13 O ATOM 981 CB GLU A 64 2.370 0.153 -3.851 1.00 24.10 C ATOM 982 CG GLU A 64 3.514 1.149 -3.767 1.00 20.52 C ATOM 983 CD GLU A 64 4.239 1.092 -2.435 1.00 42.32 C ATOM 984 OE1 GLU A 64 4.876 2.101 -2.065 1.00 72.45 O ATOM 985 OE2 GLU A 64 4.169 0.041 -1.765 1.00 71.10 O ATOM 0 H GLU A 64 1.750 2.132 -5.183 1.00 40.42 H new ATOM 0 HA GLU A 64 2.463 -0.488 -5.900 1.00 54.55 H new ATOM 0 HB2 GLU A 64 1.590 0.448 -3.149 1.00 24.10 H new ATOM 0 HB3 GLU A 64 2.729 -0.827 -3.537 1.00 24.10 H new ATOM 0 HG2 GLU A 64 4.223 0.952 -4.571 1.00 20.52 H new ATOM 0 HG3 GLU A 64 3.127 2.156 -3.923 1.00 20.52 H new ATOM 993 N LYS A 65 -0.655 -0.062 -5.063 1.00 72.51 N ATOM 994 CA LYS A 65 -1.961 -0.707 -4.992 1.00 74.12 C ATOM 995 C LYS A 65 -2.762 -0.453 -6.265 1.00 12.30 C ATOM 996 O LYS A 65 -3.634 -1.242 -6.630 1.00 23.50 O ATOM 997 CB LYS A 65 -2.739 -0.196 -3.777 1.00 31.00 C ATOM 998 CG LYS A 65 -3.483 1.104 -4.033 1.00 64.44 C ATOM 999 CD LYS A 65 -3.915 1.763 -2.734 1.00 63.10 C ATOM 1000 CE LYS A 65 -4.975 0.941 -2.016 1.00 0.44 C ATOM 1001 NZ LYS A 65 -5.016 1.240 -0.558 1.00 12.52 N ATOM 0 H LYS A 65 -0.684 0.956 -5.009 1.00 72.51 H new ATOM 0 HA LYS A 65 -1.804 -1.781 -4.890 1.00 74.12 H new ATOM 0 HB2 LYS A 65 -3.453 -0.959 -3.467 1.00 31.00 H new ATOM 0 HB3 LYS A 65 -2.047 -0.051 -2.948 1.00 31.00 H new ATOM 0 HG2 LYS A 65 -2.844 1.786 -4.593 1.00 64.44 H new ATOM 0 HG3 LYS A 65 -4.359 0.908 -4.651 1.00 64.44 H new ATOM 0 HD2 LYS A 65 -3.049 1.890 -2.084 1.00 63.10 H new ATOM 0 HD3 LYS A 65 -4.305 2.759 -2.943 1.00 63.10 H new ATOM 0 HE2 LYS A 65 -5.951 1.144 -2.456 1.00 0.44 H new ATOM 0 HE3 LYS A 65 -4.773 -0.120 -2.164 1.00 0.44 H new ATOM 0 HZ1 LYS A 65 -5.242 0.372 -0.032 1.00 12.52 H new ATOM 0 HZ2 LYS A 65 -4.090 1.600 -0.251 1.00 12.52 H new ATOM 0 HZ3 LYS A 65 -5.745 1.957 -0.371 1.00 12.52 H new ATOM 1015 N THR A 66 -2.461 0.653 -6.938 1.00 65.13 N ATOM 1016 CA THR A 66 -3.153 1.009 -8.171 1.00 51.21 C ATOM 1017 C THR A 66 -2.660 0.167 -9.342 1.00 33.21 C ATOM 1018 O THR A 66 -3.429 -0.174 -10.240 1.00 43.01 O ATOM 1019 CB THR A 66 -2.963 2.500 -8.509 1.00 40.42 C ATOM 1020 OG1 THR A 66 -3.189 3.300 -7.344 1.00 33.32 O ATOM 1021 CG2 THR A 66 -3.915 2.928 -9.617 1.00 14.42 C ATOM 0 H THR A 66 -1.743 1.318 -6.650 1.00 65.13 H new ATOM 0 HA THR A 66 -4.213 0.812 -8.008 1.00 51.21 H new ATOM 0 HB THR A 66 -1.939 2.644 -8.854 1.00 40.42 H new ATOM 0 HG1 THR A 66 -2.467 3.149 -6.698 1.00 33.32 H new ATOM 0 HG21 THR A 66 -3.763 3.984 -9.839 1.00 14.42 H new ATOM 0 HG22 THR A 66 -3.721 2.337 -10.512 1.00 14.42 H new ATOM 0 HG23 THR A 66 -4.944 2.769 -9.294 1.00 14.42 H new ATOM 1029 N MET A 67 -1.373 -0.165 -9.325 1.00 65.44 N ATOM 1030 CA MET A 67 -0.778 -0.970 -10.386 1.00 62.55 C ATOM 1031 C MET A 67 -1.620 -2.213 -10.662 1.00 20.35 C ATOM 1032 O MET A 67 -2.070 -2.449 -11.783 1.00 22.20 O ATOM 1033 CB MET A 67 0.646 -1.379 -10.008 1.00 34.14 C ATOM 1034 CG MET A 67 1.705 -0.392 -10.472 1.00 13.43 C ATOM 1035 SD MET A 67 1.631 -0.077 -12.246 1.00 62.04 S ATOM 1036 CE MET A 67 1.084 -1.672 -12.850 1.00 54.04 C ATOM 0 H MET A 67 -0.723 0.111 -8.589 1.00 65.44 H new ATOM 0 HA MET A 67 -0.746 -0.365 -11.292 1.00 62.55 H new ATOM 0 HB2 MET A 67 0.709 -1.485 -8.925 1.00 34.14 H new ATOM 0 HB3 MET A 67 0.860 -2.358 -10.437 1.00 34.14 H new ATOM 0 HG2 MET A 67 1.580 0.548 -9.934 1.00 13.43 H new ATOM 0 HG3 MET A 67 2.692 -0.777 -10.216 1.00 13.43 H new ATOM 0 HE1 MET A 67 1.448 -1.820 -13.867 1.00 54.04 H new ATOM 0 HE2 MET A 67 1.476 -2.459 -12.206 1.00 54.04 H new ATOM 0 HE3 MET A 67 -0.005 -1.709 -12.845 1.00 54.04 H new ATOM 1046 N PRO A 68 -1.836 -3.026 -9.618 1.00 51.21 N ATOM 1047 CA PRO A 68 -2.624 -4.257 -9.724 1.00 54.23 C ATOM 1048 C PRO A 68 -4.108 -3.979 -9.941 1.00 21.11 C ATOM 1049 O PRO A 68 -4.866 -4.867 -10.332 1.00 61.24 O ATOM 1050 CB PRO A 68 -2.401 -4.939 -8.371 1.00 52.21 C ATOM 1051 CG PRO A 68 -2.071 -3.827 -7.436 1.00 52.24 C ATOM 1052 CD PRO A 68 -1.330 -2.805 -8.253 1.00 73.40 C ATOM 0 HA PRO A 68 -2.320 -4.863 -10.578 1.00 54.23 H new ATOM 0 HB2 PRO A 68 -3.292 -5.477 -8.047 1.00 52.21 H new ATOM 0 HB3 PRO A 68 -1.591 -5.666 -8.423 1.00 52.21 H new ATOM 0 HG2 PRO A 68 -2.976 -3.399 -7.003 1.00 52.24 H new ATOM 0 HG3 PRO A 68 -1.459 -4.183 -6.607 1.00 52.24 H new ATOM 0 HD2 PRO A 68 -1.533 -1.791 -7.908 1.00 73.40 H new ATOM 0 HD3 PRO A 68 -0.251 -2.951 -8.196 1.00 73.40 H new ATOM 1060 N VAL A 69 -4.517 -2.741 -9.685 1.00 32.02 N ATOM 1061 CA VAL A 69 -5.910 -2.345 -9.853 1.00 51.44 C ATOM 1062 C VAL A 69 -6.218 -2.027 -11.313 1.00 30.42 C ATOM 1063 O VAL A 69 -7.127 -2.609 -11.907 1.00 1.54 O ATOM 1064 CB VAL A 69 -6.254 -1.118 -8.989 1.00 35.03 C ATOM 1065 CG1 VAL A 69 -7.563 -0.492 -9.446 1.00 61.22 C ATOM 1066 CG2 VAL A 69 -6.324 -1.505 -7.520 1.00 34.24 C ATOM 0 H VAL A 69 -3.903 -1.994 -9.360 1.00 32.02 H new ATOM 0 HA VAL A 69 -6.520 -3.189 -9.530 1.00 51.44 H new ATOM 0 HB VAL A 69 -5.463 -0.377 -9.110 1.00 35.03 H new ATOM 0 HG11 VAL A 69 -7.789 0.374 -8.823 1.00 61.22 H new ATOM 0 HG12 VAL A 69 -7.472 -0.177 -10.486 1.00 61.22 H new ATOM 0 HG13 VAL A 69 -8.367 -1.223 -9.357 1.00 61.22 H new ATOM 0 HG21 VAL A 69 -6.568 -0.626 -6.923 1.00 34.24 H new ATOM 0 HG22 VAL A 69 -7.094 -2.264 -7.380 1.00 34.24 H new ATOM 0 HG23 VAL A 69 -5.360 -1.903 -7.202 1.00 34.24 H new ATOM 1076 N LEU A 70 -5.456 -1.102 -11.884 1.00 31.14 N ATOM 1077 CA LEU A 70 -5.646 -0.707 -13.275 1.00 11.35 C ATOM 1078 C LEU A 70 -5.431 -1.891 -14.212 1.00 11.51 C ATOM 1079 O LEU A 70 -6.209 -2.108 -15.141 1.00 64.01 O ATOM 1080 CB LEU A 70 -4.686 0.428 -13.640 1.00 75.40 C ATOM 1081 CG LEU A 70 -3.195 0.109 -13.523 1.00 3.42 C ATOM 1082 CD1 LEU A 70 -2.634 -0.320 -14.870 1.00 23.40 C ATOM 1083 CD2 LEU A 70 -2.433 1.310 -12.984 1.00 11.40 C ATOM 0 H LEU A 70 -4.701 -0.611 -11.406 1.00 31.14 H new ATOM 0 HA LEU A 70 -6.672 -0.358 -13.390 1.00 11.35 H new ATOM 0 HB2 LEU A 70 -4.892 0.736 -14.665 1.00 75.40 H new ATOM 0 HB3 LEU A 70 -4.906 1.283 -13.000 1.00 75.40 H new ATOM 0 HG LEU A 70 -3.074 -0.717 -12.822 1.00 3.42 H new ATOM 0 HD11 LEU A 70 -1.572 -0.543 -14.768 1.00 23.40 H new ATOM 0 HD12 LEU A 70 -3.160 -1.210 -15.216 1.00 23.40 H new ATOM 0 HD13 LEU A 70 -2.768 0.485 -15.593 1.00 23.40 H new ATOM 0 HD21 LEU A 70 -1.374 1.064 -12.908 1.00 11.40 H new ATOM 0 HD22 LEU A 70 -2.562 2.156 -13.660 1.00 11.40 H new ATOM 0 HD23 LEU A 70 -2.817 1.572 -11.998 1.00 11.40 H new ATOM 1095 N MET A 71 -4.371 -2.652 -13.961 1.00 64.33 N ATOM 1096 CA MET A 71 -4.057 -3.817 -14.781 1.00 10.34 C ATOM 1097 C MET A 71 -5.194 -4.833 -14.742 1.00 22.41 C ATOM 1098 O MET A 71 -5.342 -5.649 -15.651 1.00 21.31 O ATOM 1099 CB MET A 71 -2.757 -4.468 -14.302 1.00 74.34 C ATOM 1100 CG MET A 71 -2.926 -5.307 -13.045 1.00 13.41 C ATOM 1101 SD MET A 71 -3.184 -7.054 -13.406 1.00 72.33 S ATOM 1102 CE MET A 71 -1.517 -7.685 -13.236 1.00 52.02 C ATOM 0 H MET A 71 -3.716 -2.484 -13.198 1.00 64.33 H new ATOM 0 HA MET A 71 -3.930 -3.482 -15.810 1.00 10.34 H new ATOM 0 HB2 MET A 71 -2.360 -5.097 -15.099 1.00 74.34 H new ATOM 0 HB3 MET A 71 -2.018 -3.689 -14.113 1.00 74.34 H new ATOM 0 HG2 MET A 71 -2.042 -5.196 -12.417 1.00 13.41 H new ATOM 0 HG3 MET A 71 -3.773 -4.929 -12.472 1.00 13.41 H new ATOM 0 HE1 MET A 71 -1.512 -8.758 -13.430 1.00 52.02 H new ATOM 0 HE2 MET A 71 -0.864 -7.184 -13.951 1.00 52.02 H new ATOM 0 HE3 MET A 71 -1.159 -7.498 -12.224 1.00 52.02 H new ATOM 1112 N LYS A 72 -5.995 -4.778 -13.682 1.00 3.41 N ATOM 1113 CA LYS A 72 -7.119 -5.691 -13.524 1.00 24.31 C ATOM 1114 C LYS A 72 -8.239 -5.351 -14.502 1.00 31.12 C ATOM 1115 O LYS A 72 -8.986 -6.229 -14.937 1.00 1.04 O ATOM 1116 CB LYS A 72 -7.646 -5.640 -12.088 1.00 71.24 C ATOM 1117 CG LYS A 72 -8.518 -6.827 -11.718 1.00 75.40 C ATOM 1118 CD LYS A 72 -7.698 -8.098 -11.574 1.00 63.01 C ATOM 1119 CE LYS A 72 -6.805 -8.049 -10.344 1.00 45.21 C ATOM 1120 NZ LYS A 72 -6.254 -9.391 -10.005 1.00 54.23 N ATOM 0 H LYS A 72 -5.885 -4.109 -12.920 1.00 3.41 H new ATOM 0 HA LYS A 72 -6.768 -6.700 -13.740 1.00 24.31 H new ATOM 0 HB2 LYS A 72 -6.801 -5.593 -11.401 1.00 71.24 H new ATOM 0 HB3 LYS A 72 -8.219 -4.723 -11.952 1.00 71.24 H new ATOM 0 HG2 LYS A 72 -9.038 -6.620 -10.782 1.00 75.40 H new ATOM 0 HG3 LYS A 72 -9.282 -6.970 -12.482 1.00 75.40 H new ATOM 0 HD2 LYS A 72 -8.365 -8.957 -11.506 1.00 63.01 H new ATOM 0 HD3 LYS A 72 -7.085 -8.240 -12.464 1.00 63.01 H new ATOM 