USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.13 K(o=-2.1,f=-1.6) USER MOD Single : A 51 THR OG1 : rot 64:sc= 0.182 USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= -0.106 (180deg=-0.488) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -163:sc= -0.04 (180deg=-0.379) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 84:sc= 1.27 USER MOD Single : A 82 HIS : no HD1:sc= -0.132 K(o=-0.13,f=-2.7!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -45:sc= 0.418 USER MOD Single : A 89 GLN : amide:sc= -0.044 X(o=-0.044,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.81) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.7) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 526 N PHE A 34 83.133 31.567 10.997 1.00 0.00 N ATOM 527 CA PHE A 34 82.939 32.281 9.740 1.00 0.00 C ATOM 528 C PHE A 34 82.651 33.758 9.991 1.00 0.00 C ATOM 529 O PHE A 34 82.314 34.156 11.107 1.00 0.00 O ATOM 530 CB PHE A 34 81.793 31.653 8.945 1.00 0.00 C ATOM 531 CG PHE A 34 80.655 31.181 9.805 1.00 0.00 C ATOM 532 CD1 PHE A 34 80.021 32.050 10.677 1.00 0.00 C ATOM 533 CD2 PHE A 34 80.221 29.866 9.741 1.00 0.00 C ATOM 534 CE1 PHE A 34 78.974 31.619 11.469 1.00 0.00 C ATOM 535 CE2 PHE A 34 79.175 29.429 10.531 1.00 0.00 C ATOM 536 CZ PHE A 34 78.551 30.306 11.397 1.00 0.00 C ATOM 0 HA PHE A 34 83.859 32.203 9.161 1.00 0.00 H new ATOM 0 HB2 PHE A 34 81.417 32.382 8.227 1.00 0.00 H new ATOM 0 HB3 PHE A 34 82.178 30.810 8.371 1.00 0.00 H new ATOM 0 HD1 PHE A 34 80.349 33.077 10.739 1.00 0.00 H new ATOM 0 HD2 PHE A 34 80.706 29.176 9.066 1.00 0.00 H new ATOM 0 HE1 PHE A 34 78.487 32.308 12.143 1.00 0.00 H new ATOM 0 HE2 PHE A 34 78.845 28.402 10.471 1.00 0.00 H new ATOM 0 HZ PHE A 34 77.734 29.966 12.016 1.00 0.00 H new ATOM 546 N THR A 35 82.785 34.567 8.945 1.00 0.00 N ATOM 547 CA THR A 35 82.541 36.000 9.052 1.00 0.00 C ATOM 548 C THR A 35 81.259 36.395 8.327 1.00 0.00 C ATOM 549 O THR A 35 80.773 35.665 7.463 1.00 0.00 O ATOM 550 CB THR A 35 83.714 36.814 8.475 1.00 0.00 C ATOM 551 OG1 THR A 35 84.951 36.140 8.732 1.00 0.00 O ATOM 552 CG2 THR A 35 83.755 38.209 9.082 1.00 0.00 C ATOM 0 H THR A 35 83.061 34.254 8.014 1.00 0.00 H new ATOM 0 HA THR A 35 82.439 36.225 10.114 1.00 0.00 H new ATOM 0 HB THR A 35 83.568 36.907 7.399 1.00 0.00 H new ATOM 0 HG1 THR A 35 85.692 36.663 8.361 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.592 38.765 8.659 1.00 0.00 H new ATOM 0 HG22 THR A 35 82.824 38.730 8.860 1.00 0.00 H new ATOM 0 HG23 THR A 35 83.879 38.132 10.162 1.00 0.00 H new ATOM 560 N VAL A 36 80.715 37.554 8.684 1.00 0.00 N ATOM 561 CA VAL A 36 79.490 38.047 8.066 1.00 0.00 C ATOM 562 C VAL A 36 79.594 38.023 6.545 1.00 0.00 C ATOM 563 O VAL A 36 78.617 37.746 5.851 1.00 0.00 O ATOM 564 CB VAL A 36 79.167 39.481 8.526 1.00 0.00 C ATOM 565 CG1 VAL A 36 80.348 40.404 8.266 1.00 0.00 C ATOM 566 CG2 VAL A 36 77.916 39.994 7.830 1.00 0.00 C ATOM 0 H VAL A 36 81.104 38.169 9.399 1.00 0.00 H new ATOM 0 HA VAL A 36 78.686 37.383 8.383 1.00 0.00 H new ATOM 0 HB VAL A 36 78.978 39.466 9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 36 80.101 41.413 8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 36 81.218 40.044 8.815 1.00 0.00 H new ATOM 0 HG13 VAL A 36 80.572 40.417 7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 36 77.702 41.008 8.167 1.00 0.00 H new ATOM 0 HG22 VAL A 36 78.074 39.995 6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 36 77.073 39.346 8.072 1.00 0.00 H new ATOM 576 N ALA A 37 80.786 38.315 6.035 1.00 0.00 N ATOM 577 CA ALA A 37 81.018 38.325 4.596 1.00 0.00 C ATOM 578 C ALA A 37 80.962 36.914 4.021 1.00 0.00 C ATOM 579 O ALA A 37 80.293 36.669 3.018 1.00 0.00 O ATOM 580 CB ALA A 37 82.360 38.972 4.282 1.00 0.00 C ATOM 0 H ALA A 37 81.605 38.548 6.596 1.00 0.00 H new ATOM 0 HA ALA A 37 80.226 38.911 4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 37 82.520 38.973 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 37 82.364 39.998 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 37 83.158 38.409 4.767 1.00 0.00 H new ATOM 586 N GLU A 38 81.671 35.990 4.662 1.00 0.00 N ATOM 587 CA GLU A 38 81.702 34.603 4.212 1.00 0.00 C ATOM 588 C GLU A 38 80.307 33.986 4.256 1.00 0.00 C ATOM 589 O GLU A 38 79.856 33.373 3.288 1.00 0.00 O ATOM 590 CB GLU A 38 82.661 33.784 5.078 1.00 0.00 C ATOM 591 CG GLU A 38 82.773 32.330 4.654 1.00 0.00 C ATOM 592 CD GLU A 38 84.002 32.062 3.806 1.00 0.00 C ATOM 593 OE1 GLU A 38 84.279 32.869 2.894 1.00 0.00 O ATOM 594 OE2 GLU A 38 84.686 31.048 4.055 1.00 0.00 O ATOM 0 H GLU A 38 82.231 36.177 5.494 1.00 0.00 H new ATOM 0 HA GLU A 38 82.054 34.590 3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 38 83.650 34.241 5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.327 33.827 6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.804 31.698 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.881 32.049 4.094 1.00 0.00 H new ATOM 601 N VAL A 39 79.628 34.152 5.387 1.00 0.00 N ATOM 602 CA VAL A 39 78.284 33.612 5.558 1.00 0.00 C ATOM 603 C VAL A 39 77.311 34.235 4.563 1.00 0.00 C ATOM 604 O VAL A 39 76.413 33.564 4.055 1.00 0.00 O ATOM 605 CB VAL A 39 77.762 33.849 6.987 1.00 0.00 C ATOM 606 CG1 VAL A 39 76.345 33.314 7.134 1.00 0.00 C ATOM 607 CG2 VAL A 39 78.691 33.207 8.006 1.00 0.00 C ATOM 0 H VAL A 39 79.986 34.656 6.198 1.00 0.00 H new ATOM 0 HA VAL A 39 78.348 32.539 5.376 1.00 0.00 H new ATOM 0 HB VAL A 39 77.740 34.923 7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.993 33.490 8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.689 33.824 6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.337 32.244 6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 39 78.307 33.384 9.011 1.00 0.00 H new ATOM 0 HG22 VAL A 39 78.746 32.134 7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 39 79.686 33.642 7.916 1.00 0.00 H new ATOM 617 N GLU A 40 77.497 35.522 4.289 1.00 0.00 N ATOM 618 CA GLU A 40 76.634 36.236 3.355 1.00 0.00 C ATOM 619 C GLU A 40 76.785 35.680 1.941 1.00 0.00 C ATOM 620 O GLU A 40 75.796 35.419 1.255 1.00 0.00 O ATOM 621 CB GLU A 40 76.960 37.731 3.364 1.00 0.00 C ATOM 622 CG GLU A 40 76.206 38.512 4.427 1.00 0.00 C ATOM 623 CD GLU A 40 76.821 39.871 4.698 1.00 0.00 C ATOM 624 OE1 GLU A 40 77.965 40.104 4.254 1.00 0.00 O ATOM 625 OE2 GLU A 40 76.158 40.702 5.354 1.00 0.00 O ATOM 0 H GLU A 40 78.237 36.091 4.700 1.00 0.00 H new ATOM 0 HA GLU A 40 75.601 36.095 3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.031 37.860 3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.729 38.150 2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 40 75.171 38.642 4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 40 76.187 37.935 5.352 1.00 0.00 H new ATOM 632 N LEU A 41 78.030 35.502 1.512 1.00 0.00 N ATOM 633 CA LEU A 41 78.312 34.978 0.181 1.00 0.00 C ATOM 634 C LEU A 41 77.704 33.590 0.002 1.00 0.00 C ATOM 635 O LEU A 41 77.043 33.315 -1.001 1.00 0.00 O ATOM 636 CB LEU A 41 79.822 34.920 -0.057 1.00 0.00 C ATOM 637 CG LEU A 41 80.551 36.264 -0.073 1.00 0.00 C ATOM 638 CD1 LEU A 41 82.030 36.073 0.226 1.00 0.00 C ATOM 639 CD2 LEU A 41 80.361 36.958 -1.414 1.00 0.00 C ATOM 0 H LEU A 41 78.860 35.713 2.067 1.00 0.00 H new ATOM 0 HA LEU A 41 77.861 35.649 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.268 34.297 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 41 80.001 34.421 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 41 80.123 36.897 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.532 37.040 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 41 82.147 35.620 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.473 35.422 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 41 80.887 37.913 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 41 80.761 36.329 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 41 79.299 37.130 -1.587 1.00 0.00 H new ATOM 651 N LEU A 42 77.930 32.720 0.980 1.00 0.00 N ATOM 652 CA LEU A 42 77.403 31.361 0.932 1.00 0.00 C ATOM 653 C LEU A 42 75.887 31.371 0.764 1.00 0.00 C ATOM 654 O LEU A 42 75.348 30.738 -0.144 1.00 0.00 O ATOM 655 CB LEU A 42 77.781 30.601 2.205 1.00 0.00 C ATOM 656 CG LEU A 42 77.211 29.189 2.337 1.00 0.00 C ATOM 657 CD1 LEU A 42 78.159 28.303 3.131 1.00 0.00 C ATOM 658 CD2 LEU A 42 75.838 29.227 2.993 1.00 0.00 C ATOM 0 H LEU A 42 78.475 32.932 1.816 1.00 0.00 H new ATOM 0 HA LEU A 42 77.843 30.857 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.868 30.539 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 42 77.453 31.186 3.064 1.00 0.00 H new ATOM 0 HG LEU A 42 77.103 28.767 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.737 27.302 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 42 79.121 28.250 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 42 78.300 28.722 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 42 75.448 28.213 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 42 75.921 29.669 3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 42 75.161 29.826 2.385 1.00 0.00 H new ATOM 670 N VAL A 43 75.203 32.095 1.645 1.00 0.00 N ATOM 671 