USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=13 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 129:sc= 0.485 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -155:sc= -0.776 (180deg=-1.41) USER MOD Single : A 69 THR OG1 : rot 103:sc= 0.0121 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -119:sc=-0.000932 (180deg=-0.578) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0652) USER MOD Single : A 79 THR OG1 : rot 90:sc= 1.2 USER MOD Single : A 82 HIS : no HD1:sc= -0.022 X(o=-0.022,f=-0.057) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -46:sc= 0.426 USER MOD Single : A 89 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.025) USER MOD Single : A 90 GLN :FLIP amide:sc= -3.23! C(o=-4.4!,f=-3.2!) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 108 GLN : amide:sc= -1.59 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 80.045 29.791 9.627 1.00 0.00 N ATOM 527 CA PHE A 34 81.137 30.522 8.993 1.00 0.00 C ATOM 528 C PHE A 34 81.049 32.012 9.309 1.00 0.00 C ATOM 529 O PHE A 34 80.013 32.504 9.758 1.00 0.00 O ATOM 530 CB PHE A 34 81.111 30.307 7.479 1.00 0.00 C ATOM 531 CG PHE A 34 80.935 28.870 7.080 1.00 0.00 C ATOM 532 CD1 PHE A 34 81.463 27.851 7.857 1.00 0.00 C ATOM 533 CD2 PHE A 34 80.242 28.537 5.927 1.00 0.00 C ATOM 534 CE1 PHE A 34 81.303 26.528 7.493 1.00 0.00 C ATOM 535 CE2 PHE A 34 80.078 27.215 5.558 1.00 0.00 C ATOM 536 CZ PHE A 34 80.610 26.209 6.341 1.00 0.00 C ATOM 0 HA PHE A 34 82.077 30.139 9.391 1.00 0.00 H new ATOM 0 HB2 PHE A 34 80.301 30.897 7.050 1.00 0.00 H new ATOM 0 HB3 PHE A 34 82.040 30.683 7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 34 82.006 28.094 8.758 1.00 0.00 H new ATOM 0 HD2 PHE A 34 79.825 29.319 5.310 1.00 0.00 H new ATOM 0 HE1 PHE A 34 81.719 25.744 8.108 1.00 0.00 H new ATOM 0 HE2 PHE A 34 79.534 26.969 4.658 1.00 0.00 H new ATOM 0 HZ PHE A 34 80.485 25.176 6.053 1.00 0.00 H new ATOM 546 N THR A 35 82.144 32.727 9.071 1.00 0.00 N ATOM 547 CA THR A 35 82.193 34.160 9.330 1.00 0.00 C ATOM 548 C THR A 35 81.010 34.875 8.689 1.00 0.00 C ATOM 549 O THR A 35 80.409 34.374 7.739 1.00 0.00 O ATOM 550 CB THR A 35 83.501 34.782 8.805 1.00 0.00 C ATOM 551 OG1 THR A 35 84.531 33.789 8.758 1.00 0.00 O ATOM 552 CG2 THR A 35 83.943 35.939 9.688 1.00 0.00 C ATOM 0 H THR A 35 83.010 32.336 8.699 1.00 0.00 H new ATOM 0 HA THR A 35 82.148 34.287 10.412 1.00 0.00 H new ATOM 0 HB THR A 35 83.319 35.163 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 35 84.949 33.793 7.872 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.869 36.362 9.297 1.00 0.00 H new ATOM 0 HG22 THR A 35 83.169 36.706 9.697 1.00 0.00 H new ATOM 0 HG23 THR A 35 84.109 35.579 10.703 1.00 0.00 H new ATOM 560 N VAL A 36 80.679 36.051 9.215 1.00 0.00 N ATOM 561 CA VAL A 36 79.568 36.837 8.692 1.00 0.00 C ATOM 562 C VAL A 36 79.665 36.986 7.178 1.00 0.00 C ATOM 563 O VAL A 36 78.664 36.882 6.468 1.00 0.00 O ATOM 564 CB VAL A 36 79.520 38.237 9.332 1.00 0.00 C ATOM 565 CG1 VAL A 36 80.876 38.918 9.228 1.00 0.00 C ATOM 566 CG2 VAL A 36 78.437 39.084 8.681 1.00 0.00 C ATOM 0 H VAL A 36 81.165 36.480 10.003 1.00 0.00 H new ATOM 0 HA VAL A 36 78.654 36.299 8.944 1.00 0.00 H new ATOM 0 HB VAL A 36 79.276 38.126 10.389 1.00 0.00 H new ATOM 0 HG11 VAL A 36 80.823 39.906 9.685 1.00 0.00 H new ATOM 0 HG12 VAL A 36 81.625 38.318 9.745 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.153 39.018 8.179 1.00 0.00 H new ATOM 0 HG21 VAL A 36 78.418 40.070 9.146 1.00 0.00 H new ATOM 0 HG22 VAL A 36 78.648 39.189 7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 36 77.469 38.601 8.813 1.00 0.00 H new ATOM 576 N ALA A 37 80.876 37.229 6.689 1.00 0.00 N ATOM 577 CA ALA A 37 81.105 37.390 5.258 1.00 0.00 C ATOM 578 C ALA A 37 80.991 36.055 4.531 1.00 0.00 C ATOM 579 O ALA A 37 80.356 35.962 3.481 1.00 0.00 O ATOM 580 CB ALA A 37 82.469 38.015 5.008 1.00 0.00 C ATOM 0 H ALA A 37 81.715 37.319 7.263 1.00 0.00 H new ATOM 0 HA ALA A 37 80.336 38.055 4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 37 82.626 38.129 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 37 82.515 38.993 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 37 83.245 37.372 5.422 1.00 0.00 H new ATOM 586 N GLU A 38 81.612 35.024 5.096 1.00 0.00 N ATOM 587 CA GLU A 38 81.581 33.694 4.498 1.00 0.00 C ATOM 588 C GLU A 38 80.145 33.199 4.346 1.00 0.00 C ATOM 589 O GLU A 38 79.740 32.757 3.271 1.00 0.00 O ATOM 590 CB GLU A 38 82.384 32.709 5.351 1.00 0.00 C ATOM 591 CG GLU A 38 83.867 32.688 5.022 1.00 0.00 C ATOM 592 CD GLU A 38 84.466 34.079 4.943 1.00 0.00 C ATOM 593 OE1 GLU A 38 84.358 34.711 3.871 1.00 0.00 O ATOM 594 OE2 GLU A 38 85.043 34.536 5.952 1.00 0.00 O ATOM 0 H GLU A 38 82.142 35.084 5.966 1.00 0.00 H new ATOM 0 HA GLU A 38 82.032 33.758 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 38 82.257 32.965 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.976 31.707 5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 38 84.396 32.111 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 38 84.017 32.177 4.071 1.00 0.00 H new ATOM 601 N VAL A 39 79.381 33.276 5.431 1.00 0.00 N ATOM 602 CA VAL A 39 77.991 32.837 5.419 1.00 0.00 C ATOM 603 C VAL A 39 77.135 33.746 4.545 1.00 0.00 C ATOM 604 O VAL A 39 76.156 33.304 3.945 1.00 0.00 O ATOM 605 CB VAL A 39 77.400 32.806 6.842 1.00 0.00 C ATOM 606 CG1 VAL A 39 75.882 32.884 6.791 1.00 0.00 C ATOM 607 CG2 VAL A 39 77.854 31.555 7.579 1.00 0.00 C ATOM 0 H VAL A 39 79.701 33.638 6.329 1.00 0.00 H new ATOM 0 HA VAL A 39 77.981 31.828 5.007 1.00 0.00 H new ATOM 0 HB VAL A 39 77.766 33.675 7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.482 32.861 7.805 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.582 33.811 6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 39 75.493 32.036 6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 39 77.428 31.549 8.582 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.518 30.671 