0 HE2 LYS A 72 -5.985 -7.353 -10.518 1.00 45.21 H new ATOM 0 HE3 LYS A 72 -7.374 -7.665 -9.497 1.00 45.21 H new ATOM 0 HZ1 LYS A 72 -5.651 -9.316 -9.161 1.00 54.23 H new ATOM 0 HZ2 LYS A 72 -7.036 -10.049 -9.814 1.00 54.23 H new ATOM 0 HZ3 LYS A 72 -5.690 -9.746 -10.803 1.00 54.23 H new ATOM 1134 N LEU A 73 -8.351 -4.072 -14.843 1.00 52.13 N ATOM 1135 CA LEU A 73 -9.380 -3.615 -15.771 1.00 23.10 C ATOM 1136 C LEU A 73 -9.014 -3.973 -17.208 1.00 60.14 C ATOM 1137 O LEU A 73 -9.814 -4.565 -17.934 1.00 41.13 O ATOM 1138 CB LEU A 73 -9.574 -2.103 -15.643 1.00 41.43 C ATOM 1139 CG LEU A 73 -9.478 -1.531 -14.229 1.00 23.25 C ATOM 1140 CD1 LEU A 73 -9.610 -0.016 -14.255 1.00 3.52 C ATOM 1141 CD2 LEU A 73 -10.542 -2.145 -13.332 1.00 34.21 C ATOM 0 H LEU A 73 -7.742 -3.333 -14.491 1.00 52.13 H new ATOM 0 HA LEU A 73 -10.313 -4.117 -15.517 1.00 23.10 H new ATOM 0 HB2 LEU A 73 -8.829 -1.607 -16.265 1.00 41.43 H new ATOM 0 HB3 LEU A 73 -10.552 -1.847 -16.051 1.00 41.43 H new ATOM 0 HG LEU A 73 -8.499 -1.783 -13.822 1.00 23.25 H new ATOM 0 HD11 LEU A 73 -9.539 0.373 -13.239 1.00 3.52 H new ATOM 0 HD12 LEU A 73 -8.811 0.408 -14.863 1.00 3.52 H new ATOM 0 HD13 LEU A 73 -10.575 0.258 -14.682 1.00 3.52 H new ATOM 0 HD21 LEU A 73 -10.459 -1.726 -12.329 1.00 34.21 H new ATOM 0 HD22 LEU A 73 -11.530 -1.925 -13.736 1.00 34.21 H new ATOM 0 HD23 LEU A 73 -10.401 -3.225 -13.287 1.00 34.21 H new ATOM 1153 N LEU A 74 -7.802 -3.612 -17.612 1.00 63.30 N ATOM 1154 CA LEU A 74 -7.329 -3.897 -18.962 1.00 61.31 C ATOM 1155 C LEU A 74 -7.374 -5.394 -19.250 1.00 64.25 C ATOM 1156 O LEU A 74 -7.454 -5.812 -20.406 1.00 12.03 O ATOM 1157 CB LEU A 74 -5.903 -3.374 -19.146 1.00 23.44 C ATOM 1158 CG LEU A 74 -5.762 -1.865 -19.344 1.00 35.43 C ATOM 1159 CD1 LEU A 74 -6.592 -1.402 -20.530 1.00 10.21 C ATOM 1160 CD2 LEU A 74 -6.173 -1.121 -18.081 1.00 4.34 C ATOM 0 H LEU A 74 -7.128 -3.121 -17.024 1.00 63.30 H new ATOM 0 HA LEU A 74 -7.989 -3.390 -19.666 1.00 61.31 H new ATOM 0 HB2 LEU A 74 -5.316 -3.662 -18.274 1.00 23.44 H new ATOM 0 HB3 LEU A 74 -5.462 -3.876 -20.007 1.00 23.44 H new ATOM 0 HG LEU A 74 -4.715 -1.642 -19.550 1.00 35.43 H new ATOM 0 HD11 LEU A 74 -6.479 -0.325 -20.655 1.00 10.21 H new ATOM 0 HD12 LEU A 74 -6.252 -1.910 -21.433 1.00 10.21 H new ATOM 0 HD13 LEU A 74 -7.641 -1.638 -20.354 1.00 10.21 H new ATOM 0 HD21 LEU A 74 -6.066 -0.048 -18.240 1.00 4.34 H new ATOM 0 HD22 LEU A 74 -7.212 -1.351 -17.845 1.00 4.34 H new ATOM 0 HD23 LEU A 74 -5.535 -1.430 -17.253 1.00 4.34 H new ATOM 1172 N GLU A 75 -7.325 -6.198 -18.192 1.00 2.44 N ATOM 1173 CA GLU A 75 -7.362 -7.649 -18.333 1.00 5.22 C ATOM 1174 C GLU A 75 -8.615 -8.091 -19.081 1.00 42.44 C ATOM 1175 O GLU A 75 -8.534 -8.809 -20.078 1.00 55.41 O ATOM 1176 CB GLU A 75 -7.313 -8.318 -16.958 1.00 74.11 C ATOM 1177 CG GLU A 75 -5.919 -8.759 -16.545 1.00 24.11 C ATOM 1178 CD GLU A 75 -5.511 -10.074 -17.182 1.00 34.35 C ATOM 1179 OE1 GLU A 75 -6.085 -11.118 -16.805 1.00 12.11 O ATOM 1180 OE2 GLU A 75 -4.619 -10.060 -18.055 1.00 11.32 O ATOM 0 H GLU A 75 -7.260 -5.869 -17.229 1.00 2.44 H new ATOM 0 HA GLU A 75 -6.489 -7.955 -18.910 1.00 5.22 H new ATOM 0 HB2 GLU A 75 -7.702 -7.625 -16.212 1.00 74.11 H new ATOM 0 HB3 GLU A 75 -7.973 -9.185 -16.962 1.00 74.11 H new ATOM 0 HG2 GLU A 75 -5.201 -7.987 -16.822 1.00 24.11 H new ATOM 0 HG3 GLU A 75 -5.879 -8.857 -15.460 1.00 24.11 H new ATOM 1188 N GLU A 76 -9.774 -7.657 -18.593 1.00 3.22 N ATOM 1189 CA GLU A 76 -11.045 -8.009 -19.216 1.00 25.13 C ATOM 1190 C GLU A 76 -11.283 -7.178 -20.473 1.00 41.34 C ATOM 1191 O GLU A 76 -11.945 -7.626 -21.409 1.00 5.30 O ATOM 1192 CB GLU A 76 -12.196 -7.803 -18.229 1.00 21.54 C ATOM 1193 CG GLU A 76 -11.933 -8.398 -16.856 1.00 71.44 C ATOM 1194 CD GLU A 76 -11.872 -9.914 -16.879 1.00 54.15 C ATOM 1195 OE1 GLU A 76 -10.819 -10.458 -17.272 1.00 33.33 O ATOM 1196 OE2 GLU A 76 -12.876 -10.554 -16.506 1.00 72.32 O ATOM 0 H GLU A 76 -9.858 -7.062 -17.769 1.00 3.22 H new ATOM 0 HA GLU A 76 -11.003 -9.061 -19.499 1.00 25.13 H new ATOM 0 HB2 GLU A 76 -12.386 -6.735 -18.123 1.00 21.54 H new ATOM 0 HB3 GLU A 76 -13.101 -8.248 -18.641 1.00 21.54 H new ATOM 0 HG2 GLU A 76 -10.993 -8.006 -16.468 1.00 71.44 H new