CA VAL A 43 73.749 32.190 1.593 1.00 0.00 C ATOM 672 C VAL A 43 73.278 32.650 0.218 1.00 0.00 C ATOM 673 O VAL A 43 72.294 32.138 -0.315 1.00 0.00 O ATOM 674 CB VAL A 43 73.212 33.163 2.659 1.00 0.00 C ATOM 675 CG1 VAL A 43 71.698 33.273 2.567 1.00 0.00 C ATOM 676 CG2 VAL A 43 73.638 32.717 4.050 1.00 0.00 C ATOM 0 H VAL A 43 75.633 32.624 2.403 1.00 0.00 H new ATOM 0 HA VAL A 43 73.359 31.192 1.793 1.00 0.00 H new ATOM 0 HB VAL A 43 73.636 34.149 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 43 71.337 33.965 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 43 71.419 33.641 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 43 71.251 32.292 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 43 73.250 33.416 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 43 73.243 31.721 4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 43 74.726 32.694 4.108 1.00 0.00 H new ATOM 686 N GLU A 44 73.988 33.619 -0.352 1.00 0.00 N ATOM 687 CA GLU A 44 73.641 34.147 -1.666 1.00 0.00 C ATOM 688 C GLU A 44 73.806 33.079 -2.743 1.00 0.00 C ATOM 689 O GLU A 44 73.067 33.056 -3.727 1.00 0.00 O ATOM 690 CB GLU A 44 74.512 35.361 -1.998 1.00 0.00 C ATOM 691 CG GLU A 44 73.985 36.190 -3.157 1.00 0.00 C ATOM 692 CD GLU A 44 75.025 37.142 -3.715 1.00 0.00 C ATOM 693 OE1 GLU A 44 75.981 37.471 -2.981 1.00 0.00 O ATOM 694 OE2 GLU A 44 74.884 37.557 -4.884 1.00 0.00 O ATOM 0 H GLU A 44 74.806 34.054 0.075 1.00 0.00 H new ATOM 0 HA GLU A 44 72.595 34.454 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 44 74.589 35.995 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 44 75.520 35.020 -2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 44 73.645 35.524 -3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 44 73.117 36.760 -2.826 1.00 0.00 H new ATOM 701 N ALA A 45 74.781 32.197 -2.549 1.00 0.00 N ATOM 702 CA ALA A 45 75.042 31.125 -3.502 1.00 0.00 C ATOM 703 C ALA A 45 73.867 30.155 -3.573 1.00 0.00 C ATOM 704 O ALA A 45 73.381 29.832 -4.657 1.00 0.00 O ATOM 705 CB ALA A 45 76.317 30.385 -3.127 1.00 0.00 C ATOM 0 H ALA A 45 75.403 32.204 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 45 75.170 31.572 -4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.500 29.587 -3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 45 77.157 31.080 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 45 76.209 29.957 -2.130 1.00 0.00 H new ATOM 711 N VAL A 46 73.416 29.693 -2.411 1.00 0.00 N ATOM 712 CA VAL A 46 72.297 28.760 -2.342 1.00 0.00 C ATOM 713 C VAL A 46 70.972 29.472 -2.587 1.00 0.00 C ATOM 714 O VAL A 46 70.042 28.897 -3.151 1.00 0.00 O ATOM 715 CB VAL A 46 72.242 28.051 -0.976 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.452 29.048 0.153 1.00 0.00 C ATOM 717 CG2 VAL A 46 70.920 27.316 -0.811 1.00 0.00 C ATOM 0 H VAL A 46 73.808 29.949 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 46 72.456 28.016 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 46 73.047 27.318 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.410 28.528 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 46 73.426 29.524 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.671 29.807 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 46 70.898 26.821 0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 46 70.097 28.028 -0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 46 70.816 26.572 -1.601 1.00 0.00 H new ATOM 727 N GLU A 47 70.893 30.728 -2.158 1.00 0.00 N ATOM 728 CA GLU A 47 69.680 31.519 -2.331 1.00 0.00 C ATOM 729 C GLU A 47 69.478 31.892 -3.796 1.00 0.00 C ATOM 730 O GLU A 47 68.361 31.843 -4.312 1.00 0.00 O ATOM 731 CB GLU A 47 69.744 32.786 -1.475 1.00 0.00 C ATOM 732 CG GLU A 47 68.662 33.800 -1.807 1.00 0.00 C ATOM 733 CD GLU A 47 67.303 33.159 -2.004 1.00 0.00 C ATOM 734 OE1 GLU A 47 67.024 32.140 -1.337 1.00 0.00 O ATOM 735 OE2 GLU A 47 66.517 33.676 -2.825 1.00 0.00 O ATOM 0 H GLU A 47 71.654 31.219 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 47 68.833 30.913 -2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 47 69.660 32.509 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 47 70.720 33.253 -1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 47 68.600 34.535 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 47 68.940 34.339 -2.713 1.00 0.00 H new ATOM 742 N HIS A 48 70.566 32.265 -4.462 1.00 0.00 N ATOM 743 CA HIS A 48 70.509 32.646 -5.869 1.00 0.00 C ATOM 744 C HIS A 48 69.909 31.525 -6.712 1.00 0.00 C ATOM 745 O HIS A 48 69.183 31.778 -7.674 1.00 0.00 O ATOM 746 CB HIS A 48 71.907 32.994 -6.382 1.00 0.00 C ATOM 747 CG HIS A 48 71.919 33.498 -7.792 1.00 0.00 C ATOM 748 ND1 HIS A 48 72.274 34.788 -8.127 1.00 0.00 N ATOM 749 CD2 HIS A 48 71.619 32.878 -8.957 1.00 0.00 C ATOM 750 CE1 HIS A 48 72.190 34.939 -9.436 1.00 0.00 C ATOM 751 NE2 HIS A 48 71.795 33.795 -9.964 1.00 0.00 N ATOM 0 H HIS A 48 71.498 32.312 -4.050 1.00 0.00 H new ATOM 0 HA HIS A 48 69.869 33.524 -5.956 1.00 0.00 H new ATOM 0 HB2 HIS A 48 72.346 33.750 -5.731 1.00 0.00 H new ATOM 0 HB3 HIS A 48 72.540 32.109 -6.316 1.00 0.00 H new ATOM 0 HD2 HIS A 48 71.300 31.853 -9.073 1.00 0.00 H new ATOM 0 HE1 HIS A 48 72.408 35.845 -9.982 1.00 0.00 H new ATOM 0 HE2 HIS A 48 71.645 33.621 -10.958 1.00 0.00 H new ATOM 759 N LEU A 49 70.217 30.286 -6.345 1.00 0.00 N ATOM 760 CA LEU A 49 69.709 29.125 -7.068 1.00 0.00 C ATOM 761 C LEU A 49 68.611 28.426 -6.273 1.00 0.00 C ATOM 762 O LEU A 49 68.102 27.384 -6.682 1.00 0.00 O ATOM 763 CB LEU A 49 70.846 28.144 -7.360 1.00 0.00 C ATOM 764 CG LEU A 49 72.140 28.757 -7.895 1.00 0.00 C ATOM 765 CD1 LEU A 49 73.349 28.026 -7.333 1.00 0.00 C ATOM 766 CD2 LEU A 49 72.156 28.726 -9.417 1.00 0.00 C ATOM 0 H LEU A 49 70.816 30.059 -5.551 1.00 0.00 H new ATOM 0 HA LEU A 49 69.285 29.472 -8.010 1.00 0.00 H new ATOM 0 HB2 LEU A 49 71.076 27.602 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 49 70.489 27.410 -8.083 1.00 0.00 H new ATOM 0 HG LEU A 49 72.187 29.797 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 49 74.261 28.476 -7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 49 73.346 28.100 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 49 73.308 26.977 -7.625 1.00 0.00 H new ATOM 0 HD21 LEU A 49 73.085 29.166 -9.780 1.00 0.00 H new ATOM 0 HD22 LEU A 49 72.085 27.694 -9.761 1.00 0.00 H new ATOM 0 HD23 LEU A 49 71.310 29.295 -9.801 1.00 0.00 H new ATOM 778 N GLY A 50 68.248 29.010 -5.135 1.00 0.00 N ATOM 779 CA GLY A 50 67.211 28.431 -4.301 1.00 0.00 C ATOM 780 C GLY A 50 67.441 26.957 -4.030 1.00 0.00 C ATOM 781 O GLY A 50 68.280 26.593 -3.206 1.00 0.00 O ATOM 0 H GLY A 50 68.654 29.874 -4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 50 67.168 28.969 -3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.244 28.562 -4.786 1.00 0.00 H new ATOM 785 N THR A 51 66.692 26.105 -4.724 1.00 0.00 N ATOM 786 CA THR A 51 66.816 24.663 -4.552 1.00 0.00 C ATOM 787 C THR A 51 67.165 23.981 -5.870 1.00 0.00 C ATOM 788 O THR A 51 66.496 23.037 -6.287 1.00 0.00 O ATOM 789 CB THR A 51 65.517 24.050 -3.998 1.00 0.00 C ATOM 790 OG1 THR A 51 64.441 24.265 -4.919 1.00 0.00 O ATOM 791 CG2 THR A 51 65.165 24.657 -2.648 1.00 0.00 C ATOM 0 H THR A 51 65.993 26.389 -5.410 1.00 0.00 H new ATOM 0 HA THR A 51 67.621 24.498 -3.836 1.00 0.00 H new ATOM 0 HB THR A 51 65.674 22.979 -3.867 1.00 0.00 H new ATOM 0 HG1 THR A 51 64.627 23.790 -5.756 1.00 0.00 H new ATOM 0 HG21 THR A 51 64.244 24.208 -2.276 1.00 0.00 H new ATOM 0 HG22 THR A 51 65.972 24.466 -1.941 1.00 0.00 H new ATOM 0 HG23 THR A 51 65.026 25.733 -2.758 1.00 0.00 H new ATOM 799 N GLY A 52 68.220 24.464 -6.520 1.00 0.00 N ATOM 800 CA GLY A 52 68.640 23.887 -7.784 1.00 0.00 C ATOM 801 C GLY A 52 69.813 22.940 -7.628 1.00 0.00 C ATOM 802 O GLY A 52 69.746 21.979 -6.862 1.00 0.00 O ATOM 0 H GLY A 52 68.791 25.244 -6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.802 23.352 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.912 24.687 -8.472 1.00 0.00 H new ATOM 806 N ARG A 53 70.891 23.212 -8.356 1.00 0.00 N ATOM 807 CA ARG A 53 72.084 22.375 -8.297 1.00 0.00 C ATOM 808 C ARG A 53 73.097 22.942 -7.306 1.00 0.00 C ATOM 809 O ARG A 53 73.291 24.155 -7.228 1.00 0.00 O ATOM 810 CB ARG A 53 72.720 22.258 -9.683 1.00 0.00 C ATOM 811 CG ARG A 53 71.790 21.672 -10.732 1.00 0.00 C ATOM 812 CD ARG A 53 70.922 22.746 -11.369 1.00 0.00 C ATOM 813 NE ARG A 53 70.508 22.384 -12.722 1.00 0.00 N ATOM 814 CZ ARG A 53 69.735 23.151 -13.484 1.00 0.00 C ATOM 815 NH1 ARG A 53 69.296 24.316 -13.028 1.00 0.00 N ATOM 816 NH2 ARG A 53 69.401 22.753 -14.704 1.00 0.00 N ATOM 0 H ARG A 53 70.963 24.005 -8.993 1.00 0.00 H new ATOM 0 HA ARG A 53 71.785 21.383 -7.958 1.00 0.00 H new ATOM 0 HB2 ARG A 53 73.045 23.246 -10.009 1.00 0.00 H new ATOM 0 HB3 ARG A 53 73.612 21.636 -9.613 1.00 0.00 H new ATOM 0 HG2 ARG A 53 72.377 21.173 -11.503 1.00 0.00 H new ATOM 0 HG3 ARG A 53 71.155 20.914 -10.274 1.00 0.00 H new ATOM 0 HD2 ARG A 53 70.039 22.912 -10.752 1.00 0.00 H new ATOM 0 HD3 ARG A 53 71.472 23.687 -11.398 1.00 0.00 H new ATOM 0 HE ARG A 53 70.830 21.494 -13.103 1.00 0.00 H new ATOM 0 HH11 