7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 39 78.942 31.547 7.647 1.00 0.00 H new ATOM 617 N GLU A 40 77.511 35.020 4.479 1.00 0.00 N ATOM 618 CA GLU A 40 76.776 35.992 3.678 1.00 0.00 C ATOM 619 C GLU A 40 76.787 35.601 2.203 1.00 0.00 C ATOM 620 O GLU A 40 75.739 35.524 1.561 1.00 0.00 O ATOM 621 CB GLU A 40 77.379 37.388 3.851 1.00 0.00 C ATOM 622 CG GLU A 40 77.480 38.172 2.553 1.00 0.00 C ATOM 623 CD GLU A 40 77.687 39.656 2.784 1.00 0.00 C ATOM 624 OE1 GLU A 40 77.040 40.210 3.698 1.00 0.00 O ATOM 625 OE2 GLU A 40 78.494 40.265 2.050 1.00 0.00 O ATOM 0 H GLU A 40 78.319 35.402 4.970 1.00 0.00 H new ATOM 0 HA GLU A 40 75.743 36.004 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 40 76.772 37.951 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 40 78.373 37.294 4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.307 37.781 1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 40 76.571 38.022 1.970 1.00 0.00 H new ATOM 632 N LEU A 41 77.980 35.354 1.671 1.00 0.00 N ATOM 633 CA LEU A 41 78.129 34.971 0.271 1.00 0.00 C ATOM 634 C LEU A 41 77.463 33.626 0.001 1.00 0.00 C ATOM 635 O LEU A 41 76.719 33.473 -0.969 1.00 0.00 O ATOM 636 CB LEU A 41 79.610 34.905 -0.105 1.00 0.00 C ATOM 637 CG LEU A 41 80.478 36.068 0.378 1.00 0.00 C ATOM 638 CD1 LEU A 41 81.771 35.551 0.989 1.00 0.00 C ATOM 639 CD2 LEU A 41 80.772 37.025 -0.767 1.00 0.00 C ATOM 0 H LEU A 41 78.857 35.412 2.188 1.00 0.00 H new ATOM 0 HA LEU A 41 77.639 35.728 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.024 33.979 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 41 79.686 34.847 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 41 79.929 36.611 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.376 36.393 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.540 34.906 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.325 34.983 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 41 81.391 37.846 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 41 81.301 36.494 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 41 79.836 37.422 -1.159 1.00 0.00 H new ATOM 651 N LEU A 42 77.734 32.654 0.865 1.00 0.00 N ATOM 652 CA LEU A 42 77.159 31.321 0.721 1.00 0.00 C ATOM 653 C LEU A 42 75.638 31.389 0.642 1.00 0.00 C ATOM 654 O LEU A 42 75.030 30.863 -0.291 1.00 0.00 O ATOM 655 CB LEU A 42 77.581 30.433 1.894 1.00 0.00 C ATOM 656 CG LEU A 42 76.535 29.433 2.388 1.00 0.00 C ATOM 657 CD1 LEU A 42 76.128 28.488 1.268 1.00 0.00 C ATOM 658 CD2 LEU A 42 77.066 28.652 3.581 1.00 0.00 C ATOM 0 H LEU A 42 78.348 32.764 1.672 1.00 0.00 H new ATOM 0 HA LEU A 42 77.533 30.889 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.474 29.880 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 42 77.862 31.076 2.728 1.00 0.00 H new ATOM 0 HG LEU A 42 75.652 29.987 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 42 75.383 27.784 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.706 29.062 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.003 27.940 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.308 27.945 3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 42 77.965 28.109 3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.306 29.342 4.390 1.00 0.00 H new ATOM 670 N VAL A 43 75.028 32.043 1.625 1.00 0.00 N ATOM 671 CA VAL A 43 73.577 32.184 1.665 1.00 0.00 C ATOM 672 C VAL A 43 73.046 32.778 0.365 1.00 0.00 C ATOM 673 O VAL A 43 72.090 32.267 -0.216 1.00 0.00 O ATOM 674 CB VAL A 43 73.131 33.072 2.842 1.00 0.00 C ATOM 675 CG1 VAL A 43 71.655 33.416 2.722 1.00 0.00 C ATOM 676 CG2 VAL A 43 73.421 32.383 4.168 1.00 0.00 C ATOM 0 H VAL A 43 75.516 32.484 2.405 1.00 0.00 H new ATOM 0 HA VAL A 43 73.166 31.183 1.798 1.00 0.00 H new ATOM 0 HB VAL A 43 73.699 34.002 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 43 71.358 34.044 3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 43 71.481 33.952 1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 43 71.066 32.499 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 43 73.100 33.024 4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 43 72.880 31.438 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 43 74.491 32.193 4.253 1.00 0.00 H new ATOM 686 N GLU A 44 73.675 33.859 -0.084 1.00 0.00 N ATOM 687 CA GLU A 44 73.265 34.523 -1.316 1.00 0.00 C ATOM 688 C GLU A 44 73.483 33.614 -2.523 1.00 0.00 C ATOM 689 O GLU A 44 72.835 33.772 -3.557 1.00 0.00 O ATOM 690 CB GLU A 44 74.041 35.829 -1.501 1.00 0.00 C ATOM 691 CG GLU A 44 73.565 36.658 -2.682 1.00 0.00 C ATOM 692 CD GLU A 44 74.428 37.882 -2.921 1.00 0.00 C ATOM 693 OE1 GLU A 44 75.323 38.147 -2.091 1.00 0.00 O ATOM 694 OE2 GLU A 44 74.208 38.575 -3.936 1.00 0.00 O ATOM 0 H GLU A 44 74.469 34.293 0.386 1.00 0.00 H new ATOM 0 HA GLU A 44 72.201 34.748 -1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 44 73.955 36.424 -0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 44 75.098 35.598 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 44 73.563 36.038 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 44 72.536 36.972 -2.509 1.00 0.00 H new ATOM 701 N ALA A 45 74.400 32.663 -2.381 1.00 0.00 N ATOM 702 CA ALA A 45 74.702 31.727 -3.457 1.00 0.00 C ATOM 703 C ALA A 45 73.598 30.686 -3.606 1.00 0.00 C ATOM 704 O ALA A 45 73.100 30.448 -4.706 1.00 0.00 O ATOM 705 CB ALA A 45 76.041 31.049 -3.206 1.00 0.00 C ATOM 0 H ALA A 45 74.947 32.520 -1.532 1.00 0.00 H new ATOM 0 HA ALA A 45 74.761 32.290 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.254 30.353 -4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 45 76.827 31.803 -3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 45 76.002 30.505 -2.262 1.00 0.00 H new ATOM 711 N VAL A 46 73.221 30.067 -2.492 1.00 0.00 N ATOM 712 CA VAL A 46 72.176 29.050 -2.499 1.00 0.00 C ATOM 713 C VAL A 46 70.794 29.684 -2.618 1.00 0.00 C ATOM 714 O VAL A 46 69.878 29.095 -3.190 1.00 0.00 O ATOM 715 CB VAL A 46 72.225 28.187 -1.224 