ATOM 0 HG3 GLU A 76 -12.718 -8.080 -16.170 1.00 71.44 H new ATOM 1204 N ALA A 77 -10.740 -5.965 -20.486 1.00 34.23 N ATOM 1205 CA ALA A 77 -10.893 -5.072 -21.628 1.00 63.40 C ATOM 1206 C ALA A 77 -9.857 -5.377 -22.705 1.00 11.22 C ATOM 1207 O ALA A 77 -9.778 -4.682 -23.718 1.00 73.42 O ATOM 1208 CB ALA A 77 -10.782 -3.621 -21.182 1.00 23.31 C ATOM 0 H ALA A 77 -10.190 -5.578 -19.719 1.00 34.23 H new ATOM 0 HA ALA A 77 -11.882 -5.234 -22.055 1.00 63.40 H new ATOM 0 HB1 ALA A 77 -10.898 -2.965 -22.045 1.00 23.31 H new ATOM 0 HB2 ALA A 77 -11.563 -3.404 -20.453 1.00 23.31 H new ATOM 0 HB3 ALA A 77 -9.805 -3.454 -20.728 1.00 23.31 H new ATOM 1214 N GLY A 78 -9.063 -6.419 -22.479 1.00 53.13 N ATOM 1215 CA GLY A 78 -8.042 -6.796 -23.439 1.00 71.15 C ATOM 1216 C GLY A 78 -7.069 -5.669 -23.723 1.00 63.54 C ATOM 1217 O GLY A 78 -6.395 -5.667 -24.752 1.00 2.30 O ATOM 0 H GLY A 78 -9.109 -7.009 -21.648 1.00 53.13 H new ATOM 0 HA2 GLY A 78 -7.493 -7.659 -23.061 1.00 71.15 H new ATOM 0 HA3 GLY A 78 -8.519 -7.104 -24.370 1.00 71.15 H new ATOM 1221 N GLY A 79 -6.996 -4.708 -22.807 1.00 43.40 N ATOM 1222 CA GLY A 79 -6.096 -3.583 -22.984 1.00 41.34 C ATOM 1223 C GLY A 79 -6.763 -2.412 -23.679 1.00 12.24 C ATOM 1224 O GLY A 79 -6.159 -1.763 -24.531 1.00 41.50 O ATOM 0 H GLY A 79 -7.543 -4.688 -21.946 1.00 43.40 H new ATOM 0 HA2 GLY A 79 -5.726 -3.261 -22.011 1.00 41.34 H new ATOM 0 HA3 GLY A 79 -5.231 -3.902 -23.565 1.00 41.34 H new ATOM 1228 N ASN A 80 -8.012 -2.142 -23.314 1.00 22.10 N ATOM 1229 CA ASN A 80 -8.761 -1.042 -23.910 1.00 2.30 C ATOM 1230 C ASN A 80 -9.088 0.023 -22.867 1.00 2.13 C ATOM 1231 O ASN A 80 -9.987 -0.154 -22.045 1.00 23.20 O ATOM 1232 CB ASN A 80 -10.052 -1.562 -24.545 1.00 43.02 C ATOM 1233 CG ASN A 80 -10.356 -0.891 -25.871 1.00 73.41 C ATOM 1234 OD1 ASN A 80 -10.302 -1.523 -26.927 1.00 20.54 O ATOM 1235 ND2 ASN A 80 -10.678 0.397 -25.823 1.00 70.52 N ATOM 0 H ASN A 80 -8.526 -2.670 -22.609 1.00 22.10 H new ATOM 0 HA ASN A 80 -8.140 -0.590 -24.683 1.00 2.30 H new ATOM 0 HB2 ASN A 80 -9.971 -2.638 -24.696 1.00 43.02 H new ATOM 0 HB3 ASN A 80 -10.883 -1.398 -23.859 1.00 43.02 H new ATOM 0 HD21 ASN A 80 -10.893 0.901 -26.683 1.00 70.52 H new ATOM 0 HD22 ASN A 80 -10.711 0.881 -24.926 1.00 70.52 H new ATOM 1242 N TRP A 81 -8.351 1.127 -22.907 1.00 44.34 N ATOM 1243 CA TRP A 81 -8.562 2.221 -21.966 1.00 72.22 C ATOM 1244 C TRP A 81 -9.719 3.109 -22.414 1.00 21.55 C ATOM 1245 O TRP A 81 -10.302 3.836 -21.610 1.00 63.30 O ATOM 1246 CB TRP A 81 -7.287 3.055 -21.826 1.00 50.13 C ATOM 1247 CG TRP A 81 -6.099 2.254 -21.386 1.00 54.12 C ATOM 1248 CD1 TRP A 81 -5.321 1.447 -22.165 1.00 22.42 C ATOM 1249 CD2 TRP A 81 -5.558 2.183 -20.063 1.00 21.32 C ATOM 1250 NE1 TRP A 81 -4.327 0.877 -21.406 1.00 12.43 N ATOM 1251 CE2 TRP A 81 -4.449 1.314 -20.113 1.00 51.14 C ATOM 1252 CE3 TRP A 81 -5.898 2.769 -18.841 1.00 52.11 C ATOM 1253 CZ2 TRP A 81 -3.684 1.019 -18.988 1.00 62.35 C ATOM 1254 CZ3 TRP A 81 -5.137 2.475 -17.726 1.00 52.33 C ATOM 1255 CH2 TRP A 81 -4.040 1.607 -17.806 1.00 54.00 C ATOM 0 H TRP A 81 -7.602 1.288 -23.581 1.00 44.34 H new ATOM 0 HA TRP A 81 -8.813 1.790 -20.997 1.00 72.22 H new ATOM 0 HB2 TRP A 81 -7.064 3.528 -22.782 1.00 50.13 H new ATOM 0 HB3 TRP A 81 -7.462 3.856 -21.108 1.00 50.13 H new ATOM 0 HD1 TRP A 81 -5.465 1.281 -23.222 1.00 22.42 H new ATOM 0 HE1 TRP A 81 -3.614 0.233 -21.749 1.00 12.43 H new ATOM 0 HE3 TRP A 81 -6.741 3.440 -18.769 1.00 52.11 H new ATOM 0 HZ2 TRP A 81 -2.839 0.349 -19.047 1.00 62.35 H new ATOM 0 HZ3 TRP A 81 -5.392 2.922 -16.776 1.00 52.33 H new ATOM 0 HH2 TRP A 81 -3.464 1.398 -16.916 1.00 54.00 H new ATOM 1266 N SER A 82 -10.045 3.045 -23.700 1.00 62.42 N ATOM 1267 CA SER A 82 -11.130 3.845 -24.255 1.00 0.51 C ATOM 1268 C SER A 82 -12.407 3.672 -23.438 1.00 25.41 C ATOM 1269 O SER A 82 -13.036 4.649 -23.033 1.00 25.33 O ATOM 1270 CB SER A 82 -11.386 3.457 -25.712 1.00 65.35 C ATOM 1271 OG SER A 82 -11.903 4.550 -26.449 1.00 54.44 O ATOM 0 H SER A 82 -9.573 2.447 -24.378 1.00 62.42 H new ATOM 0 HA SER A 82 -10.832 4.893 -24.213 1.00 0.51 H new ATOM 0 HB2 SER A 82 -10.458 3.114 -26.168 1.00 65.35 H new ATOM 0 HB3 SER A 82 -12.088 2.624 -25.751 1.00 65.35 