ARG A 53 69.551 24.626 -12.090 1.00 0.00 H new ATOM 0 HH12 ARG A 53 68.703 24.903 -13.615 1.00 0.00 H new ATOM 0 HH21 ARG A 53 69.737 21.858 -15.058 1.00 0.00 H new ATOM 0 HH22 ARG A 53 68.808 23.342 -15.288 1.00 0.00 H new ATOM 830 N TRP A 54 73.738 22.057 -6.552 1.00 0.00 N ATOM 831 CA TRP A 54 74.731 22.469 -5.567 1.00 0.00 C ATOM 832 C TRP A 54 76.006 22.954 -6.248 1.00 0.00 C ATOM 833 O TRP A 54 76.711 23.817 -5.725 1.00 0.00 O ATOM 834 CB TRP A 54 75.052 21.311 -4.620 1.00 0.00 C ATOM 835 CG TRP A 54 74.934 19.965 -5.268 1.00 0.00 C ATOM 836 CD1 TRP A 54 73.882 19.100 -5.176 1.00 0.00 C ATOM 837 CD2 TRP A 54 75.906 19.329 -6.106 1.00 0.00 C ATOM 838 NE1 TRP A 54 74.140 17.965 -5.906 1.00 0.00 N ATOM 839 CE2 TRP A 54 75.375 18.081 -6.487 1.00 0.00 C ATOM 840 CE3 TRP A 54 77.171 19.693 -6.574 1.00 0.00 C ATOM 841 CZ2 TRP A 54 76.067 17.198 -7.311 1.00 0.00 C ATOM 842 CZ3 TRP A 54 77.857 18.816 -7.392 1.00 0.00 C ATOM 843 CH2 TRP A 54 77.304 17.580 -7.754 1.00 0.00 C ATOM 0 H TRP A 54 73.588 21.049 -6.604 1.00 0.00 H new ATOM 0 HA TRP A 54 74.313 23.295 -4.991 1.00 0.00 H new ATOM 0 HB2 TRP A 54 76.065 21.434 -4.237 1.00 0.00 H new ATOM 0 HB3 TRP A 54 74.379 21.354 -3.763 1.00 0.00 H new ATOM 0 HD1 TRP A 54 72.979 19.281 -4.612 1.00 0.00 H new ATOM 0 HE1 TRP A 54 73.513 17.166 -6.000 1.00 0.00 H new ATOM 0 HE3 TRP A 54 77.605 20.643 -6.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 75.643 16.245 -7.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 78.836 19.087 -7.759 1.00 0.00 H new ATOM 0 HH2 TRP A 54 77.865 16.916 -8.395 1.00 0.00 H new ATOM 854 N ARG A 55 76.297 22.393 -7.417 1.00 0.00 N ATOM 855 CA ARG A 55 77.489 22.768 -8.169 1.00 0.00 C ATOM 856 C ARG A 55 77.469 24.254 -8.512 1.00 0.00 C ATOM 857 O ARG A 55 78.479 24.946 -8.379 1.00 0.00 O ATOM 858 CB ARG A 55 77.591 21.938 -9.450 1.00 0.00 C ATOM 859 CG ARG A 55 76.354 22.020 -10.329 1.00 0.00 C ATOM 860 CD ARG A 55 76.537 23.023 -11.457 1.00 0.00 C ATOM 861 NE ARG A 55 75.263 23.576 -11.909 1.00 0.00 N ATOM 862 CZ ARG A 55 75.135 24.340 -12.989 1.00 0.00 C ATOM 863 NH1 ARG A 55 76.198 24.639 -13.723 1.00 0.00 N ATOM 864 NH2 ARG A 55 73.942 24.806 -13.336 1.00 0.00 N ATOM 0 H ARG A 55 75.724 21.677 -7.864 1.00 0.00 H new ATOM 0 HA ARG A 55 78.360 22.569 -7.545 1.00 0.00 H new ATOM 0 HB2 ARG A 55 78.456 22.274 -10.022 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.769 20.896 -9.184 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.137 21.037 -10.747 1.00 0.00 H new ATOM 0 HG3 ARG A 55 75.494 22.305 -9.723 1.00 0.00 H new ATOM 0 HD2 ARG A 55 77.185 23.833 -11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 55 77.040 22.539 -12.294 1.00 0.00 H new ATOM 0 HE ARG A 55 74.426 23.364 -11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 55 77.117 24.282 -13.459 1.00 0.00 H new ATOM 0 HH12 ARG A 55 76.097 25.225 -14.551 1.00 0.00 H new ATOM 0 HH21 ARG A 55 73.122 24.578 -12.774 1.00 0.00 H new ATOM 0 HH22 ARG A 55 73.845 25.392 -14.165 1.00 0.00 H new ATOM 878 N ASP A 56 76.314 24.738 -8.956 1.00 0.00 N ATOM 879 CA ASP A 56 76.163 26.143 -9.318 1.00 0.00 C ATOM 880 C ASP A 56 76.336 27.041 -8.097 1.00 0.00 C ATOM 881 O ASP A 56 76.744 28.196 -8.216 1.00 0.00 O ATOM 882 CB ASP A 56 74.793 26.383 -9.954 1.00 0.00 C ATOM 883 CG ASP A 56 74.737 27.679 -10.738 1.00 0.00 C ATOM 884 OD1 ASP A 56 75.591 28.557 -10.495 1.00 0.00 O ATOM 885 OD2 ASP A 56 73.840 27.815 -11.596 1.00 0.00 O ATOM 0 H ASP A 56 75.469 24.179 -9.074 1.00 0.00 H new ATOM 0 HA ASP A 56 76.939 26.392 -10.042 1.00 0.00 H new ATOM 0 HB2 ASP A 56 74.552 25.551 -10.616 1.00 0.00 H new ATOM 0 HB3 ASP A 56 74.032 26.401 -9.174 1.00 0.00 H new ATOM 890 N VAL A 57 76.021 26.502 -6.924 1.00 0.00 N ATOM 891 CA VAL A 57 76.141 27.255 -5.680 1.00 0.00 C ATOM 892 C VAL A 57 77.601 27.545 -5.353 1.00 0.00 C ATOM 893 O VAL A 57 77.973 28.687 -5.079 1.00 0.00 O ATOM 894 CB VAL A 57 75.503 26.496 -4.502 1.00 0.00 C ATOM 895 CG1 VAL A 57 75.714 27.256 -3.201 1.00 0.00 C ATOM 896 CG2 VAL A 57 74.022 26.262 -4.758 1.00 0.00 C ATOM 0 H VAL A 57 75.681 25.547 -6.808 1.00 0.00 H new ATOM 0 HA VAL A 57 75.611 28.196 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 57 75.990 25.525 -4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 57 75.257 26.705 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 57 76.782 27.367 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 57 75.255 28.242 -3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 57 73.588 25.724 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 57 73.517 27.221 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 57 73.898 25.673 -5.667 1.00 0.00 H new ATOM 906 N LYS A 58 78.427 26.505 -5.382 1.00 0.00 N ATOM 907 CA LYS A 58 79.849 26.647 -5.090 1.00 0.00 C ATOM 908 C LYS A 58 80.530 27.536 -6.125 1.00 0.00 C ATOM 909 O LYS A 58 81.436 28.303 -5.799 1.00 0.00 O ATOM 910 CB LYS A 58 80.523 25.273 -5.059 1.00 0.00 C ATOM 911 CG LYS A 58 81.988 25.324 -4.660 1.00 0.00 C ATOM 912 CD LYS A 58 82.279 24.404 -3.486 1.00 0.00 C ATOM 913 CE LYS A 58 83.649 23.756 -3.612 1.00 0.00 C ATOM 914 NZ LYS A 58 83.582 22.452 -4.328 1.00 0.00 N ATOM 0 H LYS A 58 78.136 25.553 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 58 79.949 27.117 -4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.987 24.630 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.439 24.814 -6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 58 82.608 25.038 -5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 58 82.259 26.347 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.228 24.971 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 58 81.513 23.630 -3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 58 84.321 24.429 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 58 84.071 23.604 -2.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 84.413 21.877 -4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 82.716 21.947 -4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 83.570 22.620 -5.354 1.00 0.00 H new ATOM 928 N PHE A 59 80.088 27.429 -7.374 1.00 0.00 N ATOM 929 CA PHE A 59 80.655 28.225 -8.456 1.00 0.00 C ATOM 930 C PHE A 59 80.172 29.670 -8.380 1.00 0.00 C ATOM 931 O PHE A 59 80.958 30.607 -8.521 1.00 0.00 O ATOM 932 CB PHE A 59 80.281 27.621 -9.812 1.00 0.00 C ATOM 933 CG PHE A 59 81.185 26.501 -10.239 1.00 0.00 C ATOM 934 CD1 PHE A 59 81.412 25.419 -9.403 1.00 0.00 C ATOM 935 CD2 PHE A 59 81.808 26.529 -11.476 1.00 0.00 C ATOM 936 CE1 PHE A 59 82.244 24.387 -9.794 1.00 0.00 C ATOM 937 CE2 PHE A 59 82.641 25.499 -11.872 1.00 0.00 C ATOM 938 CZ PHE A 59 82.859 24.426 -11.030 1.00 0.00 C ATOM 0 H PHE A 59 79.339 26.799 -7.662 1.00 0.00 H new ATOM 0 HA PHE A 59 81.740 28.217 -8.349 1.00 0.00 H new ATOM 0 HB2 PHE A 59 79.256 27.253 -9.766 1.00 0.00 H new ATOM 0 HB3 PHE A 59 80.305 28.405 -10.569 1.00 0.00 H new ATOM 0 HD1 PHE A 59 80.933 25.382 -8.435 1.00 0.00 H new ATOM 0 HD2 PHE A 59 81.641 27.365 -12.139 1.00 0.00 H new ATOM 0 HE1 PHE A 59 82.413 23.550 -9.133 1.00 0.00 H new ATOM 0 HE2 PHE A 59 83.121 25.533 -12.839 1.00 0.00 H new ATOM 0 HZ PHE A 59 83.509 23.620 -11.337 1.00 0.00 H new ATOM 948 N ARG A 60 78.874 29.843 -8.156 1.00 0.00 N ATOM 949 CA ARG A 60 78.285 31.173 -8.062 1.00 0.00 C ATOM 950 C ARG A 60 78.689 31.856 -6.759 1.00 0.00 C ATOM 951 O ARG A 60 78.735 33.083 -6.679 1.00 0.00 O ATOM 952 CB ARG A 60 76.760 31.086 -8.154 1.00 0.00 C ATOM 953 CG ARG A 60 76.059 32.413 -7.909 1.00 0.00 C ATOM 954 CD ARG A 60 74.897 32.614 -8.869 1.00 0.00 C ATOM 955 NE ARG A 60 75.330 32.591 -10.264 1.00 0.00 N ATOM 956 CZ ARG A 60 75.873 33.633 -10.883 1.00 0.00 C ATOM 957 NH1 ARG A 60 76.049 34.776 -10.233 1.00 0.00 N ATOM 958 NH2 ARG A 60 76.241 33.534 -12.154 1.00 0.00 N ATOM 0 H ARG A 60 78.210 29.078 -8.036 1.00 0.00 H new ATOM 0 HA ARG A 60 78.659 31.768 -8.895 1.00 0.00 H new ATOM 0 HB2 ARG A 60 76.484 30.716 -9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 60 76.402 30.356 -7.428 1.00 0.00 H new ATOM 0 HG2 ARG A 60 75.695 32.449 -6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 60 76.772 33.229 -8.023 1.00 0.00 H new ATOM 0 HD2 ARG A 60 74.154 31.833 -8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 60 74.411 33.566 -8.656 1.00 0.00 H new ATOM 0 HE ARG A 60 75.209 31.727 -10.792 1.00 0.00 H new ATOM 0 HH11 ARG A 60 75.767 34.856 -9.256 1.00 0.00 H new ATOM 0 HH12 ARG A 60 76.466 35.575 -10.710 1.00 0.00 H new ATOM 0 HH21 ARG A 60 76.107 32.657 -12.657 1.00 0.00 H new ATOM 0 HH22 ARG A 60 76.658 34.335 -12.628 1.00 0.00 H new ATOM 972 N ALA A 61 78.980 31.053 -5.741 1.00 0.00 N ATOM 973 CA ALA A 61 79.381 31.580 -4.443 1.00 0.00 C ATOM 974 C ALA A 61 80.584 32.508 -4.575 1.00 0.00 C ATOM 975 O ALA A 61 80.529 33.672 -4.177 1.00 0.00 O ATOM 976 CB ALA A 61 79.695 30.440 -3.485 1.00 0.00 C ATOM 0 H ALA A 61 78.945 30.035 -5.790 1.00 0.00 H new ATOM 0 HA ALA A 61 78.550 32.160 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.993 30.848 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.810 29.817 -3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 