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.232 29.066 0.017 1.00 0.00 C ATOM 717 CG2 VAL A 46 71.053 27.217 -1.193 1.00 0.00 C ATOM 0 H VAL A 46 73.624 30.252 -1.573 1.00 0.00 H new ATOM 0 HA VAL A 46 72.357 28.415 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 46 73.148 27.607 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.267 28.438 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 46 73.106 29.716 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.328 29.674 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 46 71.103 26.615 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 46 70.117 27.776 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.098 26.564 -2.065 1.00 0.00 H new ATOM 727 N GLU A 47 70.653 30.889 -2.073 1.00 0.00 N ATOM 728 CA GLU A 47 69.382 31.602 -2.118 1.00 0.00 C ATOM 729 C GLU A 47 69.084 32.093 -3.532 1.00 0.00 C ATOM 730 O GLU A 47 67.947 32.019 -4.000 1.00 0.00 O ATOM 731 CB GLU A 47 69.401 32.786 -1.149 1.00 0.00 C ATOM 732 CG GLU A 47 68.086 33.544 -1.088 1.00 0.00 C ATOM 733 CD GLU A 47 67.988 34.629 -2.143 1.00 0.00 C ATOM 734 OE1 GLU A 47 69.021 35.268 -2.435 1.00 0.00 O ATOM 735 OE2 GLU A 47 66.879 34.839 -2.676 1.00 0.00 O ATOM 0 H GLU A 47 71.402 31.391 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 47 68.595 30.909 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 47 69.648 32.424 -0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 47 70.194 33.474 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 47 67.261 32.843 -1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 47 67.975 33.992 -0.100 1.00 0.00 H new ATOM 742 N HIS A 48 70.113 32.595 -4.207 1.00 0.00 N ATOM 743 CA HIS A 48 69.962 33.099 -5.568 1.00 0.00 C ATOM 744 C HIS A 48 69.379 32.026 -6.483 1.00 0.00 C ATOM 745 O HIS A 48 68.576 32.320 -7.369 1.00 0.00 O ATOM 746 CB HIS A 48 71.310 33.573 -6.111 1.00 0.00 C ATOM 747 CG HIS A 48 71.226 34.175 -7.480 1.00 0.00 C ATOM 748 ND1 HIS A 48 70.851 35.483 -7.705 1.00 0.00 N ATOM 749 CD2 HIS A 48 71.473 33.641 -8.699 1.00 0.00 C ATOM 750 CE1 HIS A 48 70.869 35.726 -9.003 1.00 0.00 C ATOM 751 NE2 HIS A 48 71.244 34.625 -9.629 1.00 0.00 N ATOM 0 H HIS A 48 71.060 32.664 -3.834 1.00 0.00 H new ATOM 0 HA HIS A 48 69.273 33.943 -5.543 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.731 34.308 -5.425 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.999 32.729 -6.136 1.00 0.00 H new ATOM 0 HD2 HIS A 48 71.791 32.629 -8.902 1.00 0.00 H new ATOM 0 HE1 HIS A 48 70.619 36.666 -9.473 1.00 0.00 H new ATOM 0 HE2 HIS A 48 71.347 34.522 -10.639 1.00 0.00 H new ATOM 759 N LEU A 49 69.790 30.782 -6.263 1.00 0.00 N ATOM 760 CA LEU A 49 69.310 29.665 -7.069 1.00 0.00 C ATOM 761 C LEU A 49 68.266 28.854 -6.308 1.00 0.00 C ATOM 762 O LEU A 49 67.762 27.848 -6.806 1.00 0.00 O ATOM 763 CB LEU A 49 70.477 28.763 -7.473 1.00 0.00 C ATOM 764 CG LEU A 49 71.724 29.475 -8.001 1.00 0.00 C ATOM 765 CD1 LEU A 49 72.983 28.751 -7.549 1.00 0.00 C ATOM 766 CD2 LEU A 49 71.679 29.574 -9.518 1.00 0.00 C ATOM 0 H LEU A 49 70.454 30.522 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 49 68.845 30.071 -7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 49 70.764 28.164 -6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 49 70.127 28.070 -8.238 1.00 0.00 H new ATOM 0 HG LEU A 49 71.744 30.485 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 49 73.860 29.271 -7.934 1.00 0.00 H new ATOM 0 HD12 LEU A 49 73.021 28.732 -6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 49 72.972 27.729 -7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 49 72.574 30.083 -9.876 1.00 0.00 H new ATOM 0 HD22 LEU A 49 71.635 28.573 -9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 49 70.796 30.137 -9.820 1.00 0.00 H new ATOM 778 N GLY A 50 67.944 29.300 -5.097 1.00 0.00 N ATOM 779 CA GLY A 50 66.961 28.605 -4.287 1.00 0.00 C ATOM 780 C GLY A 50 67.259 27.125 -4.156 1.00 0.00 C ATOM 781 O GLY A 50 68.138 26.726 -3.390 1.00 0.00 O ATOM 0 H GLY A 50 68.347 30.130 -4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 50 66.929 29.055 -3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 50 65.973 28.736 -4.729 1.00 0.00 H new ATOM 785 N THR A 51 66.525 26.306 -4.903 1.00 0.00 N ATOM 786 CA THR A 51 66.714 24.861 -4.864 1.00 0.00 C ATOM 787 C THR A 51 67.380 24.359 -6.140 1.00 0.00 C ATOM 788 O THR A 51 67.077 23.269 -6.622 1.00 0.00 O ATOM 789 CB THR A 51 65.375 24.125 -4.674 1.00 0.00 C ATOM 790 OG1 THR A 51 64.404 24.626 -5.599 1.00 0.00 O ATOM 791 CG2 THR A 51 64.861 24.293 -3.252 1.00 0.00 C ATOM 0 H THR A 51 65.794 26.619 -5.542 1.00 0.00 H new ATOM 0 HA THR A 51 67.361 24.650 -4.012 1.00 0.00 H new ATOM 0 HB THR A 51 65.541 23.064 -4.861 1.00 0.00 H new ATOM 0 HG1 THR A 51 63.556 24.151 -5.472 1.00 0.00 H new ATOM 0 HG21 THR A 51 63.914 23.764 -3.143 1.00 0.00 H new ATOM 0 HG22 THR A 51 65.589 23.883 -2.551 1.00 0.00 H new ATOM 0 HG23 THR A 51 64.712 25.352 -3.042 1.00 0.00 H new ATOM 799 N GLY A 52 68.291 25.162 -6.682 1.00 0.00 N ATOM 800 CA GLY A 52 68.986 24.781 -7.897 1.00 0.00 C ATOM 801 C GLY A 52 69.919 23.605 -7.687 1.00 0.00 C ATOM 802 O GLY A 52 69.478 22.506 -7.352 1.00 0.00 O ATOM 0 H GLY A 52 68.560 26.069 -6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.256 24.529 -8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.557 25.632 -8.267 1.00 0.00 H new ATOM 806 N ARG A 53 71.213 23.836 -7.885 1.00 0.00 N ATOM 807 CA ARG A 53 72.211 22.786 -7.718 1.00 0.00 C ATOM 808 C ARG A 53 73.375 23.273 -6.861 1.00 0.00 C ATOM 809 O ARG A 53 73.798 24.425 -6.969 1.00 0.00 O ATOM 810 CB ARG A 53 72.726 22.321 -9.081 1.00 0.00 C ATOM 811 CG ARG A 53 71.749 21.428 -9.830 1.00 0.00 C ATOM 812 CD ARG A 53 72.347 20.917 -11.131 1.00 0.00 C ATOM 813 NE ARG A 53 72.233 21.898 -12.208 1.00 0.00 N ATOM 814 CZ ARG A 53 71.083 22.216 -12.793 1.00 0.00 C ATOM 815 NH1 ARG A 53 69.956 21.636 -12.406 1.00 0.00 N ATOM 816 NH2 ARG A 53 71.060 23.118 -13.766 1.00 0.00 N ATOM 0 H ARG A 53 71.595 24.741 -8.161 1.00 0.00 H new ATOM 0 HA ARG A 53 71.736 21.946 -7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 53 72.949 23.195 -9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 53 73.663 21.783 -8.941 1.00 0.00 H new ATOM 0 HG2 ARG A 53 71.470 20.583 -9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 53 70.835 21.983 -10.042 1.00 0.00 H new ATOM 0 HD2 ARG A 53 73.397 20.670 -10.975 1.00 0.00 H new ATOM 0 HD3 ARG A 53 71.843 19.996 -11.425 1.00 0.00 H new ATOM 0 HE ARG A 53 73.082 22.364 -12.528 1.00 0.00 H new ATOM 0 HH11 ARG A 53 69.970 20.944 -11.657 1.00 0.00 H new ATOM 0 HH12 ARG A 53 69.075 21.882 -12.857 1.00 0.00 H new ATOM 0 HH21 ARG A 53 71.925 23.568 -14.065 1.00 0.00 H new ATOM 0 HH22 ARG A 53 70.177 23.362 -14.215 1.00 0.00 H new ATOM 830 N TRP A 54 73.888 22.391 -6.011 1.00 0.00 N ATOM 831 CA TRP A 54 75.003 22.732 -5.136 1.00 0.00 C ATOM 832 C TRP A 54 76.161 23.320 -5.934 1.00 0.00 C ATOM 833 O TRP A 54 76.866 24.211 -5.458 1.00 0.00 O ATOM 834 CB TRP A 54 75.473 21.495 -4.368 1.00 0.00 C ATOM 835 CG TRP A 54 75.393 20.232 -5.172 1.00 0.00 C ATOM 836 CD1 TRP A 54 74.364 19.335 -5.188 1.00 0.00 C ATOM 837 CD2 TRP A 54 76.384 19.726 -6.073 1.00 0.00 C ATOM 838 NE1 TRP A 54 74.655 18.301 -6.046 1.00 0.00 N ATOM 839 CE2 TRP A 54 75.888 18.519 -6.602 1.00 0.00 C ATOM 840 CE3 TRP A 54 77.640 20.177 -6.487 1.00 0.00 C ATOM 841 CZ2 TRP A 54 76.606 17.758 -7.521 1.00 0.00 C ATOM 842 CZ3 TRP A 54 78.352 19.421 -7.399 1.00 0.00 C ATOM 843 CH2 TRP A 54 77.834 18.223 -7.908 1.00 0.00 C ATOM 0 H TRP A 54 73.549 21.434 -5.909 1.00 0.00 H new ATOM 0 HA TRP A 54 74.658 23.483 -4.425 1.00 0.00 H new ATOM 0 HB2 TRP A 54 76.503 21.647 -4.044 1.00 0.00 H new ATOM 0 HB3 TRP A 54 74.869 21.383 -3.468 1.00 0.00 H new ATOM 0 HD1 TRP A 54 73.455 19.424 -4.611 1.00 0.00 H new ATOM 0 HE1 TRP A 54 74.051 17.502 -6.237 1.00 0.00 H new ATOM 0 HE3 TRP A 54 78.047 21.100 -6.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 76.208 16.834 -7.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 79.324 19.760 -7.725 1.00 0.00 H new ATOM 0 HH2 TRP A 54 78.415 17.655 -8.620 1.00 0.00 H new ATOM 854 N ARG A 55 76.353 22.818 -7.149 1.00 0.00 N ATOM 855 CA ARG A 55 77.427 23.293 -8.012 1.00 0.00 C ATOM 856 C ARG A 55 77.145 24.712 -8.500 1.00 0.00 C ATOM 857 O ARG A 55 78.067 25.479 -8.776 1.00 0.00 O ATOM 858 CB ARG A 55 77.602 22.356 -9.209 1.00 0.00 C ATOM 859 CG ARG A 55 76.571 22.570 -10.305 1.00 0.00 C ATOM 860 CD ARG A 55 76.377 21.314 -11.140 1.00 0.00 C ATOM 861 NE ARG A 55 77.627 20.859 -11.743 1.00 0.00 N ATOM 862 CZ ARG A 55 77.700 19.866 -12.623 1.00 0.00 C ATOM 863 NH1 ARG A 55 76.600 19.229 -13.000 1.00 0.00 N ATOM 864 NH2 ARG A 55 78.874 19.510 -13.127 1.00 0.00 N ATOM 0 H ARG A 55 75.778 22.082 -7.558 1.00 0.00 H new ATOM 0 HA ARG A 55 78.349 23.303 -7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 55 78.599 22.496 -9.627 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.544 21.324 -8.863 1.00 0.00 H new ATOM 0 HG2 ARG A 55 75.620 22.863 -9.860 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.887 23.391 -10.949 1.00 0.00 H new ATOM 0 HD2 ARG A 55 75.967 20.522 -10.513 1.00 0.00 H new ATOM 0 HD3 ARG A 55 75.646 21.510 -11.925 1.00 0.00 H new ATOM 0 HE ARG A 55 78.491 21.329 -11.474 1.00 0.00 H new ATOM 0 HH11 ARG A 55 75.696 19.501 -12.614 1.00 0.00 H new ATOM 0 HH12 ARG A 55 76.658 18.467 -13.676 1.00 0.00 H new ATOM 0 HH21 ARG A 55 79.722 19.999 -12.839 1.00 0.00 H new ATOM 0 HH22 ARG A 55 78.929 18.748 -13.802 1.00 0.00 H new ATOM 878 N ASP A 56 75.865 25.052 -8.603 1.00 0.00 N ATOM 879 CA ASP A 56 75.461 26.378 -9.057 1.00 0.00 C ATOM 880 C ASP A 56 75.735 27.427 -7.984 1.00 0.00 C ATOM 881 O ASP A 56 76.224 28.518 -8.278 1.00 0.00 O ATOM 882 CB ASP A 56 73.977 26.383 -9.426 1.00 0.00 C ATOM 883 CG ASP A 56 73.659 25.432 -10.562 1.00 0.00 C ATOM 884 OD1 ASP A 56 74.605 24.846 -11.128 1.00 0.00 O ATOM 885 OD2 ASP A 56 72.463 25.272 -10.885 1.00 0.00 O ATOM 0 H ASP A 56 75.090 24.428 -8.378 1.00 0.00 H new ATOM 0 HA ASP A 56 76.048 26.627 -9.941 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.387 26.109 -8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.679 27.393 -9.708 1.00 0.00 H new ATOM 890 N VAL A 57 75.417 27.089 -6.738 1.00 0.00 N ATOM 891 CA VAL A 57 75.629 28.001 -5.621 1.00 0.00 C ATOM 892 C VAL A 57 77.115 28.183 -5.334 1.00 0.00 C ATOM 893 O VAL A 57 77.546 29.242 -4.878 1.00 0.00 O ATOM 894 CB VAL A 57 74.929 27.497 -4.345 1.00 0.00 C ATOM 895 CG1 VAL A 57 73.682 26.701 -4.698 1.00 0.00 C ATOM 896 CG2 VAL A 57 75.886 26.662 -3.508 1.00 0.00 C ATOM 0 H VAL A 57 75.012 26.190 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 57 75.198 28.960 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 57 74.623 28.360 -3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 57 73.201 26.353 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 57 72.991 27.335 -5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 57 73.959 25.843 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 57 75.375 26.314 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 57 76.224 25.804 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 57 76.746 27.269 -3.224 1.00 0.00 H new ATOM 906 N LYS A 58 77.896 27.143 -5.606 1.00 0.00 N ATOM 907 CA LYS A 58 79.336 27.187 -5.380 1.00 0.00 C ATOM 908 C LYS A 58 80.026 28.051 -6.430 1.00 0.00 C ATOM 909 O LYS A 58 80.873 28.884 -6.105 1.00 0.00 O ATOM 910 CB LYS A 58 79.920 25.772 -5.404 1.00 0.00 C ATOM 911 CG LYS A 58 81.439 25.741 -5.410 1.00 0.00 C ATOM 912 CD LYS A 58 82.017 26.528 -4.246 1.00 0.00 C ATOM 913 CE LYS A 58 83.477 26.175 -4.005 1.00 0.00 C ATOM 914 NZ LYS A 58 84.337 26.552 -5.160 1.00 0.00 N ATOM 0 H LYS A 58 77.556 26.259 -5.984 1.00 0.00 H new ATOM 0 HA LYS A 58 79.511 27.630 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.557 25.223 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 