H new ATOM 0 HG SER A 82 -12.056 4.276 -27.377 1.00 54.44 H new ATOM 1277 N TYR A 83 -12.783 2.420 -23.200 1.00 63.31 N ATOM 1278 CA TYR A 83 -13.985 2.115 -22.434 1.00 22.14 C ATOM 1279 C TYR A 83 -13.726 2.252 -20.937 1.00 31.31 C ATOM 1280 O TYR A 83 -14.546 2.802 -20.201 1.00 64.43 O ATOM 1281 CB TYR A 83 -14.474 0.701 -22.752 1.00 33.15 C ATOM 1282 CG TYR A 83 -15.383 0.121 -21.691 1.00 1.42 C ATOM 1283 CD1 TYR A 83 -14.865 -0.602 -20.623 1.00 4.31 C ATOM 1284 CD2 TYR A 83 -16.759 0.298 -21.756 1.00 2.03 C ATOM 1285 CE1 TYR A 83 -15.692 -1.133 -19.653 1.00 23.22 C ATOM 1286 CE2 TYR A 83 -17.594 -0.229 -20.789 1.00 4.35 C ATOM 1287 CZ TYR A 83 -17.055 -0.943 -19.740 1.00 23.41 C ATOM 1288 OH TYR A 83 -17.882 -1.470 -18.775 1.00 22.12 O ATOM 0 H TYR A 83 -12.272 1.600 -23.527 1.00 63.31 H new ATOM 0 HA TYR A 83 -14.757 2.830 -22.718 1.00 22.14 H new ATOM 0 HB2 TYR A 83 -15.004 0.715 -23.704 1.00 33.15 H new ATOM 0 HB3 TYR A 83 -13.611 0.047 -22.876 1.00 33.15 H new ATOM 0 HD1 TYR A 83 -13.798 -0.751 -20.551 1.00 4.31 H new ATOM 0 HD2 TYR A 83 -17.184 0.857 -22.576 1.00 2.03 H new ATOM 0 HE1 TYR A 83 -15.274 -1.694 -18.831 1.00 23.22 H new ATOM 0 HE2 TYR A 83 -18.662 -0.082 -20.855 1.00 4.35 H new ATOM 0 HH TYR A 83 -18.813 -1.245 -18.983 1.00 22.12 H new ATOM 1298 N ILE A 84 -12.580 1.747 -20.493 1.00 10.45 N ATOM 1299 CA ILE A 84 -12.211 1.814 -19.084 1.00 25.04 C ATOM 1300 C ILE A 84 -12.171 3.257 -18.593 1.00 44.32 C ATOM 1301 O ILE A 84 -12.329 3.524 -17.402 1.00 50.34 O ATOM 1302 CB ILE A 84 -10.840 1.159 -18.830 1.00 11.33 C ATOM 1303 CG1 ILE A 84 -10.895 -0.335 -19.154 1.00 4.22 C ATOM 1304 CG2 ILE A 84 -10.407 1.378 -17.388 1.00 50.32 C ATOM 1305 CD1 ILE A 84 -9.553 -1.026 -19.050 1.00 12.22 C ATOM 0 H ILE A 84 -11.891 1.287 -21.088 1.00 10.45 H new ATOM 0 HA ILE A 84 -12.975 1.267 -18.532 1.00 25.04 H new ATOM 0 HB ILE A 84 -10.105 1.626 -19.485 1.00 11.33 H new ATOM 0 HG12 ILE A 84 -11.598 -0.820 -18.476 1.00 4.22 H new ATOM 0 HG13 ILE A 84 -11.284 -0.465 -20.164 1.00 4.22 H new ATOM 0 HG21 ILE A 84 -9.437 0.909 -17.224 1.00 50.32 H new ATOM 0 HG22 ILE A 84 -10.332 2.447 -17.189 1.00 50.32 H new ATOM 0 HG23 ILE A 84 -11.142 0.935 -16.716 1.00 50.32 H new ATOM 0 HD11 ILE A 84 -9.668 -2.082 -19.293 1.00 12.22 H new ATOM 0 HD12 ILE A 84 -8.852 -0.567 -19.748 1.00 12.22 H new ATOM 0 HD13 ILE A 84 -9.171 -0.927 -18.034 1.00 12.22 H new ATOM 1317 N LYS A 85 -11.962 4.185 -19.520 1.00 4.24 N ATOM 1318 CA LYS A 85 -11.905 5.603 -19.184 1.00 4.21 C ATOM 1319 C LYS A 85 -13.236 6.286 -19.480 1.00 62.12 C ATOM 1320 O LYS A 85 -13.393 7.487 -19.256 1.00 50.31 O ATOM 1321 CB LYS A 85 -10.783 6.290 -19.967 1.00 63.51 C ATOM 1322 CG LYS A 85 -11.233 6.862 -21.299 1.00 44.53 C ATOM 1323 CD LYS A 85 -10.108 6.848 -22.321 1.00 30.51 C ATOM 1324 CE LYS A 85 -8.833 7.452 -21.754 1.00 3.52 C ATOM 1325 NZ LYS A 85 -9.070 8.802 -21.172 1.00 21.04 N ATOM 0 H LYS A 85 -11.829 3.981 -20.510 1.00 4.24 H new ATOM 0 HA LYS A 85 -11.701 5.689 -18.117 1.00 4.21 H new ATOM 0 HB2 LYS A 85 -10.366 7.093 -19.359 1.00 63.51 H new ATOM 0 HB3 LYS A 85 -9.981 5.573 -20.142 1.00 63.51 H new ATOM 0 HG2 LYS A 85 -12.077 6.285 -21.677 1.00 44.53 H new ATOM 0 HG3 LYS A 85 -11.584 7.884 -21.157 1.00 44.53 H new ATOM 0 HD2 LYS A 85 -9.916 5.823 -22.639 1.00 30.51 H new ATOM 0 HD3 LYS A 85 -10.413 7.405 -23.207 1.00 30.51 H new ATOM 0 HE2 LYS A 85 -8.428 6.792 -20.987 1.00 3.52 H new ATOM 0 HE3 LYS A 85 -8.083 7.523 -22.542 1.00 3.52 H new ATOM 0 HZ1 LYS A 85 -8.252 9.413 -21.368 1.00 21.04 H new ATOM 0 HZ2 LYS A 85 -9.923 9.218 -21.597 1.00 21.04 H new ATOM 0 HZ3 LYS A 85 -9.201 8.719 -20.144 1.00 21.04 H new ATOM 1339 N LEU A 86 -14.193 5.514 -19.984 1.00 41.15 N ATOM 1340 CA LEU A 86 -15.512 6.044 -20.309 1.00 1.31 C ATOM 1341 C LEU A 86 -16.132 6.741 -19.102 1.00 72.31 C ATOM 1342 O LEU A 86 -16.970 7.631 -19.249 1.00 31.22 O ATOM 1343 CB LEU A 86 -16.431 4.921 -20.792 1.00 61.23 C ATOM 1344 CG LEU A 86 -17.838 5.340 -21.218 1.00 74.34 C ATOM 1345 CD1 LEU A 86 -17.890 5.589 -22.717 1.00 75.43 C ATOM 1346 CD2 LEU A 86 -18.855 4.282 -20.815 1.00 71.33 C ATOM 0 H LEU A 86 -14.080 4.519 -20.176 1.00 41.15 H new ATOM 0 HA LEU A 86 -15.394 6.777 -21.107 1.00 1.31 H new ATOM 0 HB2 LEU A 86 -15.951 4.424 -21.635 1.00 61.23 H new ATOM 0 HB3 LEU A 86 -16.519 4.183 -19.995 1.00 61.23 H new ATOM 0 HG LEU A 86 -18.090 6.270 -20.707 1.00 74.34 H new ATOM 0 HD11 LEU A 86 -18.899 5.886 -23.002 1.00 75.43 H new ATOM 0 HD12 LEU A 86 -17.191 6.383 -22.978 1.00 75.43 H new ATOM 0 HD13 LEU A 86 -17.617 4.676 -23.247 1.00 75.43 H new ATOM 0 HD21 LEU A 86 -19.851 4.597 -21.126 1.00 71.33 H new ATOM 0 HD22 LEU A 86 -18.607 3.336 -21.297 1.00 71.33 H new ATOM 0 HD23 LEU A 86 -18.837 4.153 -19.733 1.00 71.33 H new ATOM 1358 N ASP A 87 -15.713 6.330 -17.910 1.00 42.34 N ATOM 1359 CA ASP A 87 -16.225 6.916 -16.677 1.00 34.04 C ATOM 1360 C ASP A 87 -15.090 7.501 -15.841 1.00 63.53 C ATOM 1361 O ASP A 87 -15.204 7.626 -14.623 1.00 55.10 O ATOM 1362 CB ASP A 87 -16.984 5.867 -15.865 1.00 74.33 C ATOM 1363 CG ASP A 87 -17.770 4.913 -16.743 1.00 72.11 C ATOM 1364 OD1 ASP A 87 -18.478 5.391 -17.654 1.00 43.25 O ATOM 1365 OD2 ASP A 87 -17.677 3.688 -16.520 1.00 32.05 O ATOM 0 H ASP A 87 -15.021 5.594 -17.772 1.00 42.34 H new ATOM 0 HA ASP A 87 -16.909 7.722 -16.944 1.00 34.04 H new ATOM 0 HB2 ASP A 87 -16.278 5.300 -15.259 1.00 74.33 H new ATOM 0 HB3 ASP A 87 -17.665 6.367 -15.177 1.00 74.33 H new ATOM 1371 N ASN A 88 -13.994 7.854 -16.505 1.00 54.43 N ATOM 1372 CA ASN A 88 -12.838 8.423 -15.823 1.00 45.10 C ATOM 1373 C ASN A 88 -12.191 7.395 -14.900 1.00 33.15 C ATOM 1374 O ASN A 88 -11.779 7.719 -13.785 1.00 0.51 O ATOM 1375 CB ASN A 88 -13.249 9.659 -15.021 1.00 71.34 C ATOM 1376 CG ASN A 88 -12.220 10.770 -15.102 1.00 33.54 C ATOM 1377 OD1 ASN A 88 -10.952 10.415 -14.927 1.00 75.32 O flip ATOM 1378 ND2 ASN A 88 -12.560 11.933 -15.319 1.00 3.23 N flip ATOM 0 H ASN A 88 -13.882 7.756 -17.514 1.00 54.43 H new ATOM 0 HA ASN A 88 -12.109 8.716 -16.579 1.00 45.10 H new ATOM 0 HB2 ASN A 88 -14.206 10.027 -15.391 1.00 71.34 H new ATOM 0 HB3 ASN A 88 -13.396 9.379 -13.978 1.00 71.34 H new ATOM 0 HD21 ASN A 88 -13.546 12.161 -15.447 1.00 3.23 H new ATOM 0 HD22 ASN A 88 -11.856 12.669 -15.370 1.00 3.23 H new ATOM 1385 N TYR A 89 -12.106 6.156 -15.369 1.00 2.11 N ATOM 1386 CA TYR A 89 -11.511 5.080 -14.585 1.00 40.11 C ATOM 1387 C TYR A 89 -12.289 4.854 -13.293 1.00 75.52 C ATOM 1388 O TYR A 89 -11.705 4.621 -12.233 1.00 54.44 O ATOM 1389 CB TYR A 89 -10.051 5.401 -14.264 1.00 43.12 C ATOM 1390 CG TYR A 89 -9.205 5.662 -15.490 1.00 3.43 C ATOM 1391 CD1 TYR A 89 -9.465 5.011 -16.689 1.00 3.00 C ATOM 1392 CD2 TYR A 89 -8.147 6.561 -15.449 1.00 2.43 C ATOM 1393 CE1 TYR A 89 -8.694 5.247 -17.811 1.00 71.05 C ATOM 1394 CE2 TYR A 89 -7.372 6.804 -16.566 1.00 2.34 C ATOM 1395 CZ TYR A 89 -7.649 6.144 -17.745 1.00 43.11 C ATOM 1396 OH TYR A 89 -6.880 6.382 -18.861 1.00 3.05 O ATOM 0 H TYR A 89 -12.442 5.871 -16.289 1.00 2.11 H new ATOM 0 HA TYR A 89 -11.553 4.167 -15.178 1.00 40.11 H new ATOM 0 HB2 TYR A 89 -10.014 6.276 -13.615 1.00 43.12 H new ATOM 0 HB3 TYR A 89 -9.620 4.571 -13.705 1.00 43.12 H new ATOM 0 HD1 TYR A 89 -10.283 4.309 -16.745 1.00 3.00 H new ATOM 0 HD2 TYR A 89 -7.927 7.079 -14.527 1.00 2.43 H new ATOM 0 HE1 TYR A 89 -8.909 4.731 -18.735 1.00 71.05 H new ATOM 0 HE2 TYR A 89 -6.554 7.507 -16.517 1.00 2.34 H new ATOM 0 HH TYR A 89 -6.187 7.040 -18.646 1.00 3.05 H new ATOM 1406 N THR A 90 -13.615 4.923 -13.387 1.00 21.25 N ATOM 1407 CA THR A 90 -14.475 4.726 -12.227 1.00 2.42 C ATOM 1408 C THR A 90 -14.129 3.434 -11.498 1.00 45.02 C ATOM 1409 O THR A 90 -14.292 3.331 -10.283 1.00 54.12 O ATOM 1410 CB THR A 90 -15.960 4.694 -12.629 1.00 73.35 C ATOM 1411 OG1 THR A 90 -16.385 5.998 -13.043 1.00 64.42 O ATOM 1412 CG2 THR A 90 -16.824 4.218 -11.471 1.00 34.30 C ATOM 0 H THR A 90 -14.115 5.114 -14.255 1.00 21.25 H new ATOM 0 HA THR A 90 -14.305 5.571 -11.560 1.00 2.42 H new ATOM 0 HB THR A 90 -16.073 3.995 -13.458 1.00 73.35 H new ATOM 0 HG1 THR A 90 -15.623 6.486 -13.420 1.00 64.42 H new ATOM 0 HG21 THR A 90 -17.869 4.204 -11.779 1.00 34.30 H new ATOM 0 HG22 THR A 90 -16.518 3.214 -11.178 1.00 34.30 H new ATOM 0 HG23 THR A 90 -16.704 4.895 -10.625 1.00 34.30 H new ATOM 1420 N ALA A 91 -13.649 2.447 -12.249 1.00 64.41 N ATOM 1421 CA ALA A 91 -13.277 1.160 -11.673 