61 80.507 29.837 -3.891 1.00 0.00 H new ATOM 982 N PHE A 62 81.670 31.986 -5.136 1.00 0.00 N ATOM 983 CA PHE A 62 82.887 32.768 -5.318 1.00 0.00 C ATOM 984 C PHE A 62 83.765 32.161 -6.409 1.00 0.00 C ATOM 985 O PHE A 62 84.243 32.865 -7.298 1.00 0.00 O ATOM 986 CB PHE A 62 83.668 32.850 -4.005 1.00 0.00 C ATOM 987 CG PHE A 62 83.599 31.592 -3.187 1.00 0.00 C ATOM 988 CD1 PHE A 62 82.557 31.385 -2.297 1.00 0.00 C ATOM 989 CD2 PHE A 62 84.575 30.616 -3.309 1.00 0.00 C ATOM 990 CE1 PHE A 62 82.492 30.229 -1.543 1.00 0.00 C ATOM 991 CE2 PHE A 62 84.514 29.457 -2.558 1.00 0.00 C ATOM 992 CZ PHE A 62 83.470 29.263 -1.674 1.00 0.00 C ATOM 0 H PHE A 62 81.732 31.025 -5.472 1.00 0.00 H new ATOM 0 HA PHE A 62 82.600 33.774 -5.624 1.00 0.00 H new ATOM 0 HB2 PHE A 62 84.712 33.074 -4.226 1.00 0.00 H new ATOM 0 HB3 PHE A 62 83.282 33.680 -3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 62 81.787 32.135 -2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 62 85.393 30.762 -3.999 1.00 0.00 H new ATOM 0 HE1 PHE A 62 81.676 30.081 -0.851 1.00 0.00 H new ATOM 0 HE2 PHE A 62 85.281 28.704 -2.662 1.00 0.00 H new ATOM 0 HZ PHE A 62 83.419 28.358 -1.087 1.00 0.00 H new ATOM 1002 N GLU A 63 83.973 30.850 -6.332 1.00 0.00 N ATOM 1003 CA GLU A 63 84.794 30.149 -7.311 1.00 0.00 C ATOM 1004 C GLU A 63 86.119 30.874 -7.529 1.00 0.00 C ATOM 1005 O GLU A 63 86.666 30.870 -8.631 1.00 0.00 O ATOM 1006 CB GLU A 63 84.045 30.020 -8.639 1.00 0.00 C ATOM 1007 CG GLU A 63 84.677 29.027 -9.600 1.00 0.00 C ATOM 1008 CD GLU A 63 84.565 29.464 -11.048 1.00 0.00 C ATOM 1009 OE1 GLU A 63 83.698 30.313 -11.345 1.00 0.00 O ATOM 1010 OE2 GLU A 63 85.342 28.957 -11.883 1.00 0.00 O ATOM 0 H GLU A 63 83.584 30.253 -5.602 1.00 0.00 H new ATOM 0 HA GLU A 63 85.005 29.152 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 63 83.018 29.716 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.000 30.998 -9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 63 85.729 28.898 -9.344 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.198 28.055 -9.480 1.00 0.00 H new ATOM 1081 N ARG A 68 85.204 25.040 -0.097 1.00 0.00 N ATOM 1082 CA ARG A 68 85.065 23.859 0.747 1.00 0.00 C ATOM 1083 C ARG A 68 84.472 22.695 -0.041 1.00 0.00 C ATOM 1084 O ARG A 68 85.185 21.773 -0.439 1.00 0.00 O ATOM 1085 CB ARG A 68 84.183 24.172 1.957 1.00 0.00 C ATOM 1086 CG ARG A 68 84.969 24.478 3.221 1.00 0.00 C ATOM 1087 CD ARG A 68 85.030 23.272 4.145 1.00 0.00 C ATOM 1088 NE ARG A 68 84.830 23.643 5.543 1.00 0.00 N ATOM 1089 CZ ARG A 68 84.521 22.772 6.498 1.00 0.00 C ATOM 1090 NH1 ARG A 68 84.376 21.487 6.205 1.00 0.00 N ATOM 1091 NH2 ARG A 68 84.355 23.186 7.747 1.00 0.00 N ATOM 0 HA ARG A 68 86.058 23.572 1.094 1.00 0.00 H new ATOM 0 HB2 ARG A 68 83.546 25.024 1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 68 83.525 23.324 2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 68 85.980 24.786 2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 68 84.507 25.315 3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 68 84.269 22.550 3.849 1.00 0.00 H new ATOM 0 HD3 ARG A 68 85.996 22.780 4.035 1.00 0.00 H new ATOM 0 HE ARG A 68 84.933 24.624 5.801 1.00 0.00 H new ATOM 0 HH11 ARG A 68 84.502 21.165 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 68 84.139 20.820 6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 68 84.464 24.174 7.976 1.00 0.00 H new ATOM 0 HH22 ARG A 68 84.118 22.516 8.479 1.00 0.00 H new ATOM 1105 N THR A 69 83.162 22.743 -0.263 1.00 0.00 N ATOM 1106 CA THR A 69 82.473 21.693 -1.001 1.00 0.00 C ATOM 1107 C THR A 69 81.033 22.090 -1.307 1.00 0.00 C ATOM 1108 O THR A 69 80.390 22.786 -0.521 1.00 0.00 O ATOM 1109 CB THR A 69 82.472 20.365 -0.221 1.00 0.00 C ATOM 1110 OG1 THR A 69 83.119 20.540 1.045 1.00 0.00 O ATOM 1111 CG2 THR A 69 83.179 19.273 -1.010 1.00 0.00 C ATOM 0 H THR A 69 82.557 23.499 0.058 1.00 0.00 H new ATOM 0 HA THR A 69 83.016 21.556 -1.936 1.00 0.00 H new ATOM 0 HB THR A 69 81.437 20.064 -0.062 1.00 0.00 H new ATOM 0 HG1 THR A 69 83.113 19.692 1.536 1.00 0.00 H new ATOM 0 HG21 THR A 69 83.166 18.345 -0.439 1.00 0.00 H new ATOM 0 HG22 THR A 69 82.667 19.122 -1.961 1.00 0.00 H new ATOM 0 HG23 THR A 69 84.211 19.569 -1.197 1.00 0.00 H new ATOM 1119 N TYR A 70 80.532 21.643 -2.453 1.00 0.00 N ATOM 1120 CA TYR A 70 79.168 21.953 -2.864 1.00 0.00 C ATOM 1121 C TYR A 70 78.179 21.648 -1.742 1.00 0.00 C ATOM 1122 O TYR A 70 77.513 22.545 -1.224 1.00 0.00 O ATOM 1123 CB TYR A 70 78.796 21.158 -4.116 1.00 0.00 C ATOM 1124 CG TYR A 70 79.934 21.016 -5.102 1.00 0.00 C ATOM 1125 CD1 TYR A 70 80.282 22.062 -5.948 1.00 0.00 C ATOM 1126 CD2 TYR A 70 80.661 19.835 -5.188 1.00 0.00 C ATOM 1127 CE1 TYR A 70 81.320 21.936 -6.851 1.00 0.00 C ATOM 1128 CE2 TYR A 70 81.701 19.700 -6.087 1.00 0.00 C ATOM 1129 CZ TYR A 70 82.027 20.753 -6.916 1.00 0.00 C ATOM 1130 OH TYR A 70 83.062 20.624 -7.813 1.00 0.00 O ATOM 0 H TYR A 70 81.050 21.065 -3.114 1.00 0.00 H new ATOM 0 HA TYR A 70 79.117 23.018 -3.090 1.00 0.00 H new ATOM 0 HB2 TYR A 70 78.457 20.165 -3.819 1.00 0.00 H new ATOM 0 HB3 TYR A 70 77.956 21.646 -4.611 1.00 0.00 H new ATOM 0 HD1 TYR A 70 79.731 22.990 -5.899 1.00 0.00 H new ATOM 0 HD2 TYR A 70 80.409 19.008 -4.541 1.00 0.00 H new ATOM 0 HE1 TYR A 70 81.576 22.759 -7.502 1.00 0.00 H new ATOM 0 HE2 TYR A 70 82.256 18.775 -6.140 1.00 0.00 H new ATOM 0 HH TYR A 70 83.457 19.731 -7.731 1.00 0.00 H new ATOM 1140 N VAL A 71 78.088 20.374 -1.372 1.00 0.00 N ATOM 1141 CA VAL A 71 77.183 19.949 -0.311 1.00 0.00 C ATOM 1142 C VAL A 71 77.462 20.703 0.984 1.00 0.00 C ATOM 1143 O VAL A 71 76.562 20.914 1.797 1.00 0.00 O ATOM 1144 CB VAL A 71 77.299 18.436 -0.048 1.00 0.00 C ATOM 1145 CG1 VAL A 71 78.686 18.089 0.470 1.00 0.00 C ATOM 1146 CG2 VAL A 71 76.227 17.983 0.932 1.00 0.00 C ATOM 0 H VAL A 71 78.630 19.619 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 71 76.171 20.175 -0.648 1.00 0.00 H new ATOM 0 HB VAL A 71 77.146 17.908 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 71 78.749 17.016 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 71 79.433 18.377 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 71 78.871 18.625 1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 71 76.323 16.911 1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 71 76.347 18.517 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 71 75.242 18.196 0.517 1.00 0.00 H new ATOM 1156 N ASP A 72 78.714 21.105 1.170 1.00 0.00 N ATOM 1157 CA ASP A 72 79.112 21.837 2.366 1.00 0.00 C ATOM 1158 C ASP A 72 78.339 23.147 2.485 1.00 0.00 C ATOM 1159 O ASP A 72 77.840 23.491 3.558 1.00 0.00 O ATOM 1160 CB ASP A 72 80.615 22.119 2.341 1.00 0.00 C ATOM 1161 CG ASP A 72 81.183 22.355 3.727 1.00 0.00 C ATOM 1162 OD1 ASP A 72 80.966 21.501 4.611 1.00 0.00 O ATOM 1163 OD2 ASP A 72 81.846 23.395 3.927 1.00 0.00 O ATOM 0 H ASP A 72 79.471 20.936 0.508 1.00 0.00 H new ATOM 0 HA ASP A 72 78.880 21.219 3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 72 81.132 21.278 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 72 80.807 22.993 1.719 1.00 0.00 H new ATOM 1168 N LEU A 73 78.244 23.874 1.378 1.00 0.00 N ATOM 1169 CA LEU A 73 77.531 25.147 1.357 1.00 0.00 C ATOM 1170 C LEU A 73 76.030 24.934 1.522 1.00 0.00 C ATOM 1171 O LEU A 73 75.377 25.617 2.311 1.00 0.00 O ATOM 1172 CB LEU A 73 77.812 25.890 0.050 1.00 0.00 C ATOM 1173 CG LEU A 73 79.248 25.813 -0.471 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.463 26.817 -1.593 1.00 0.00 C ATOM 1175 CD2 LEU A 73 80.239 26.051 0.659 1.00 0.00 C ATOM 0 H LEU A 73 78.652 23.604 0.483 1.00 0.00 H new ATOM 0 HA LEU A 73 77.887 25.748 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.146 25.497 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 73 77.553 26.940 0.189 1.00 0.00 H new ATOM 0 HG LEU A 73 79.417 24.813 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 73 80.490 26.748 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.778 26.599 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.276 27.824 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 73 81.255 25.992 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.071 27.039 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 73 80.101 25.292 1.430 1.00 0.00 H new ATOM 1187 N LYS A 74 75.488 23.980 0.773 1.00 0.00 N ATOM 1188 CA LYS A 74 74.064 23.672 0.837 1.00 0.00 C ATOM 1189 C LYS A 74 73.663 23.241 2.244 1.00 0.00 C ATOM 1190 O LYS A 74 72.689 23.745 2.804 1.00 0.00 O ATOM 1191 CB LYS A 74 73.713 22.570 -0.165 1.00 0.00 C ATOM 1192 CG LYS A 74 72.233 22.501 -0.500 1.00 0.00 C ATOM 1193 CD LYS A 74 71.781 23.720 -1.285 1.00 0.00 C ATOM 1194 CE LYS A 74 70.320 23.612 -1.691 1.00 0.00 C ATOM 1195 NZ LYS A 74 70.069 22.419 -2.547 1.00 0.00 N ATOM 0 H LYS A 74 76.014 23.406 0.114 1.00 0.00 H new ATOM 0 HA LYS A 74 73.511 24.576 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 74 74.278 22.732 -1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 74 74.031 21.609 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 74 72.032 21.600 -1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 