58 79.551 25.250 -6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.783 24.708 -5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.809 26.154 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 58 81.928 27.596 -4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 58 81.439 26.324 -3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 58 83.830 26.684 -3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 58 83.566 25.104 -3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 85.188 25.954 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 83.809 26.416 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 84.616 27.550 -5.074 1.00 0.00 H new ATOM 928 N PHE A 59 79.657 27.849 -7.691 1.00 0.00 N ATOM 929 CA PHE A 59 80.240 28.611 -8.789 1.00 0.00 C ATOM 930 C PHE A 59 79.720 30.046 -8.792 1.00 0.00 C ATOM 931 O PHE A 59 80.491 30.997 -8.923 1.00 0.00 O ATOM 932 CB PHE A 59 79.925 27.940 -10.127 1.00 0.00 C ATOM 933 CG PHE A 59 81.045 28.034 -11.124 1.00 0.00 C ATOM 934 CD1 PHE A 59 81.349 29.241 -11.733 1.00 0.00 C ATOM 935 CD2 PHE A 59 81.795 26.916 -11.451 1.00 0.00 C ATOM 936 CE1 PHE A 59 82.379 29.332 -12.650 1.00 0.00 C ATOM 937 CE2 PHE A 59 82.826 27.000 -12.367 1.00 0.00 C ATOM 938 CZ PHE A 59 83.118 28.209 -12.968 1.00 0.00 C ATOM 0 H PHE A 59 78.957 27.164 -7.977 1.00 0.00 H new ATOM 0 HA PHE A 59 81.321 28.635 -8.648 1.00 0.00 H new ATOM 0 HB2 PHE A 59 79.693 26.890 -9.952 1.00 0.00 H new ATOM 0 HB3 PHE A 59 79.032 28.397 -10.552 1.00 0.00 H new ATOM 0 HD1 PHE A 59 80.774 30.122 -11.488 1.00 0.00 H new ATOM 0 HD2 PHE A 59 81.571 25.968 -10.985 1.00 0.00 H new ATOM 0 HE1 PHE A 59 82.606 30.279 -13.117 1.00 0.00 H new ATOM 0 HE2 PHE A 59 83.403 26.121 -12.613 1.00 0.00 H new ATOM 0 HZ PHE A 59 83.923 28.276 -13.685 1.00 0.00 H new ATOM 948 N ARG A 60 78.407 30.193 -8.648 1.00 0.00 N ATOM 949 CA ARG A 60 77.783 31.511 -8.636 1.00 0.00 C ATOM 950 C ARG A 60 78.432 32.410 -7.588 1.00 0.00 C ATOM 951 O ARG A 60 78.656 33.597 -7.827 1.00 0.00 O ATOM 952 CB ARG A 60 76.284 31.386 -8.358 1.00 0.00 C ATOM 953 CG ARG A 60 75.588 32.722 -8.158 1.00 0.00 C ATOM 954 CD ARG A 60 75.570 33.128 -6.693 1.00 0.00 C ATOM 955 NE ARG A 60 75.774 34.564 -6.520 1.00 0.00 N ATOM 956 CZ ARG A 60 76.227 35.112 -5.398 1.00 0.00 C ATOM 957 NH1 ARG A 60 76.522 34.348 -4.355 1.00 0.00 N ATOM 958 NH2 ARG A 60 76.385 36.427 -5.317 1.00 0.00 N ATOM 0 H ARG A 60 77.755 29.416 -8.538 1.00 0.00 H new ATOM 0 HA ARG A 60 77.927 31.963 -9.617 1.00 0.00 H new ATOM 0 HB2 ARG A 60 75.812 30.861 -9.188 1.00 0.00 H new ATOM 0 HB3 ARG A 60 76.138 30.773 -7.469 1.00 0.00 H new ATOM 0 HG2 ARG A 60 76.096 33.489 -8.743 1.00 0.00 H new ATOM 0 HG3 ARG A 60 74.566 32.660 -8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 60 74.617 32.841 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 60 76.348 32.584 -6.157 1.00 0.00 H new ATOM 0 HE ARG A 60 75.557 35.180 -7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 60 76.401 33.337 -4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 60 76.870 34.772 -3.495 1.00 0.00 H new ATOM 0 HH21 ARG A 60 76.159 37.018 -6.117 1.00 0.00 H new ATOM 0 HH22 ARG A 60 76.733 36.847 -4.455 1.00 0.00 H new ATOM 972 N ALA A 61 78.732 31.837 -6.427 1.00 0.00 N ATOM 973 CA ALA A 61 79.357 32.586 -5.344 1.00 0.00 C ATOM 974 C ALA A 61 80.823 32.874 -5.650 1.00 0.00 C ATOM 975 O ALA A 61 81.184 33.993 -6.014 1.00 0.00 O ATOM 976 CB ALA A 61 79.229 31.824 -4.033 1.00 0.00 C ATOM 0 H ALA A 61 78.552 30.856 -6.212 1.00 0.00 H new ATOM 0 HA ALA A 61 78.839 33.540 -5.249 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.700 32.395 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.175 31.675 -3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 61 79.721 30.856 -4.126 1.00 0.00 H new ATOM 982 N PHE A 62 81.665 31.857 -5.499 1.00 0.00 N ATOM 983 CA PHE A 62 83.093 32.002 -5.757 1.00 0.00 C ATOM 984 C PHE A 62 83.744 30.641 -5.989 1.00 0.00 C ATOM 985 O PHE A 62 83.988 29.890 -5.046 1.00 0.00 O ATOM 986 CB PHE A 62 83.775 32.713 -4.586 1.00 0.00 C ATOM 987 CG PHE A 62 84.300 34.076 -4.937 1.00 0.00 C ATOM 988 CD1 PHE A 62 85.402 34.216 -5.765 1.00 0.00 C ATOM 989 CD2 PHE A 62 83.691 35.216 -4.439 1.00 0.00 C ATOM 990 CE1 PHE A 62 85.888 35.469 -6.088 1.00 0.00 C ATOM 991 CE2 PHE A 62 84.172 36.472 -4.760 1.00 0.00 C ATOM 992 CZ PHE A 62 85.272 36.598 -5.586 1.00 0.00 C ATOM 0 H PHE A 62 81.383 30.924 -5.199 1.00 0.00 H new ATOM 0 HA PHE A 62 83.215 32.603 -6.658 1.00 0.00 H new ATOM 0 HB2 PHE A 62 83.065 32.806 -3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 62 84.599 32.096 -4.227 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.887 33.336 -6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 62 82.831 35.123 -3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 62 86.749 35.565 -6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 62 83.688 37.353 -4.365 1.00 0.00 H new ATOM 0 HZ PHE A 62 85.649 37.578 -5.839 1.00 0.00 H new ATOM 1002 N GLU A 63 84.022 30.333 -7.252 1.00 0.00 N ATOM 1003 CA GLU A 63 84.643 29.063 -7.609 1.00 0.00 C ATOM 1004 C GLU A 63 86.160 29.138 -7.458 1.00 0.00 C ATOM 1005 O GLU A 63 86.873 28.185 -7.769 1.00 0.00 O ATOM 1006 CB GLU A 63 84.280 28.677 -9.044 1.00 0.00 C ATOM 1007 CG GLU A 63 85.016 29.489 -10.097 1.00 0.00 C ATOM 1008 CD GLU A 63 86.299 28.824 -10.555 1.00 0.00 C ATOM 1009 OE1 GLU A 63 86.260 27.617 -10.875 1.00 0.00 O ATOM 1010 OE2 GLU A 63 87.342 29.509 -10.594 1.00 0.00 O ATOM 0 H GLU A 63 83.827 30.945 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 63 84.265 28.299 -6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.499 27.620 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 63 83.206 28.803 -9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 63 84.363 29.640 -10.956 1.00 0.00 H new ATOM 0 HG3 GLU A 63 85.246 30.475 -9.694 1.00 0.00 H new ATOM 1081 N ARG A 68 85.565 25.790 1.500 1.00 0.00 N ATOM 