1.00 44.44 C ATOM 1422 C ALA A 91 -12.256 1.335 -10.554 1.00 71.31 C ATOM 1423 O ALA A 91 -12.290 0.618 -9.553 1.00 20.41 O ATOM 1424 CB ALA A 91 -12.727 0.239 -12.752 1.00 73.52 C ATOM 0 H ALA A 91 -13.509 2.514 -13.257 1.00 64.41 H new ATOM 0 HA ALA A 91 -14.172 0.708 -11.246 1.00 44.44 H new ATOM 0 HB1 ALA A 91 -12.453 -0.718 -12.308 1.00 73.52 H new ATOM 0 HB2 ALA A 91 -13.487 0.080 -13.517 1.00 73.52 H new ATOM 0 HB3 ALA A 91 -11.846 0.694 -13.205 1.00 73.52 H new ATOM 1430 N LEU A 92 -11.351 2.290 -10.729 1.00 31.53 N ATOM 1431 CA LEU A 92 -10.319 2.558 -9.733 1.00 31.43 C ATOM 1432 C LEU A 92 -10.934 3.083 -8.439 1.00 32.52 C ATOM 1433 O LEU A 92 -10.442 2.802 -7.346 1.00 74.54 O ATOM 1434 CB LEU A 92 -9.308 3.568 -10.276 1.00 31.15 C ATOM 1435 CG LEU A 92 -9.676 5.043 -10.110 1.00 11.14 C ATOM 1436 CD1 LEU A 92 -9.185 5.568 -8.769 1.00 2.22 C ATOM 1437 CD2 LEU A 92 -9.100 5.868 -11.251 1.00 33.11 C ATOM 0 H LEU A 92 -11.310 2.892 -11.551 1.00 31.53 H new ATOM 0 HA LEU A 92 -9.806 1.621 -9.516 1.00 31.43 H new ATOM 0 HB2 LEU A 92 -8.352 3.395 -9.783 1.00 31.15 H new ATOM 0 HB3 LEU A 92 -9.160 3.369 -11.337 1.00 31.15 H new ATOM 0 HG LEU A 92 -10.762 5.132 -10.136 1.00 11.14 H new ATOM 0 HD11 LEU A 92 -9.456 6.619 -8.668 1.00 2.22 H new ATOM 0 HD12 LEU A 92 -9.646 4.996 -7.964 1.00 2.22 H new ATOM 0 HD13 LEU A 92 -8.101 5.466 -8.713 1.00 2.22 H new ATOM 0 HD21 LEU A 92 -9.372 6.915 -11.116 1.00 33.11 H new ATOM 0 HD22 LEU A 92 -8.014 5.773 -11.257 1.00 33.11 H new ATOM 0 HD23 LEU A 92 -9.501 5.508 -12.199 1.00 33.11 H new ATOM 1449 N VAL A 93 -12.014 3.846 -8.571 1.00 52.24 N ATOM 1450 CA VAL A 93 -12.700 4.407 -7.413 1.00 31.12 C ATOM 1451 C VAL A 93 -13.289 3.308 -6.536 1.00 60.33 C ATOM 1452 O VAL A 93 -13.083 3.291 -5.322 1.00 51.33 O ATOM 1453 CB VAL A 93 -13.826 5.368 -7.839 1.00 31.11 C ATOM 1454 CG1 VAL A 93 -14.753 5.656 -6.667 1.00 13.52 C ATOM 1455 CG2 VAL A 93 -13.243 6.656 -8.398 1.00 54.43 C ATOM 0 H VAL A 93 -12.433 4.090 -9.468 1.00 52.24 H new ATOM 0 HA VAL A 93 -11.955 4.962 -6.843 1.00 31.12 H new ATOM 0 HB VAL A 93 -14.411 4.890 -8.625 1.00 31.11 H new ATOM 0 HG11 VAL A 93 -15.542 6.337 -6.986 1.00 13.52 H new ATOM 0 HG12 VAL A 93 -15.197 4.724 -6.317 1.00 13.52 H new ATOM 0 HG13 VAL A 93 -14.185 6.114 -5.857 1.00 13.52 H new ATOM 0 HG21 VAL A 93 -14.052 7.323 -8.694 1.00 54.43 H new ATOM 0 HG22 VAL A 93 -12.634 7.141 -7.635 1.00 54.43 H new ATOM 0 HG23 VAL A 93 -12.624 6.429 -9.266 1.00 54.43 H new ATOM 1465 N ASP A 94 -14.021 2.391 -7.159 1.00 34.22 N ATOM 1466 CA ASP A 94 -14.639 1.287 -6.435 1.00 64.22 C ATOM 1467 C ASP A 94 -13.599 0.239 -6.050 1.00 54.13 C ATOM 1468 O ASP A 94 -13.739 -0.446 -5.038 1.00 14.42 O ATOM 1469 CB ASP A 94 -15.737 0.643 -7.284 1.00 53.31 C ATOM 1470 CG ASP A 94 -16.667 -0.230 -6.465 1.00 32.23 C ATOM 1471 OD1 ASP A 94 -16.686 -1.457 -6.696 1.00 1.11 O ATOM 1472 OD2 ASP A 94 -17.374 0.313 -5.590 1.00 12.21 O ATOM 0 H ASP A 94 -14.201 2.390 -8.163 1.00 34.22 H new ATOM 0 HA ASP A 94 -15.082 1.687 -5.523 1.00 64.22 H new ATOM 0 HB2 ASP A 94 -16.317 1.424 -7.776 1.00 53.31 H new ATOM 0 HB3 ASP A 94 -15.279 0.043 -8.070 1.00 53.31 H new ATOM 1478 N ALA A 95 -12.556 0.120 -6.866 1.00 51.13 N ATOM 1479 CA ALA A 95 -11.492 -0.842 -6.610 1.00 11.14 C ATOM 1480 C ALA A 95 -10.649 -0.423 -5.410 1.00 43.34 C ATOM 1481 O ALA A 95 -10.514 -1.171 -4.443 1.00 31.42 O ATOM 1482 CB ALA A 95 -10.617 -1.001 -7.844 1.00 5.21 C ATOM 0 H ALA A 95 -12.426 0.678 -7.710 1.00 51.13 H new ATOM 0 HA ALA A 95 -11.952 -1.803 -6.378 1.00 11.14 H new ATOM 0 HB1 ALA A 95 -9.826 -1.723 -7.639 1.00 5.21 H new ATOM 0 HB2 ALA A 95 -11.224 -1.355 -8.677 1.00 5.21 H new ATOM 0 HB3 ALA A 95 -10.173 -0.039 -8.102 1.00 5.21 H new ATOM 1488 N ILE A 96 -10.083 0.777 -5.482 1.00 43.52 N ATOM 1489 CA ILE A 96 -9.253 1.296 -4.402 1.00 61.31 C ATOM 1490 C ILE A 96 -10.049 1.417 -3.107 1.00 43.43 C ATOM 1491 O ILE A 96 -9.517 1.207 -2.017 1.00 64.10 O ATOM 1492 CB ILE A 96 -8.661 2.673 -4.758 1.00 63.52 C ATOM 1493 CG1 ILE A 96 -7.766 2.562 -5.994 1.00 11.41 C ATOM 1494 CG2 ILE A 96 -7.880 3.233 -3.579 1.00 4.04 C ATOM 1495 CD1 ILE A 96 -6.546 1.693 -5.782 1.00 11.23 C ATOM 0 H ILE A 96 -10.184 1.408 -6.277 1.00 43.52 H new ATOM 0 HA ILE A 96 -8.439 0.585 -4.261 1.00 61.31 H new ATOM 0 HB ILE A 96 -9.478 3.358 -4.985 1.00 63.52 H new ATOM 0 HG12 ILE A 96 -8.351 2.158 -6.820 1.00 11.41 H new ATOM 0 HG13 ILE A 96 -7.444 3.560 -6.290 1.00 11.41 H new ATOM 0 HG21 ILE A 96 -7.467 4.206 -3.845 1.00 4.04 H new ATOM 0 HG22 ILE A 96 -8.544 3.343 -2.722 1.00 4.04 H new ATOM 0 HG23 ILE A 96 -7.068 2.552 -3.324 1.00 4.04 H new ATOM 0 HD11 ILE A 96 -5.959 1.660 -6.700 1.00 11.23 H new ATOM 0 HD12 ILE A 96 -5.939 2.108 -4.977 1.00 11.23 H new ATOM 0 HD13 ILE A 96 -6.860 0.684 -5.516 1.00 11.23 H new ATOM 1507 N TYR A 97 -11.327 1.756 -3.234 1.00 61.32 N ATOM 1508 CA TYR A 97 -12.197 1.905 -2.074 1.00 71.11 C ATOM 1509 C TYR A 97 -12.294 0.598 -1.293 1.00 24.03 C ATOM 1510 O TYR A 97 -12.395 0.601 -0.066 1.00 63.24 O ATOM 1511 CB TYR A 97 -13.592 2.355 -2.511 1.00 72.12 C ATOM 1512 CG TYR A 97 -13.796 3.852 -2.441 1.00 64.14 C ATOM 1513 CD1 TYR A 97 -12.790 4.728 -2.830 1.00 62.04 C ATOM 1514 CD2 TYR A 97 -14.993 4.389 -1.985 1.00 3.41 C ATOM 1515 CE1 TYR A 97 -12.971 6.096 -2.768 1.00 33.11 C ATOM 1516 CE2 TYR A 97 -15.184 5.757 -1.921 1.00 24.51 C ATOM 1517 CZ TYR A 97 -14.169 6.605 -2.313 1.00 33.11 C ATOM 1518 OH TYR A 97 -14.355 7.967 -2.248 1.00 20.42 O ATOM 0 H TYR A 97 -11.783 1.933 -4.129 1.00 61.32 H new ATOM 0 HA TYR A 97 -11.764 2.665 -1.423 1.00 71.11 H new ATOM 0 HB2 TYR A 97 -13.769 2.020 -3.533 1.00 72.12 H new ATOM 0 HB3 TYR A 97 -14.336 1.866 -1.882 1.00 72.12 H new ATOM 0 HD1 TYR A 97 -11.851 4.333 -3.187 1.00 62.04 H new ATOM 0 HD2 TYR A 97 -15.788 3.727 -1.675 1.00 3.41 H new ATOM 0 HE1 TYR A 97 -12.179 6.763 -3.074 1.00 33.11 H new ATOM 0 HE2 TYR A 97 -16.122 6.159 -1.566 1.00 24.51 H new ATOM 0 HH TYR A 97 -15.254 8.159 -1.907 1.00 20.42 H new ATOM 1528 N SER A 98 -12.261 -0.519 -2.014 1.00 41.40 N ATOM 1529 CA SER A 98 -12.347 -1.833 -1.391 1.00 61.43 C ATOM 1530 C SER A 98 -11.022 -2.213 -0.736 1.00 21.32 C ATOM 1531 O SER A 98 -10.973 -2.535 0.450 1.00 33.44 O ATOM 1532 CB SER A 98 -12.736 -2.888 -2.428 1.00 74.24 C ATOM 1533 OG SER A 98 -14.144 -3.031 -2.506 1.00 44.34 O ATOM 0 H SER A 98 -12.175 -0.539 -3.030 1.00 41.40 H new ATOM 0 HA SER A 98 -13.115 -1.791 -0.619 1.00 61.43 H new ATOM 0 HB2 SER A 98 -12.341 -2.606 -3.404 1.00 74.24 H new ATOM 0 HB3 SER A 98 -12.284 -3.845 -2.166 1.00 74.24 H new ATOM 0 HG SER A 98 -14.367 -3.710 -3.177 1.00 44.34 H new ATOM 1539 N VAL A 99 -9.949 -2.172 -1.519 1.00 45.13 N ATOM 1540 CA VAL A 99 -8.622 -2.510 -1.018 1.00 71.42 C ATOM 1541 C VAL A 99 -8.219 -1.592 0.130 1.00 40.31 C ATOM 1542 O VAL A 99 -7.885 -2.055 1.219 1.00 13.24 O ATOM 1543 CB VAL A 99 -7.561 -2.421 -2.131 1.00 74.23 C ATOM 1544 CG1 VAL A 99 -6.223 -2.947 -1.637 1.00 72.43 C ATOM 1545 CG2 VAL A 99 -8.020 -3.181 -3.366 1.00 74.43 C ATOM 0 H VAL A 99 -9.973 -1.908 -2.504 1.00 45.13 H new ATOM 0 HA VAL A 99 -8.672 -3.537 -0.657 1.00 71.42 H new ATOM 0 HB VAL A 99 -7.433 -1.374 -2.404 1.00 74.23 H new ATOM 0 HG11 VAL A 99 -5.486 -2.876 -2.437 1.00 72.43 H new ATOM 0 HG12 VAL A 99 -5.891 -2.354 -0.785 1.00 72.43 H new ATOM 0 HG13 VAL A 99 -6.331 -3.989 -1.334 1.00 72.43 H new ATOM 0 HG21 VAL A 99 -7.258 -3.108 -4.142 1.00 74.43 H new ATOM 0 HG22 VAL A 99 -8.178 -4.229 -3.111 1.00 74.43 H new ATOM 0 HG23 VAL A 99 -8.953 -2.752 -3.731 1.00 74.43 H new ATOM 1555 N GLU A 100 -8.253 -0.287 -0.124 1.00 3.11 N ATOM 1556 CA GLU A 100 -7.889 0.697 0.888 1.00 11.43 C ATOM 1557 C GLU A 100 -8.641 0.440 2.191 1.00 74.03 C ATOM 1558 O GLU A 100 -8.136 0.722 3.278 1.00 41.02 O ATOM 1559 CB GLU A 100 -8.185 2.112 0.386 1.00 31.40 C ATOM 1560 CG GLU A 100 -9.636 2.528 0.558 1.00 74.45 C ATOM 1561 CD GLU A 100 -9.939 3.867 -0.084 1.00 52.01 C ATOM 1562 OE1 GLU A 100 -11.089 4.339 0.043 1.00 1.22 O ATOM 1563 OE2 GLU A 100 -9.028 4.444 -0.713 1.00 11.23 O ATOM 0 H GLU A 100 -8.529 0.112 -1.021 1.00 3.11 H new ATOM 0 HA GLU A 100 -6.820 0.604 1.080 1.00 11.43 H new ATOM 0 HB2 GLU A 100 -7.548 2.818 0.919 1.00 31.40 H new ATOM 0 HB3 GLU A 100 -7.920 2.177 -0.669 1.00 31.40 H new ATOM 0 HG2 GLU A 100 -10.282 1.766 0.123 1.00 74.45 H new ATOM 0 HG3 GLU A 100 -9.872 2.577 1.621 1.00 74.45 H new