74 71.654 22.425 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 74 71.927 24.616 -0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 74 72.400 23.830 -2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 74 69.698 23.555 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 74 70.025 24.513 -2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 69.157 22.527 -3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 70.829 22.331 -3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 70.046 21.565 -1.954 1.00 0.00 H new ATOM 1209 N ASP A 75 74.421 22.308 2.810 1.00 0.00 N ATOM 1210 CA ASP A 75 74.146 21.811 4.153 1.00 0.00 C ATOM 1211 C ASP A 75 74.326 22.916 5.189 1.00 0.00 C ATOM 1212 O ASP A 75 73.577 22.999 6.162 1.00 0.00 O ATOM 1213 CB ASP A 75 75.063 20.632 4.482 1.00 0.00 C ATOM 1214 CG ASP A 75 74.408 19.629 5.410 1.00 0.00 C ATOM 1215 OD1 ASP A 75 73.591 20.049 6.257 1.00 0.00 O ATOM 1216 OD2 ASP A 75 74.710 18.424 5.290 1.00 0.00 O ATOM 0 H ASP A 75 75.230 21.881 2.360 1.00 0.00 H new ATOM 0 HA ASP A 75 73.110 21.474 4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 75 75.352 20.132 3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 75 75.978 21.005 4.943 1.00 0.00 H new ATOM 1221 N LYS A 76 75.327 23.763 4.974 1.00 0.00 N ATOM 1222 CA LYS A 76 75.608 24.864 5.888 1.00 0.00 C ATOM 1223 C LYS A 76 74.410 25.803 5.993 1.00 0.00 C ATOM 1224 O LYS A 76 74.064 26.264 7.081 1.00 0.00 O ATOM 1225 CB LYS A 76 76.839 25.642 5.419 1.00 0.00 C ATOM 1226 CG LYS A 76 77.263 26.744 6.375 1.00 0.00 C ATOM 1227 CD LYS A 76 78.773 26.910 6.401 1.00 0.00 C ATOM 1228 CE LYS A 76 79.277 27.209 7.805 1.00 0.00 C ATOM 1229 NZ LYS A 76 80.706 26.825 7.975 1.00 0.00 N ATOM 0 H LYS A 76 75.958 23.708 4.174 1.00 0.00 H new ATOM 0 HA LYS A 76 75.806 24.443 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 76 77.669 24.948 5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.632 26.080 4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.798 27.684 6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.904 26.514 7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 76 79.246 26.001 6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 76 79.063 27.718 5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 76 79.159 28.272 8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 76 78.668 26.672 8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 81.011 27.045 8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 80.815 25.806 7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 81.291 27.356 7.299 1.00 0.00 H new ATOM 1243 N TRP A 77 73.781 26.081 4.857 1.00 0.00 N ATOM 1244 CA TRP A 77 72.621 26.964 4.822 1.00 0.00 C ATOM 1245 C TRP A 77 71.432 26.330 5.535 1.00 0.00 C ATOM 1246 O TRP A 77 70.808 26.951 6.395 1.00 0.00 O ATOM 1247 CB TRP A 77 72.247 27.292 3.375 1.00 0.00 C ATOM 1248 CG TRP A 77 70.905 27.945 3.242 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.564 29.207 3.638 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.724 27.368 2.674 1.00 0.00 C ATOM 1251 NE1 TRP A 77 69.242 29.449 3.352 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.705 28.337 2.759 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.428 26.128 2.101 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.414 28.102 2.293 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 68.146 25.897 1.639 1.00 0.00 C ATOM 1256 CH2 TRP A 77 67.152 26.879 1.737 1.00 0.00 C ATOM 0 H TRP A 77 74.055 25.708 3.948 1.00 0.00 H new ATOM 0 HA TRP A 77 72.883 27.886 5.341 1.00 0.00 H new ATOM 0 HB2 TRP A 77 73.006 27.949 2.951 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.256 26.374 2.788 1.00 0.00 H new ATOM 0 HD1 TRP A 77 71.235 29.911 4.107 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.742 30.316 3.549 1.00 0.00 H new ATOM 0 HE3 TRP A 77 70.187 25.364 2.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.646 28.858 2.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 67.906 24.942 1.195 1.00 0.00 H new ATOM 0 HH2 TRP A 77 66.160 26.667 1.367 1.00 0.00 H new ATOM 1267 N LYS A 78 71.124 25.089 5.174 1.00 0.00 N ATOM 1268 CA LYS A 78 70.011 24.369 5.781 1.00 0.00 C ATOM 1269 C LYS A 78 70.150 24.332 7.300 1.00 0.00 C ATOM 1270 O LYS A 78 69.185 24.567 8.028 1.00 0.00 O ATOM 1271 CB LYS A 78 69.938 22.943 5.231 1.00 0.00 C ATOM 1272 CG LYS A 78 68.935 22.062 5.955 1.00 0.00 C ATOM 1273 CD LYS A 78 68.348 21.009 5.030 1.00 0.00 C ATOM 1274 CE LYS A 78 69.335 19.880 4.773 1.00 0.00 C ATOM 1275 NZ LYS A 78 68.718 18.770 3.995 1.00 0.00 N ATOM 0 H LYS A 78 71.630 24.561 4.463 1.00 0.00 H new ATOM 0 HA LYS A 78 69.091 24.896 5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.677 22.983 4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 78 70.925 22.486 5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.421 21.575 6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 78 68.133 22.679 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.437 20.604 5.470 1.00 0.00 H new ATOM 0 HD3 LYS A 78 68.067 21.471 4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 78 70.197 20.268 4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 78 69.703 19.496 5.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 69.423 18.021 3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 67.911 18.383 4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 68.389 19.131 3.076 1.00 0.00 H new ATOM 1289 N THR A 79 71.357 24.038 7.772 1.00 0.00 N ATOM 1290 CA THR A 79 71.622 23.972 9.204 1.00 0.00 C ATOM 1291 C THR A 79 71.417 25.330 9.865 1.00 0.00 C ATOM 1292 O THR A 79 70.696 25.446 10.857 1.00 0.00 O ATOM 1293 CB THR A 79 73.057 23.487 9.487 1.00 0.00 C ATOM 1294 OG1 THR A 79 73.363 22.355 8.666 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.223 23.116 10.953 1.00 0.00 C ATOM 0 H THR A 79 72.167 23.842 7.184 1.00 0.00 H new ATOM 0 HA THR A 79 70.915 23.257 9.624 1.00 0.00 H new ATOM 0 HB THR A 79 73.744 24.300 9.254 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.667 22.662 7.786 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.244 22.777 11.129 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.018 23.988 11.574 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.526 22.317 11.207 1.00 0.00 H new ATOM 1303 N LEU A 80 72.053 26.355 9.310 1.00 0.00 N ATOM 1304 CA LEU A 80 71.939 27.707 9.845 1.00 0.00 C ATOM 1305 C LEU A 80 70.483 28.160 9.876 1.00 0.00 C ATOM 1306 O LEU A 80 70.082 28.937 10.742 1.00 0.00 O ATOM 1307 CB LEU A 80 72.770 28.681 9.007 1.00 0.00 C ATOM 1308 CG LEU A 80 71.993 29.535 8.005 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.407 30.760 8.689 1.00 0.00 C ATOM 1310 CD2 LEU A 80 72.891 29.947 6.847 1.00 0.00 C ATOM 0 H LEU A 80 72.653 26.276 8.489 1.00 0.00 H new ATOM 0 HA LEU A 80 72.320 27.700 10.866 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.305 29.347 9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.522 28.110 8.462 1.00 0.00 H new ATOM 0 HG LEU A 80 71.172 28.938 7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.858 31.356 7.960 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.731 30.444 9.484 1.00 0.00 H new ATOM 0 HD13 LEU A 80 72.212 31.359 9.114 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.322 30.554 6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.733 30.526 7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.262 29.056 6.340 1.00 0.00 H new ATOM 1322 N VAL A 81 69.695 27.666 8.927 1.00 0.00 N ATOM 1323 CA VAL A 81 68.282 28.016 8.847 1.00 0.00 C ATOM 1324 C VAL A 81 67.503 27.431 10.020 1.00 0.00 C ATOM 1325 O VAL A 81 66.703 28.120 10.654 1.00 0.00 O ATOM 1326 CB VAL A 81 67.654 27.521 7.531 1.00 0.00 C ATOM 1327 CG1 VAL A 81 66.141 27.669 7.572 1.00 0.00 C ATOM 1328 CG2 VAL A 81 68.240 28.274 6.346 1.00 0.00 C ATOM 0 H VAL A 81 70.011 27.022 8.202 1.00 0.00 H new ATOM 0 HA VAL A 81 68.224 29.104 8.882 1.00 0.00 H new ATOM 0 HB VAL A 81 67.888 26.463 7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 81 65.715 27.314 6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 81 65.740 27.081 8.398 1.00 0.00 H new ATOM 0 HG13 VAL A 81 65.882 28.718 7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.785 27.912 5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 81 68.038 29.339 6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.317 28.111 6.308 1.00 0.00 H new ATOM 1338 N HIS A 82 67.744 26.155 10.305 1.00 0.00 N ATOM 1339 CA HIS A 82 67.066 25.476 11.404 1.00 0.00 C ATOM 1340 C HIS A 82 67.404 26.132 12.739 1.00 0.00 C ATOM 1341 O HIS A 82 66.540 26.289 13.603 1.00 0.00 O ATOM 1342 CB HIS A 82 67.455 23.998 11.436 1.00 0.00 C ATOM 1343 CG HIS A 82 66.457 23.131 12.140 1.00 0.00 C ATOM 1344 ND1 HIS A 82 65.537 23.622 13.042 1.00 0.00 N ATOM 1345 CD2 HIS A 82 66.237 21.797 12.068 1.00 0.00 C ATOM 1346 CE1 HIS A 82 64.795 22.628 13.496 1.00 0.00 C ATOM 1347 NE2 HIS A 82 65.199 21.510 12.921 1.00 0.00 N ATOM 0 H HIS A 82 68.403 25.571 9.791 1.00 0.00 H new ATOM 0 HA HIS A 82 65.991 25.558 11.241 1.00 0.00 H new ATOM 0 HB2 HIS A 82 67.577 23.641 10.413 