1082 CA ARG A 68 84.147 25.910 1.181 1.00 0.00 C ATOM 1083 C ARG A 68 83.798 25.093 -0.059 1.00 0.00 C ATOM 1084 O ARG A 68 84.088 25.498 -1.185 1.00 0.00 O ATOM 1085 CB ARG A 68 83.775 27.377 0.961 1.00 0.00 C ATOM 1086 CG ARG A 68 84.362 28.317 2.000 1.00 0.00 C ATOM 1087 CD ARG A 68 83.885 27.967 3.401 1.00 0.00 C ATOM 1088 NE ARG A 68 84.412 28.888 4.405 1.00 0.00 N ATOM 1089 CZ ARG A 68 84.476 28.604 5.701 1.00 0.00 C ATOM 1090 NH1 ARG A 68 84.049 27.431 6.148 1.00 0.00 N ATOM 1091 NH2 ARG A 68 84.969 29.494 6.553 1.00 0.00 N ATOM 0 HA ARG A 68 83.576 25.520 2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 68 84.115 27.685 -0.028 1.00 0.00 H new ATOM 0 HB3 ARG A 68 82.689 27.473 0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 68 85.450 28.269 1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 68 84.080 29.343 1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 68 82.796 27.986 3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 68 84.192 26.950 3.645 1.00 0.00 H new ATOM 0 HE ARG A 68 84.749 29.799 4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 68 83.670 26.744 5.496 1.00 0.00 H new ATOM 0 HH12 ARG A 68 84.099 27.216 7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 68 85.299 30.397 6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 68 85.018 29.275 7.548 1.00 0.00 H new ATOM 1105 N THR A 69 83.175 23.938 0.155 1.00 0.00 N ATOM 1106 CA THR A 69 82.787 23.063 -0.945 1.00 0.00 C ATOM 1107 C THR A 69 81.299 23.189 -1.249 1.00 0.00 C ATOM 1108 O THR A 69 80.498 23.490 -0.365 1.00 0.00 O ATOM 1109 CB THR A 69 83.113 21.591 -0.632 1.00 0.00 C ATOM 1110 OG1 THR A 69 84.361 21.502 0.064 1.00 0.00 O ATOM 1111 CG2 THR A 69 83.180 20.768 -1.910 1.00 0.00 C ATOM 0 H THR A 69 82.928 23.587 1.080 1.00 0.00 H new ATOM 0 HA THR A 69 83.360 23.377 -1.817 1.00 0.00 H new ATOM 0 HB THR A 69 82.317 21.192 -0.003 1.00 0.00 H new ATOM 0 HG1 THR A 69 84.194 21.342 1.016 1.00 0.00 H new ATOM 0 HG21 THR A 69 83.412 19.732 -1.664 1.00 0.00 H new ATOM 0 HG22 THR A 69 82.219 20.813 -2.423 1.00 0.00 H new ATOM 0 HG23 THR A 69 83.957 21.169 -2.560 1.00 0.00 H new ATOM 1119 N TYR A 70 80.936 22.956 -2.506 1.00 0.00 N ATOM 1120 CA TYR A 70 79.543 23.046 -2.927 1.00 0.00 C ATOM 1121 C TYR A 70 78.631 22.302 -1.956 1.00 0.00 C ATOM 1122 O TYR A 70 77.563 22.793 -1.589 1.00 0.00 O ATOM 1123 CB TYR A 70 79.377 22.476 -4.337 1.00 0.00 C ATOM 1124 CG TYR A 70 80.234 21.258 -4.603 1.00 0.00 C ATOM 1125 CD1 TYR A 70 79.814 19.992 -4.215 1.00 0.00 C ATOM 1126 CD2 TYR A 70 81.463 21.374 -5.241 1.00 0.00 C ATOM 1127 CE1 TYR A 70 80.594 18.877 -4.454 1.00 0.00 C ATOM 1128 CE2 TYR A 70 82.248 20.265 -5.486 1.00 0.00 C ATOM 1129 CZ TYR A 70 81.809 19.018 -5.091 1.00 0.00 C ATOM 1130 OH TYR A 70 82.589 17.910 -5.332 1.00 0.00 O ATOM 0 H TYR A 70 81.587 22.704 -3.250 1.00 0.00 H new ATOM 0 HA TYR A 70 79.259 24.098 -2.931 1.00 0.00 H new ATOM 0 HB2 TYR A 70 78.330 22.215 -4.493 1.00 0.00 H new ATOM 0 HB3 TYR A 70 79.624 23.250 -5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 70 78.862 19.877 -3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 70 81.810 22.349 -5.551 1.00 0.00 H new ATOM 0 HE1 TYR A 70 80.254 17.900 -4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 70 83.200 20.373 -5.984 1.00 0.00 H new ATOM 0 HH TYR A 70 83.412 18.182 -5.789 1.00 0.00 H new ATOM 1140 N VAL A 71 79.061 21.114 -1.543 1.00 0.00 N ATOM 1141 CA VAL A 71 78.286 20.302 -0.613 1.00 0.00 C ATOM 1142 C VAL A 71 78.190 20.971 0.753 1.00 0.00 C ATOM 1143 O VAL A 71 77.141 20.942 1.398 1.00 0.00 O ATOM 1144 CB VAL A 71 78.902 18.900 -0.443 1.00 0.00 C ATOM 1145 CG1 VAL A 71 80.344 19.004 0.028 1.00 0.00 C ATOM 1146 CG2 VAL A 71 78.074 18.068 0.525 1.00 0.00 C ATOM 0 H VAL A 71 79.942 20.693 -1.838 1.00 0.00 H new ATOM 0 HA VAL A 71 77.287 20.203 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 71 78.897 18.400 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 71 80.762 18.004 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 71 80.927 19.560 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 71 80.377 19.523 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 71 78.524 17.081 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 71 78.045 18.562 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 71 77.060 17.964 0.140 1.00 0.00 H new ATOM 1156 N ASP A 72 79.290 21.574 1.189 1.00 0.00 N ATOM 1157 CA ASP A 72 79.330 22.253 2.479 1.00 0.00 C ATOM 1158 C ASP A 72 78.449 23.498 2.465 1.00 0.00 C ATOM 1159 O ASP A 72 77.966 23.942 3.508 1.00 0.00 O ATOM 1160 CB ASP A 72 80.768 22.635 2.834 1.00 0.00 C ATOM 1161 CG ASP A 72 81.572 21.455 3.343 1.00 0.00 C ATOM 1162 OD1 ASP A 72 81.161 20.850 4.355 1.00 0.00 O ATOM 1163 OD2 ASP A 72 82.612 21.136 2.730 1.00 0.00 O ATOM 0 H ASP A 72 80.166 21.607 0.668 1.00 0.00 H new ATOM 0 HA ASP A 72 78.947 21.567 3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 72 81.258 23.052 1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 72 80.756 23.417 3.593 1.00 0.00 H new ATOM 1168 N LEU A 73 78.244 24.059 1.278 1.00 0.00 N ATOM 1169 CA LEU A 73 77.422 25.254 1.129 1.00 0.00 C ATOM 1170 C LEU A 73 75.945 24.927 1.326 1.00 0.00 C ATOM 1171 O LEU A 73 75.274 25.521 2.170 1.00 0.00 O ATOM 1172 CB LEU A 73 77.638 25.876 -0.252 1.00 0.00 C ATOM 1173 CG LEU A 73 79.028 26.457 -0.516 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.053 27.196 -1.845 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.444 27.382 0.619 1.00 0.00 C ATOM 0 H LEU A 73 78.636 23.705 0.405 1.00 0.00 H new ATOM 0 HA LEU A 73 77.722 25.969 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.434 25.116 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 73 76.902 26.668 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 73 79.741 25.634 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 73 80.050 27.603 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.799 26.506 