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.423 23.896 11.927 1.00 0.00 H new ATOM 0 HD2 HIS A 82 66.777 21.091 11.455 1.00 0.00 H new ATOM 0 HE1 HIS A 82 63.994 22.715 14.215 1.00 0.00 H new ATOM 0 HE2 HIS A 82 64.804 20.584 13.084 1.00 0.00 H new ATOM 1355 N THR A 83 68.667 26.514 12.903 1.00 0.00 N ATOM 1356 CA THR A 83 69.120 27.151 14.133 1.00 0.00 C ATOM 1357 C THR A 83 68.597 28.579 14.238 1.00 0.00 C ATOM 1358 O THR A 83 68.386 29.094 15.335 1.00 0.00 O ATOM 1359 CB THR A 83 70.658 27.172 14.222 1.00 0.00 C ATOM 1360 OG1 THR A 83 71.167 25.834 14.213 1.00 0.00 O ATOM 1361 CG2 THR A 83 71.117 27.887 15.483 1.00 0.00 C ATOM 0 H THR A 83 69.395 26.393 12.198 1.00 0.00 H new ATOM 0 HA THR A 83 68.724 26.560 14.959 1.00 0.00 H new ATOM 0 HB THR A 83 71.043 27.712 13.357 1.00 0.00 H new ATOM 0 HG1 THR A 83 72.145 25.856 14.268 1.00 0.00 H new ATOM 0 HG21 THR A 83 72.206 27.889 15.524 1.00 0.00 H new ATOM 0 HG22 THR A 83 70.752 28.914 15.472 1.00 0.00 H new ATOM 0 HG23 THR A 83 70.722 27.371 16.358 1.00 0.00 H new ATOM 1369 N ALA A 84 68.388 29.213 13.089 1.00 0.00 N ATOM 1370 CA ALA A 84 67.886 30.581 13.052 1.00 0.00 C ATOM 1371 C ALA A 84 66.361 30.607 13.055 1.00 0.00 C ATOM 1372 O ALA A 84 65.749 31.673 13.126 1.00 0.00 O ATOM 1373 CB ALA A 84 68.425 31.308 11.828 1.00 0.00 C ATOM 0 H ALA A 84 68.559 28.801 12.172 1.00 0.00 H new ATOM 0 HA ALA A 84 68.234 31.093 13.949 1.00 0.00 H new ATOM 0 HB1 ALA A 84 68.042 32.328 11.813 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.514 31.330 11.868 1.00 0.00 H new ATOM 0 HB3 ALA A 84 68.105 30.787 10.925 1.00 0.00 H new ATOM 1379 N SER A 85 65.754 29.427 12.978 1.00 0.00 N ATOM 1380 CA SER A 85 64.300 29.316 12.968 1.00 0.00 C ATOM 1381 C SER A 85 63.787 28.785 14.303 1.00 0.00 C ATOM 1382 O SER A 85 62.696 29.144 14.748 1.00 0.00 O ATOM 1383 CB SER A 85 63.846 28.396 11.832 1.00 0.00 C ATOM 1384 OG SER A 85 63.975 27.033 12.197 1.00 0.00 O ATOM 0 H SER A 85 66.246 28.535 12.922 1.00 0.00 H new ATOM 0 HA SER A 85 63.885 30.311 12.809 1.00 0.00 H new ATOM 0 HB2 SER A 85 62.808 28.611 11.578 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.440 28.595 10.940 1.00 0.00 H new ATOM 0 HG SER A 85 64.843 26.891 12.629 1.00 0.00 H new ATOM 1390 N ILE A 86 64.581 27.928 14.936 1.00 0.00 N ATOM 1391 CA ILE A 86 64.208 27.349 16.221 1.00 0.00 C ATOM 1392 C ILE A 86 63.808 28.431 17.217 1.00 0.00 C ATOM 1393 O ILE A 86 63.977 29.622 16.957 1.00 0.00 O ATOM 1394 CB ILE A 86 65.358 26.517 16.818 1.00 0.00 C ATOM 1395 CG1 ILE A 86 66.666 27.310 16.777 1.00 0.00 C ATOM 1396 CG2 ILE A 86 65.506 25.202 16.067 1.00 0.00 C ATOM 1397 CD1 ILE A 86 67.721 26.787 17.726 1.00 0.00 C ATOM 0 H ILE A 86 65.486 27.619 14.580 1.00 0.00 H new ATOM 0 HA ILE A 86 63.355 26.696 16.037 1.00 0.00 H new ATOM 0 HB ILE A 86 65.123 26.294 17.859 1.00 0.00 H new ATOM 0 HG12 ILE A 86 67.061 27.291 15.761 1.00 0.00 H new ATOM 0 HG13 ILE A 86 66.457 28.352 17.018 1.00 0.00 H new ATOM 0 HG21 ILE A 86 66.323 24.625 16.501 1.00 0.00 H new ATOM 0 HG22 ILE A 86 64.579 24.633 16.143 1.00 0.00 H new ATOM 0 HG23 ILE A 86 65.722 25.404 15.018 1.00 0.00 H new ATOM 0 HD11 ILE A 86 68.620 27.397 17.643 1.00 0.00 H new ATOM 0 HD12 ILE A 86 67.345 26.832 18.748 1.00 0.00 H new ATOM 0 HD13 ILE A 86 67.959 25.754 17.472 1.00 0.00 H new ATOM 1409 N ALA A 87 63.279 28.009 18.361 1.00 0.00 N ATOM 1410 CA ALA A 87 62.858 28.942 19.399 1.00 0.00 C ATOM 1411 C ALA A 87 64.034 29.776 19.897 1.00 0.00 C ATOM 1412 O ALA A 87 65.197 29.390 19.773 1.00 0.00 O ATOM 1413 CB ALA A 87 62.215 28.191 20.555 1.00 0.00 C ATOM 0 H ALA A 87 63.132 27.027 18.592 1.00 0.00 H new ATOM 0 HA ALA A 87 62.122 29.620 18.967 1.00 0.00 H new ATOM 0 HB1 ALA A 87 61.906 28.900 21.323 1.00 0.00 H new ATOM 0 HB2 ALA A 87 61.344 27.644 20.194 1.00 0.00 H new ATOM 0 HB3 ALA A 87 62.934 27.490 20.978 1.00 0.00 H new ATOM 1419 N PRO A 88 63.728 30.947 20.473 1.00 0.00 N ATOM 1420 CA PRO A 88 64.747 31.860 21.001 1.00 0.00 C ATOM 1421 C PRO A 88 65.425 31.310 22.251 1.00 0.00 C ATOM 1422 O PRO A 88 66.595 31.593 22.508 1.00 0.00 O ATOM 1423 CB PRO A 88 63.951 33.124 21.337 1.00 0.00 C ATOM 1424 CG PRO A 88 62.561 32.644 21.575 1.00 0.00 C ATOM 1425 CD PRO A 88 62.364 31.471 20.655 1.00 0.00 C ATOM 0 HA PRO A 88 65.555 32.025 20.288 1.00 0.00 H new ATOM 0 HB2 PRO A 88 64.354 33.623 22.218 1.00 0.00 H new ATOM 0 HB3 PRO A 88 63.987 33.844 20.519 1.00 0.00 H new ATOM 0 HG2 PRO A 88 62.422 32.351 22.616 1.00 0.00 H new ATOM 0 HG3 PRO A 88 61.836 33.430 21.366 1.00 0.00 H new ATOM 0 HD2 PRO A 88 61.702 30.724 21.093 1.00 0.00 H new ATOM 0 HD3 PRO A 88 61.920 31.774 19.707 1.00 0.00 H new ATOM 1433 N GLN A 89 64.684 30.524 23.025 1.00 0.00 N ATOM 1434 CA GLN A 89 65.215 29.936 24.248 1.00 0.00 C ATOM 1435 C GLN A 89 66.506 29.172 23.969 1.00 0.00 C ATOM 1436 O GLN A 89 67.356 29.031 24.847 1.00 0.00 O ATOM 1437 CB GLN A 89 64.183 29.001 24.880 1.00 0.00 C ATOM 1438 CG GLN A 89 64.033 27.677 24.149 1.00 0.00 C ATOM 1439 CD GLN A 89 62.842 26.874 24.634 1.00 0.00 C ATOM 1440 OE1 GLN A 89 62.909 26.201 25.663 1.00 0.00 O ATOM 1441 NE2 GLN A 89 61.742 26.939 23.893 1.00 0.00 N ATOM 0 H GLN A 89 63.714 30.280 22.826 1.00 0.00 H new ATOM 0 HA GLN A 89 65.436 30.746 24.944 1.00 0.00 H new ATOM 0 HB2 GLN A 89 64.467 28.805 25.914 1.00 0.00 H new ATOM 0 HB3 GLN A 89 63.216 29.504 24.905 1.00 0.00 H new ATOM 0 HG2 GLN A 89 63.928 27.866 23.081 1.00 0.00 H new ATOM 0 HG3 GLN A 89 64.941 27.089 24.281 1.00 0.00 H new ATOM 0 HE21 GLN A 89 61.730 27.509 23.047 1.00 0.00 H new ATOM 0 HE22 GLN A 89 60.909 26.419 24.170 1.00 0.00 H new ATOM 1450 N GLN A 90 66.644 28.683 22.741 1.00 0.00 N ATOM 1451 CA GLN A 90 67.831 27.933 22.347 1.00 0.00 C ATOM 1452 C GLN A 90 68.890 28.860 21.760 1.00 0.00 C ATOM 1453 O GLN A 90 69.961 29.042 22.341 1.00 0.00 O ATOM 1454 CB GLN A 90 67.463 26.851 21.330 1.00 0.00 C ATOM 1455 CG GLN A 90 66.361 25.919 21.806 1.00 0.00 C ATOM 1456 CD GLN A 90 66.754 25.134 23.042 1.00 0.00 C ATOM 1457 OE1 GLN A 90 67.933 24.860 23.269 1.00 0.00 O ATOM 1458 NE2 GLN A 90 65.765 24.766 23.849 1.00 0.00 N ATOM 0 H GLN A 90 65.949 28.792 22.002 1.00 0.00 H new ATOM 0 HA GLN A 90 68.243 27.459 23.238 1.00 0.00 H new ATOM 0 HB2 GLN A 90 67.148 27.328 20.402 1.00 0.00 H new ATOM 0 HB3 GLN A 90 68.351 26.263 21.100 1.00 0.00 H new ATOM 0 HG2 GLN A 90 65.465 26.502 22.020 1.00 0.00 H new ATOM 0 HG3 GLN A 90 66.106 25.225 21.005 1.00 0.00 H new ATOM 0 HE21 GLN A 90 64.802 25.015 23.622 1.00 0.00 H new ATOM 0 HE22 GLN A 90 65.968 24.235 24.696 1.00 0.00 H new ATOM 1467 N ARG A 91 68.585 29.443 20.605 1.00 0.00 N ATOM 1468 CA ARG A 91 69.512 30.350 19.939 1.00 0.00 C ATOM 1469 C ARG A 91 70.910 29.742 19.866 1.00 0.00 C ATOM 1470 O ARG A 91 71.911 30.454 19.936 1.00 0.00 O ATOM 1471 CB ARG A 91 69.565 31.690 20.675 1.00 0.00 C ATOM 1472 CG ARG A 91 68.411 32.619 20.332 1.00 0.00 C ATOM 1473 CD ARG A 91 68.384 33.834 21.246 1.00 0.00 C ATOM 1474 NE ARG A 91 67.294 34.746 20.911 1.00 0.00 N ATOM 1475 CZ ARG A 91 67.246 36.012 21.312 1.00 0.00 C ATOM 1476 NH1 ARG A 91 68.221 36.512 22.058 1.00 0.00 N ATOM 1477 NH2 ARG A 91 66.220 36.780 20.966 1.00 0.00 N ATOM 0 H ARG A 91 67.703 29.303 20.111 1.00 0.00 H new ATOM 0 HA ARG A 91 69.153 30.515 18.923 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.565 31.505 21.749 1.00 0.00 H new ATOM 0 HB3 ARG A 91 70.505 32.189 20.438 1.00 0.00 H new ATOM 0 HG2 ARG A 91 68.500 32.944 19.295 1.00 0.00 H new ATOM 0 HG3 ARG A 91 67.469 32.077 20.417 1.00 0.00 H new ATOM 0 HD2 ARG A 91 68.278 33.507 22.280 1.00 0.00 H new ATOM 0 HD3 ARG A 91 69.334 34.363 21.174 1.00 0.00 H new ATOM 0 HE ARG A 91 66.528 34.392 20.338 1.00 0.00 H new ATOM 0 HH11 ARG A 91 69.011 35.925 22.326 1.00 0.00 H new ATOM 0 HH12 ARG A 91 68.181 37.484 22.364 1.00 0.00 H new ATOM 0 HH21 ARG A 91 65.468 36.398 20.392 1.00 0.00 H new ATOM 0 HH22 ARG A 91 66.184 37.752 21.274 1.00 0.00 H new ATOM 1491 N ARG A 92 70.969 28.422 19.726 1.00 0.00 N ATOM 1492 CA ARG A 92 72.243 27.718 19.645 1.00 0.00 C ATOM 1493 C ARG A 92 72.878 27.900 18.270 1.00 0.00 C ATOM 1494 O ARG A 92 72.982 26.952 17.492 1.00 0.00 O ATOM 1495 CB ARG A 92 72.047 26.229 19.935 1.00 0.00 C ATOM 1496 CG ARG A 92 73.283 25.551 20.503 1.00 0.00 C ATOM 1497 CD ARG A 92 72.940 24.683 21.704 1.00 0.00 C ATOM 1498 NE ARG A 92 72.667 25.481 22.896 1.00 0.00 N ATOM 1499 CZ ARG A 92 73.604 26.143 23.567 1.00 0.00 C ATOM 1500 NH1 ARG A 92 74.866 26.102 23.165 1.00 0.00 N ATOM 1501 NH2 ARG A 92 73.278 26.848 24.643 1.00 0.00 N ATOM 0 H ARG A 92 70.149 27.818 19.666 1.00 0.00 H new ATOM 0 HA ARG A 92 72.912 28.142 20.394 1.00 0.00 H new ATOM 0 HB2 ARG A 92 71.222 26.110 20.638 1.00 0.00 H new ATOM 0 HB3 ARG A 92 71.756 25.723 19.014 1.00 0.00 H new ATOM 0 HG2 ARG A 92 73.750 24.939 19.732 1.00 0.00 H new ATOM 0 HG3 ARG A 92 74.012 26.307 20.795 1.00 0.00 H new ATOM 0 HD2 ARG A 92 72.069 24.070 21.471 1.00 0.00 H new ATOM 0 HD3 ARG A 92 73.766 24.001 21.906 1.00 0.00 H new ATOM 0 HE ARG A 92 71.705 25.533 23.232 1.00 0.00 H new ATOM 0 HH11 ARG A 92 75.121 25.561 22.338 1.00 0.00 H new ATOM 0 HH12 ARG A 92 75.583 26.611 23.682 1.00 0.00 H new ATOM 0 HH21 ARG A 92 72.308 26.882 24.956 1.00 0.00 H new ATOM 0 HH22 ARG A 92 73.998 27.356 25.157 1.00 0.00 H new ATOM 1515 N GLY A 93 73.302 29.126 17.977 1.00 0.00 N ATOM 1516 CA GLY A 93 73.921 29.410 16.695 1.00 0.00 C ATOM 1517 C GLY A 93 75.165 30.265 16.829 1.00 0.00 C ATOM 1518 O GLY A 93 75.684 30.450 17.930 1.00 0.00 O ATOM 0 H GLY A 93 73.228 29.927 18.604 1.00 0.00 H new ATOM 0 HA2 GLY A 93 74.180 28.472 16.204 1.00 0.00 H new ATOM 0 HA3 GLY A 93 73.202 29.918 16.052 1.00 0.00 H new ATOM 1522 N ALA A 94 75.647 30.787 15.706 1.00 0.00 N ATOM 1523 CA ALA A 94 76.838 31.628 15.703 1.00 0.00 C ATOM 1524 C ALA A 94 76.472 33.098 15.874 1.00 0.00 C ATOM 1525 O ALA A 94 75.335 33.511 15.643 1.00 0.00 O ATOM 1526 CB ALA A 94 77.625 31.423 14.417 1.00 0.00 C ATOM 0 H ALA A 94 75.231 30.642 14.786 1.00 0.00 H new ATOM 0 HA ALA A 94 77.462 31.336 16.548 1.00 0.00 H new ATOM 0 HB1 ALA A 94 78.512 32.057 14.428 1.00 0.00 H new ATOM 0 HB2 ALA A 94 77.927 30.379 14.338 1.00 0.00 H new ATOM 0 HB3 ALA A 94 77.001 31.686 13.563 1.00 0.00 H new ATOM 1532 N PRO A 95 77.457 33.909 16.288 1.00 0.00 N ATOM 1533 CA PRO A 95 77.262 35.347 16.499 1.00 0.00 C ATOM 1534 C PRO A 95 77.057 36.102 15.191 1.00 0.00 C ATOM 1535 O PRO A 95 77.973 36.755 14.690 1.00 0.00 O ATOM 1536 CB PRO A 95 78.565 35.786 17.172 1.00 0.00 C ATOM 1537 CG PRO A 95 79.576 34.786 16.729 1.00 0.00 C ATOM 1538 CD PRO A 95 78.836 33.485 16.582 1.00 0.00 C ATOM 0 HA PRO A 95 76.370 35.555 17.090 1.00 0.00 H new ATOM 0 HB2 PRO A 95 78.847 36.794 16.869 1.00 0.00 H new ATOM 0 HB3 PRO A 95 78.466 35.795 18.257 1.00 0.00 H new ATOM 0 HG2 PRO A 95 80.032 35.084 15.785 1.00 0.00 H new ATOM 0 HG3 PRO A 95 80.382 34.696 17.458 1.00 0.00 H new ATOM 0 HD2 PRO A 95 79.249 32.876 15.778 1.00 0.00 H new ATOM 0 HD3 PRO A 95 78.888 32.888 17.493 1.00 0.00 H new ATOM 1546 N VAL A 96 75.850 36.010 14.642 1.00 0.00 N ATOM 1547 CA VAL A 96 75.525 36.687 13.392 1.00 0.00 C ATOM 1548 C VAL A 96 74.347 37.637 13.572 1.00 0.00 C ATOM 1549 O VAL A 96 73.522 37.479 14.472 1.00 0.00 O ATOM 1550 CB VAL A 96 75.190 35.677 12.278 1.00 0.00 C ATOM 1551 CG1 VAL A 96 76.461 35.053 11.723 1.00 0.00 C ATOM 1552 CG2 VAL A 96 74.243 34.606 12.798 1.00 0.00 C ATOM 0 H VAL A 96 75.081 35.473 15.043 1.00 0.00 H new ATOM 0 HA VAL A 96 76.407 37.258 13.102 1.00 0.00 H new ATOM 0 HB VAL A 96 74.691 36.208 11.467 1.00 0.00 H new ATOM 0 HG11 VAL A 96 76.204 34.342 10.937 1.00 0.00 H new ATOM 0 HG12 VAL A 96 77.100 35.834 11.311 1.00 0.00 H new ATOM 0 HG13 VAL A 96 76.991 34.535 12.522 1.00 0.00 H new ATOM 0 HG21 VAL A 96 74.017 33.901 11.998 1.00 0.00 H new ATOM 0 HG22 VAL A 96 74.713 34.076 13.627 1.00 0.00 H new ATOM 0 HG23 VAL A 96 73.320 35.072 13.142 1.00 0.00 H new ATOM 1562 N PRO A 97 74.265 38.650 12.697 1.00 0.00 N ATOM 1563 CA PRO A 97 73.191 39.647 12.738 1.00 0.00 C ATOM 1564 C PRO A 97 71.841 39.061 12.337 1.00 0.00 C ATOM 1565 O PRO A 97 71.772 38.130 11.535 1.00 0.00 O ATOM 1566 CB PRO A 97 73.642 40.697 11.719 1.00 0.00 C ATOM 1567 CG PRO A 97 74.526 39.955 10.777 1.00 0.00 C ATOM 1568 CD PRO A 97 75.214 38.900 11.599 1.00 0.00 C ATOM 0 HA PRO A 97 73.042 40.044 13.742 1.00 0.00 H new ATOM 0 HB2 PRO A 97 72.790 41.136 11.200 1.00 0.00 H new ATOM 0 HB3 PRO A 97 74.177 41.514 12.203 1.00 0.00 H new ATOM 0 HG2 PRO A 97 73.947 39.505 9.971 1.00 0.00 H new ATOM 0 HG3 PRO A 97 75.252 40.624 10.314 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.403 37.997 11.018 1.00 0.00 H new ATOM 0 HD3 PRO A 97 76.178 39.246 11.972 1.00 0.00 H new ATOM 1576 N GLN A 98 70.771 39.613 12.900 1.00 0.00 N ATOM 1577 CA GLN A 98 69.423 39.144 12.600 1.00 0.00 C ATOM 1578 C GLN A 98 69.160 39.169 11.098 1.00 0.00 C ATOM 1579 O GLN A 98 68.402 38.351 10.578 1.00 0.00 O ATOM 1580 CB GLN A 98 68.388 40.005 13.325 1.00 0.00 C ATOM 1581 CG GLN A 98 68.085 39.531 14.738 1.00 0.00 C ATOM 1582 CD GLN A 98 67.009 40.358 15.413 1.00 0.00 C ATOM 1583 OE1 GLN A 98 65.863 39.925 15.537 1.00 0.00 O ATOM 1584 NE2 GLN A 98 67.373 41.556 15.855 1.00 0.00 N ATOM 0 H GLN A 98 70.811 40.385 13.566 1.00 0.00 H new ATOM 0 HA GLN A 98 69.337 38.115 12.948 1.00 0.00 H new ATOM 0 HB2 GLN A 98 68.747 41.034 13.365 1.00 0.00 H new ATOM 0 HB3 GLN A 98 67.464 40.012 12.747 1.00 0.00 H new ATOM 0 HG2 GLN A 98 67.770 38.488 14.708 1.00 0.00 H new ATOM 0 HG3 GLN A 98 68.997 39.572 15.334 1.00 0.00 H new ATOM 0 HE21 GLN A 98 68.334 41.875 15.731 1.00 0.00 H new ATOM 0 HE22 GLN A 98 66.692 42.157 16.319 1.00 0.00 H new ATOM 1593 N GLU A 99 69.791 40.114 10.407 1.00 0.00 N ATOM 1594 CA GLU A 99 69.622 40.245 8.964 1.00 0.00 C ATOM 1595 C GLU A 99 69.928 38.927 8.259 1.00 0.00 C ATOM 1596 O GLU A 99 69.247 38.548 7.305 1.00 0.00 O ATOM 1597 CB GLU A 99 70.531 41.349 8.421 1.00 0.00 C ATOM 1598 CG GLU A 99 72.011 41.081 8.637 1.00 0.00 C ATOM 1599 CD GLU A 99 72.796 42.345 8.932 1.00 0.00 C ATOM 1600 OE1 GLU A 99 72.403 43.086 9.857 1.00 0.00 O ATOM 1601 OE2 GLU A 99 73.804 42.592 8.238 1.00 0.00 O ATOM 0 H GLU A 99 70.423 40.799 10.822 1.00 0.00 H new ATOM 0 HA GLU A 99 68.583 40.510 8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 99 70.344 41.469 7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 99 70.268 42.293 8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 99 72.133 40.381 9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 99 72.423 40.601 7.749 1.00 0.00 H new ATOM 1608 N LEU A 100 70.956 38.233 8.734 1.00 0.00 N ATOM 1609 CA LEU A 100 71.353 36.957 8.149 1.00 0.00 C ATOM 1610 C LEU A 100 70.273 35.901 8.361 1.00 0.00 C ATOM 1611 O LEU A 100 70.001 35.089 7.476 1.00 0.00 O ATOM 1612 CB LEU A 100 72.673 36.482 8.760 1.00 0.00 C ATOM 1613 CG LEU A 100 73.927 36.726 7.919 1.00 0.00 C ATOM 1614 CD1 LEU A 100 73.794 36.063 6.557 1.00 0.00 C ATOM 1615 CD2 LEU A 100 74.185 38.218 7.765 1.00 0.00 C ATOM 0 H LEU A 100 71.530 38.532 9.522 1.00 0.00 H new ATOM 0 HA LEU A 100 71.487 37.103 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.803 36.976 9.723 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.595 35.413 8.958 1.00 0.00 H new ATOM 0 HG LEU A 100 74.778 36.282 8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 100 74.696 36.248 5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 100 73.659 34.989 6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 100 72.932 36.476 6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 100 75.081 38.372 7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 100 73.333 38.686 7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 100 74.326 38.666 8.748 1.00 0.00 H new ATOM 1627 N LEU A 101 69.659 35.919 9.539 1.00 0.00 N ATOM 1628 CA LEU A 101 68.606 34.964 9.868 1.00 0.00 C ATOM 1629 C LEU A 101 67.301 35.330 9.169 1.00 0.00 C ATOM 1630 O LEU A 101 66.464 34.468 8.902 1.00 0.00 O ATOM 1631 CB LEU A 101 68.391 34.913 11.381 1.00 0.00 C ATOM 1632 CG LEU A 101 69.601 34.497 12.218 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.587 33.705 11.374 1.00 0.00 C ATOM 1634 CD2 LEU A 101 70.276 35.719 12.824 1.00 0.00 C ATOM 0 H LEU A 101 69.872 36.584 10.282 1.00 0.00 H new ATOM 0 HA LEU A 101 68.920 33.980 9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 101 68.065 35.898 11.715 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.575 34.220 11.589 1.00 0.00 H new ATOM 0 HG LEU A 101 69.254 33.858 13.030 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.442 33.418 11.987 1.00 0.00 H new ATOM 0 HD12 LEU A 101 70.099 32.810 10.989 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.928 34.319 10.541 1.00 0.00 H new ATOM 0 HD21 LEU A 101 71.135 35.404 13.416 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.609 36.384 12.027 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.568 36.246 13.464 1.00 0.00 H new ATOM 1646 N ASP A 102 67.135 36.615 8.873 1.00 0.00 N ATOM 1647 CA ASP A 102 65.934 37.096 8.201 1.00 0.00 C ATOM 1648 C ASP A 102 65.960 36.739 6.718 1.00 0.00 C ATOM 1649 O ASP A 102 64.925 36.440 6.123 1.00 0.00 O ATOM 1650 CB ASP A 102 65.799 38.610 8.372 1.00 0.00 C ATOM 1651 CG ASP A 102 64.392 39.101 8.096 1.00 0.00 C ATOM 1652 OD1 ASP A 102 64.048 39.277 6.909 1.00 0.00 O ATOM 1653 OD2 ASP A 102 63.634 39.310 9.067 1.00 0.00 O ATOM 0 H ASP A 102 67.817 37.342 9.088 1.00 0.00 H new ATOM 0 HA ASP A 102 65.073 36.609 8.658 1.00 0.00 H new ATOM 0 HB2 ASP A 102 66.084 38.885 9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 102 66.494 39.112 7.699 1.00 0.00 H new ATOM 1658 N ARG A 103 67.150 36.775 6.127 1.00 0.00 N ATOM 1659 CA ARG A 103 67.312 36.459 4.713 1.00 0.00 C ATOM 1660 C ARG A 103 67.237 34.952 4.482 1.00 0.00 C ATOM 1661 O ARG A 103 66.602 34.490 3.534 1.00 0.00 O ATOM 1662 CB ARG A 103 68.646 37.000 4.197 1.00 0.00 C ATOM 1663 CG ARG A 103 69.851 36.488 4.969 1.00 0.00 C ATOM 1664 CD ARG A 103 71.145 37.086 4.441 1.00 0.00 C ATOM 1665 NE ARG A 103 71.400 38.414 4.994 1.00 0.00 N ATOM 1666 CZ ARG A 103 72.206 39.304 4.426 1.00 0.00 C ATOM 1667 NH1 ARG A 103 72.833 39.010 3.295 1.00 0.00 N ATOM 1668 NH2 ARG A 103 72.387 40.492 4.990 1.00 0.00 