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.328 28.010 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.435 27.786 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 73 78.729 28.200 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.466 26.823 1.554 1.00 0.00 H new ATOM 1187 N LYS A 74 75.445 23.977 0.543 1.00 0.00 N ATOM 1188 CA LYS A 74 74.049 23.567 0.633 1.00 0.00 C ATOM 1189 C LYS A 74 73.729 23.024 2.022 1.00 0.00 C ATOM 1190 O LYS A 74 72.696 23.353 2.605 1.00 0.00 O ATOM 1191 CB LYS A 74 73.738 22.507 -0.426 1.00 0.00 C ATOM 1192 CG LYS A 74 73.199 23.082 -1.724 1.00 0.00 C ATOM 1193 CD LYS A 74 71.763 23.555 -1.571 1.00 0.00 C ATOM 1194 CE LYS A 74 70.774 22.458 -1.931 1.00 0.00 C ATOM 1195 NZ LYS A 74 70.389 21.647 -0.742 1.00 0.00 N ATOM 0 H LYS A 74 75.987 23.476 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 74 73.427 24.444 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 74 74.645 21.941 -0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 74 73.011 21.803 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 74 73.826 23.915 -2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 74 73.252 22.326 -2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 74 71.592 23.877 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 74 71.594 24.422 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 74 69.882 22.903 -2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 74 71.212 21.808 -2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 70.666 20.656 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 70.872 22.017 0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 69.360 21.701 -0.604 1.00 0.00 H new ATOM 1209 N ASP A 75 74.622 22.192 2.546 1.00 0.00 N ATOM 1210 CA ASP A 75 74.437 21.605 3.868 1.00 0.00 C ATOM 1211 C ASP A 75 74.458 22.681 4.948 1.00 0.00 C ATOM 1212 O ASP A 75 73.698 22.621 5.915 1.00 0.00 O ATOM 1213 CB ASP A 75 75.524 20.565 4.145 1.00 0.00 C ATOM 1214 CG ASP A 75 75.170 19.651 5.301 1.00 0.00 C ATOM 1215 OD1 ASP A 75 75.474 20.011 6.457 1.00 0.00 O ATOM 1216 OD2 ASP A 75 74.588 18.574 5.049 1.00 0.00 O ATOM 0 H ASP A 75 75.481 21.909 2.075 1.00 0.00 H new ATOM 0 HA ASP A 75 73.463 21.115 3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 75 75.686 19.966 3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 75 76.463 21.074 4.363 1.00 0.00 H new ATOM 1221 N LYS A 76 75.334 23.666 4.778 1.00 0.00 N ATOM 1222 CA LYS A 76 75.455 24.757 5.738 1.00 0.00 C ATOM 1223 C LYS A 76 74.185 25.602 5.764 1.00 0.00 C ATOM 1224 O LYS A 76 73.709 25.990 6.830 1.00 0.00 O ATOM 1225 CB LYS A 76 76.658 25.637 5.392 1.00 0.00 C ATOM 1226 CG LYS A 76 76.810 26.844 6.300 1.00 0.00 C ATOM 1227 CD LYS A 76 77.291 26.443 7.685 1.00 0.00 C ATOM 1228 CE LYS A 76 76.126 26.153 8.617 1.00 0.00 C ATOM 1229 NZ LYS A 76 76.462 26.454 10.036 1.00 0.00 N ATOM 0 H LYS A 76 75.971 23.731 3.984 1.00 0.00 H new ATOM 0 HA LYS A 76 75.602 24.323 6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 76 77.565 25.035 5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.563 25.978 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 76 77.516 27.546 5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 76 75.854 27.362 6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 76 77.926 25.560 7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 76 77.903 27.241 8.104 1.00 0.00 H new ATOM 0 HE2 LYS A 76 75.263 26.746 8.315 1.00 0.00 H new ATOM 0 HE3 LYS A 76 75.840 25.105 8.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 75.642 26.243 10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 77.270 25.870 10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 76.710 27.460 10.128 1.00 0.00 H new ATOM 1243 N TRP A 77 73.642 25.882 4.585 1.00 0.00 N ATOM 1244 CA TRP A 77 72.426 26.680 4.473 1.00 0.00 C ATOM 1245 C TRP A 77 71.267 26.011 5.204 1.00 0.00 C ATOM 1246 O TRP A 77 70.570 26.646 5.996 1.00 0.00 O ATOM 1247 CB TRP A 77 72.063 26.892 3.002 1.00 0.00 C ATOM 1248 CG TRP A 77 70.694 27.468 2.805 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.280 28.728 3.133 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.559 26.806 2.237 1.00 0.00 C ATOM 1251 NE1 TRP A 77 68.956 28.888 2.803 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.491 27.724 2.251 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.342 25.527 1.717 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.226 27.401 1.765 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 68.086 25.209 1.235 1.00 0.00 C ATOM 1256 CH2 TRP A 77 67.042 26.143 1.262 1.00 0.00 C ATOM 0 H TRP A 77 74.024 25.568 3.693 1.00 0.00 H new ATOM 0 HA TRP A 77 72.613 27.649 4.936 1.00 0.00 H new ATOM 0 HB2 TRP A 77 72.798 27.556 2.546 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.127 25.938 2.478 1.00 0.00 H new ATOM 0 HD1 TRP A 77 70.902 29.486 3.585 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.408 29.736 2.946 1.00 0.00 H new ATOM 0 HE3 TRP A 77 70.141 24.801 1.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.419 28.119 1.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 67.906 24.224 0.831 1.00 0.00 H new ATOM 0 HH2 TRP A 77 66.072 25.864 0.878 1.00 0.00 H new ATOM 1267 N LYS A 78 71.066 24.726 4.934 1.00 0.00 N ATOM 1268 CA LYS A 78 69.992 23.969 5.568 1.00 0.00 C ATOM 1269 C LYS A 78 70.154 23.960 7.084 1.00 0.00 C ATOM 1270 O LYS A 78 69.188 24.153 7.824 1.00 0.00 O ATOM 1271 CB LYS A 78 69.971 22.534 5.038 1.00 0.00 C ATOM 1272 CG LYS A 78 68.988 21.632 5.765 1.00 0.00 C ATOM 1273 CD LYS A 78 68.379 20.602 4.829 1.00 0.00 C ATOM 1274 CE LYS A 78 67.610 19.537 5.596 1.00 0.00 C ATOM 1275 NZ LYS A 78 66.505 20.125 6.402 1.00 0.00 N ATOM 0 H LYS A 78 71.633 24.186 4.280 1.00 0.00 H new ATOM 0 HA LYS A 78 69.047 24.454 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.720 22.551 3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 78 70.971 22.110 5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.496 21.124 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 78 68.196 22.237 6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.711 21.098 4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 78 69.168 20.131 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 78 67.201 18.809 4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 78 68.293 18.999 6.