N ATOM 0 H ARG A 103 68.017 37.020 6.606 1.00 0.00 H new ATOM 0 HA ARG A 103 66.499 36.935 4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 103 68.756 36.729 3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.630 38.089 4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 103 69.739 36.734 6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 103 69.895 35.401 4.898 1.00 0.00 H new ATOM 0 HD2 ARG A 103 71.976 36.425 4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 103 71.098 37.149 3.354 1.00 0.00 H new ATOM 0 HE ARG A 103 70.934 38.672 5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 103 72.697 38.098 2.859 1.00 0.00 H new ATOM 0 HH12 ARG A 103 73.451 39.696 2.861 1.00 0.00 H new ATOM 0 HH21 ARG A 103 71.907 40.722 5.860 1.00 0.00 H new ATOM 0 HH22 ARG A 103 73.006 41.175 4.553 1.00 0.00 H new ATOM 1682 N VAL A 104 67.891 34.191 5.354 1.00 0.00 N ATOM 1683 CA VAL A 104 67.899 32.738 5.244 1.00 0.00 C ATOM 1684 C VAL A 104 66.518 32.158 5.528 1.00 0.00 C ATOM 1685 O VAL A 104 66.083 31.212 4.869 1.00 0.00 O ATOM 1686 CB VAL A 104 68.917 32.108 6.214 1.00 0.00 C ATOM 1687 CG1 VAL A 104 70.313 32.654 5.953 1.00 0.00 C ATOM 1688 CG2 VAL A 104 68.501 32.353 7.656 1.00 0.00 C ATOM 0 H VAL A 104 68.422 34.557 6.144 1.00 0.00 H new ATOM 0 HA VAL A 104 68.187 32.499 4.220 1.00 0.00 H new ATOM 0 HB VAL A 104 68.936 31.032 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 104 71.018 32.197 6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 104 70.609 32.421 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 104 70.313 33.735 6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 104 69.231 31.901 8.327 1.00 0.00 H new ATOM 0 HG22 VAL A 104 68.451 33.426 7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 104 67.522 31.908 7.833 1.00 0.00 H new ATOM 1698 N LEU A 105 65.833 32.730 6.511 1.00 0.00 N ATOM 1699 CA LEU A 105 64.498 32.271 6.881 1.00 0.00 C ATOM 1700 C LEU A 105 63.479 32.633 5.806 1.00 0.00 C ATOM 1701 O LEU A 105 62.738 31.777 5.326 1.00 0.00 O ATOM 1702 CB LEU A 105 64.082 32.881 8.221 1.00 0.00 C ATOM 1703 CG LEU A 105 64.703 32.250 9.468 1.00 0.00 C ATOM 1704 CD1 LEU A 105 64.312 33.031 10.713 1.00 0.00 C ATOM 1705 CD2 LEU A 105 64.280 30.793 9.596 1.00 0.00 C ATOM 0 H LEU A 105 66.179 33.512 7.067 1.00 0.00 H new ATOM 0 HA LEU A 105 64.527 31.185 6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.337 33.941 8.210 1.00 0.00 H new ATOM 0 HB3 LEU A 105 62.997 32.815 8.306 1.00 0.00 H new ATOM 0 HG LEU A 105 65.788 32.286 9.367 1.00 0.00 H new ATOM 0 HD11 LEU A 105 64.763 32.567 11.590 1.00 0.00 H new ATOM 0 HD12 LEU A 105 64.665 34.058 10.624 1.00 0.00 H new ATOM 0 HD13 LEU A 105 63.227 33.028 10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 105 64.731 30.360 10.489 1.00 0.00 H new ATOM 0 HD22 LEU A 105 63.194 30.735 9.674 1.00 0.00 H new ATOM 0 HD23 LEU A 105 64.611 30.239 8.717 1.00 0.00 H new ATOM 1717 N ALA A 106 63.450 33.908 5.431 1.00 0.00 N ATOM 1718 CA ALA A 106 62.526 34.383 4.409 1.00 0.00 C ATOM 1719 C ALA A 106 62.680 33.588 3.117 1.00 0.00 C ATOM 1720 O ALA A 106 61.692 33.201 2.493 1.00 0.00 O ATOM 1721 CB ALA A 106 62.744 35.866 4.148 1.00 0.00 C ATOM 0 H ALA A 106 64.056 34.630 5.820 1.00 0.00 H new ATOM 0 HA ALA A 106 61.510 34.236 4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 106 62.047 36.207 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.575 36.426 5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 106 63.766 36.029 3.806 1.00 0.00 H new ATOM 1727 N ALA A 107 63.926 33.348 2.720 1.00 0.00 N ATOM 1728 CA ALA A 107 64.209 32.598 1.503 1.00 0.00 C ATOM 1729 C ALA A 107 63.734 31.154 1.625 1.00 0.00 C ATOM 1730 O ALA A 107 63.121 30.614 0.704 1.00 0.00 O ATOM 1731 CB ALA A 107 65.698 32.641 1.191 1.00 0.00 C ATOM 0 H ALA A 107 64.755 33.662 3.224 1.00 0.00 H new ATOM 0 HA ALA A 107 63.663 33.065 0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 107 65.895 32.077 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 107 66.011 33.676 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.256 32.201 2.018 1.00 0.00 H new ATOM 1737 N GLN A 108 64.021 30.536 2.766 1.00 0.00 N ATOM 1738 CA GLN A 108 63.624 29.153 3.006 1.00 0.00 C ATOM 1739 C GLN A 108 62.126 28.972 2.784 1.00 0.00 C ATOM 1740 O GLN A 108 61.696 28.018 2.136 1.00 0.00 O ATOM 1741 CB GLN A 108 63.996 28.733 4.429 1.00 0.00 C ATOM 1742 CG GLN A 108 64.260 27.243 4.574 1.00 0.00 C ATOM 1743 CD GLN A 108 63.228 26.395 3.856 1.00 0.00 C ATOM 1744 OE1 GLN A 108 63.459 25.929 2.740 1.00 0.00 O ATOM 1745 NE2 GLN A 108 62.082 26.190 4.495 1.00 0.00 N ATOM 0 H GLN A 108 64.526 30.970 3.538 1.00 0.00 H new ATOM 0 HA GLN A 108 64.157 28.519 2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 108 64.884 29.283 4.741 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.190 29.018 5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 108 65.250 27.013 4.181 1.00 0.00 H new ATOM 0 HG3 GLN A 108 64.268 26.981 5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 108 61.934 26.596 5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 108 61.350 25.627 4.062 1.00 0.00 H new ATOM 1754 N ALA A 109 61.336 29.892 3.328 1.00 0.00 N ATOM 1755 CA ALA A 109 59.887 29.834 3.189 1.00 0.00 C ATOM 1756 C ALA A 109 59.454 30.236 1.783 1.00 0.00 C ATOM 1757 O ALA A 109 58.423 29.782 1.286 1.00 0.00 O ATOM 1758 CB ALA A 109 59.220 30.728 4.224 1.00 0.00 C ATOM 0 H ALA A 109 61.676 30.687 3.869 1.00 0.00 H new ATOM 0 HA ALA A 109 59.572 28.804 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.138 30.674 4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.495 30.394 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.549 31.757 4.082 1.00 0.00 H new ATOM 1764 N TYR A 110 60.247 31.091 1.147 1.00 0.00 N ATOM 1765 CA TYR A 110 59.944 31.557 -0.201 1.00 0.00 C ATOM 1766 C TYR A 110 60.088 30.425 -1.214 1.00 0.00 C ATOM 1767 O TYR A 110 59.252 30.262 -2.103 1.00 0.00 O ATOM 1768 CB TYR A 110 60.865 32.717 -0.582 1.00 0.00 C ATOM 1769 CG TYR A 110 60.295 33.616 -1.655 1.00 0.00 C ATOM 1770 CD1 TYR A 110 59.145 34.362 -1.425 1.00 0.00 C ATOM 1771 CD2 TYR A 110 60.905 33.720 -2.899 1.00 0.00 C ATOM 1772 CE1 TYR A 110 58.620 35.184 -2.403 1.00 0.00 C ATOM 1773 CE2 TYR A 110 60.388 34.541 -3.882 1.00 0.00 C ATOM 1774 CZ TYR A 110 59.245 35.271 -3.630 1.00 0.00 C ATOM 1775 OH TYR A 110 58.726 36.088 -4.607 1.00 0.00 O ATOM 0 H TYR A 110 61.105 31.476 1.543 1.00 0.00 H new ATOM 0 HA TYR A 110 58.911 31.903 -0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 110 61.072 33.313 0.307 1.00 0.00 H new ATOM 0 HB3 TYR A 110 61.818 32.315 -0.925 1.00 0.00 H new ATOM 0 HD1 TYR A 110 58.654 34.298 -0.465 1.00 0.00 H new ATOM 0 HD2 TYR A 110 61.799 33.149 -3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 110 57.725 35.756 -2.208 1.00 0.00 H new ATOM 0 HE2 TYR A 110 60.876 34.611 -4.843 1.00 0.00 H new ATOM 0 HH TYR A 110 59.286 36.035 -5.409 1.00 0.00 H new ATOM 1785 N TRP A 111 61.154 29.646 -1.073 1.00 0.00 N ATOM 1786 CA TRP A 111 61.408 28.528 -1.974 1.00 0.00 C ATOM 1787 C TRP A 111 60.554 27.321 -1.600 1.00 0.00 C ATOM 1788 O TRP A 111 60.355 26.416 -2.409 1.00 0.00 O ATOM 1789 CB TRP A 111 62.890 28.149 -1.944 1.00 0.00 C ATOM 1790 CG TRP A 111 63.773 29.151 -2.623 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.889 29.744 -2.106 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.613 29.678 -3.945 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.432 30.608 -3.026 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.669 30.585 -4.163 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.682 29.471 -4.966 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 64.815 31.282 -5.359 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 62.829 30.164 -6.152 1.00 0.00 C ATOM 1798 CH2 TRP A 111 63.889 31.060 -6.341 1.00 0.00 C ATOM 0 H TRP A 111 61.856 29.768 -0.343 1.00 0.00 H new ATOM 0 HA TRP A 111 61.140 28.840 -2.984 1.00 0.00 H new ATOM 0 HB2 TRP A 111 63.208 28.038 -0.907 1.00 0.00 H new ATOM 0 HB3 TRP A 111 63.019 27.178 -2.423 1.00 0.00 H new ATOM 0 HD1 TRP A 111 65.287 29.561 -1.119 1.00 0.00 H new ATOM 0 HE1 TRP A 111 66.268 31.175 -2.885 1.00 0.00 H new ATOM 0 HE3 TRP A 111 61.862 28.781 -4.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 65.631 31.974 -5.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 62.114 30.012 -6.947 1.00 0.00 H new ATOM 0 HH2 TRP A 111 63.977 31.586 -7.280 1.00 0.00 H new ATOM 1809 N SER A 112 60.052 27.316 -0.369 1.00 0.00 N ATOM 1810 CA SER A 112 59.223 26.218 0.113 1.00 0.00 C ATOM 1811 C SER A 112 57.835 26.267 -0.520 1.00 0.00 C ATOM 1812 O SER A 112 57.039 27.160 -0.229 1.00 0.00 O ATOM 1813 CB SER A 112 59.102 26.273 1.637 1.00 0.00 C ATOM 1814 OG SER A 112 58.492 25.098 2.143 1.00 0.00 O ATOM 0 H SER A 112 60.205 28.060 0.312 1.00 0.00 H new ATOM 0 HA SER A 112 59.702 25.281 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 112 60.091 26.392 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 112 58.516 27.145 1.927 1.00 0.00 H new ATOM 0 HG SER A 112 58.428 25.157 3.119 1.00 0.00 H new