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 65.932 19.361 6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 66.904 20.709 7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 65.906 20.716 5.791 1.00 0.00 H new ATOM 1289 N THR A 79 71.382 23.737 7.543 1.00 0.00 N ATOM 1290 CA THR A 79 71.670 23.704 8.971 1.00 0.00 C ATOM 1291 C THR A 79 71.453 25.072 9.608 1.00 0.00 C ATOM 1292 O THR A 79 70.737 25.199 10.602 1.00 0.00 O ATOM 1293 CB THR A 79 73.116 23.248 9.242 1.00 0.00 C ATOM 1294 OG1 THR A 79 73.426 22.102 8.442 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.311 22.914 10.713 1.00 0.00 C ATOM 0 H THR A 79 72.193 23.577 6.946 1.00 0.00 H new ATOM 0 HA THR A 79 70.981 22.986 9.416 1.00 0.00 H new ATOM 0 HB THR A 79 73.787 24.066 8.980 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.790 22.394 7.580 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.340 22.594 10.880 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.102 23.797 11.317 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.631 22.111 10.997 1.00 0.00 H new ATOM 1303 N LEU A 80 72.074 26.094 9.029 1.00 0.00 N ATOM 1304 CA LEU A 80 71.948 27.455 9.540 1.00 0.00 C ATOM 1305 C LEU A 80 70.489 27.899 9.550 1.00 0.00 C ATOM 1306 O LEU A 80 70.076 28.692 10.397 1.00 0.00 O ATOM 1307 CB LEU A 80 72.780 28.418 8.692 1.00 0.00 C ATOM 1308 CG LEU A 80 72.006 29.260 7.677 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.421 30.495 8.344 1.00 0.00 C ATOM 1310 CD2 LEU A 80 72.905 29.654 6.514 1.00 0.00 C ATOM 0 H LEU A 80 72.670 26.006 8.206 1.00 0.00 H new ATOM 0 HA LEU A 80 72.320 27.469 10.564 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.313 29.092 9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.533 27.840 8.156 1.00 0.00 H new ATOM 0 HG LEU A 80 71.184 28.660 7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.874 31.082 7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.743 30.191 9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 80 72.226 31.098 8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.337 30.253 5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.748 30.236 6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.275 28.756 6.019 1.00 0.00 H new ATOM 1322 N VAL A 81 69.711 27.382 8.604 1.00 0.00 N ATOM 1323 CA VAL A 81 68.297 27.723 8.506 1.00 0.00 C ATOM 1324 C VAL A 81 67.512 27.158 9.685 1.00 0.00 C ATOM 1325 O VAL A 81 66.703 27.855 10.298 1.00 0.00 O ATOM 1326 CB VAL A 81 67.682 27.198 7.195 1.00 0.00 C ATOM 1327 CG1 VAL A 81 66.169 27.105 7.314 1.00 0.00 C ATOM 1328 CG2 VAL A 81 68.080 28.088 6.027 1.00 0.00 C ATOM 0 H VAL A 81 70.036 26.725 7.895 1.00 0.00 H new ATOM 0 HA VAL A 81 68.233 28.811 8.518 1.00 0.00 H new ATOM 0 HB VAL A 81 68.069 26.196 7.008 1.00 0.00 H new ATOM 0 HG11 VAL A 81 65.753 26.732 6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 81 65.909 26.423 8.124 1.00 0.00 H new ATOM 0 HG13 VAL A 81 65.759 28.093 7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.637 27.703 5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.723 29.102 6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.166 28.097 5.930 1.00 0.00 H new ATOM 1338 N HIS A 82 67.757 25.889 9.997 1.00 0.00 N ATOM 1339 CA HIS A 82 67.074 25.229 11.104 1.00 0.00 C ATOM 1340 C HIS A 82 67.397 25.914 12.428 1.00 0.00 C ATOM 1341 O HIS A 82 66.521 26.104 13.272 1.00 0.00 O ATOM 1342 CB HIS A 82 67.471 23.754 11.169 1.00 0.00 C ATOM 1343 CG HIS A 82 66.668 22.960 12.154 1.00 0.00 C ATOM 1344 ND1 HIS A 82 65.346 23.231 12.439 1.00 0.00 N ATOM 1345 CD2 HIS A 82 67.006 21.897 12.920 1.00 0.00 C ATOM 1346 CE1 HIS A 82 64.907 22.370 13.339 1.00 0.00 C ATOM 1347 NE2 HIS A 82 65.895 21.549 13.647 1.00 0.00 N ATOM 0 H HIS A 82 68.423 25.298 9.499 1.00 0.00 H new ATOM 0 HA HIS A 82 66.000 25.301 10.931 1.00 0.00 H new ATOM 0 HB2 HIS A 82 67.357 23.312 10.179 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.527 23.682 11.431 1.00 0.00 H new ATOM 0 HD2 HIS A 82 67.971 21.412 12.953 1.00 0.00 H new ATOM 0 HE1 HIS A 82 63.910 22.342 13.753 1.00 0.00 H new ATOM 0 HE2 HIS A 82 65.841 20.781 14.316 1.00 0.00 H new ATOM 1355 N THR A 83 68.662 26.284 12.604 1.00 0.00 N ATOM 1356 CA THR A 83 69.102 26.946 13.826 1.00 0.00 C ATOM 1357 C THR A 83 68.611 28.388 13.877 1.00 0.00 C ATOM 1358 O THR A 83 68.382 28.937 14.954 1.00 0.00 O ATOM 1359 CB THR A 83 70.637 26.934 13.950 1.00 0.00 C ATOM 1360 OG1 THR A 83 71.118 25.585 13.959 1.00 0.00 O ATOM 1361 CG2 THR A 83 71.083 27.644 15.219 1.00 0.00 C ATOM 0 H THR A 83 69.400 26.136 11.915 1.00 0.00 H new ATOM 0 HA THR A 83 68.673 26.389 14.659 1.00 0.00 H new ATOM 0 HB THR A 83 71.052 27.462 13.091 1.00 0.00 H new ATOM 0 HG1 THR A 83 72.095 25.587 14.036 1.00 0.00 H new ATOM 0 HG21 THR A 83 72.171 27.623 15.285 1.00 0.00 H new ATOM 0 HG22 THR A 83 70.741 28.679 15.196 1.00 0.00 H new ATOM 0 HG23 THR A 83 70.657 27.140 16.087 1.00 0.00 H new ATOM 1369 N ALA A 84 68.449 28.995 12.706 1.00 0.00 N ATOM 1370 CA ALA A 84 67.982 30.373 12.618 1.00 0.00 C ATOM 1371 C ALA A 84 66.458 30.438 12.634 1.00 0.00 C ATOM 1372 O ALA A 84 65.874 31.520 12.687 1.00 0.00 O ATOM 1373 CB ALA A 84 68.527 31.036 11.362 1.00 0.00 C ATOM 0 H ALA A 84 68.634 28.554 11.805 1.00 0.00 H new ATOM 0 HA ALA A 84 68.352 30.912 13.490 1.00 0.00 H new ATOM 0 HB1 ALA A 84 68.170 32.065 11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.617 31.031 11.391 1.00 0.00 H new ATOM 0 HB3 ALA A 84 68.185 30.488 10.484 1.00 0.00 H new ATOM 1379 N SER A 85 65.820 29.273 12.588 1.00 0.00 N ATOM 1380 CA SER A 85 64.364 29.198 12.592 1.00 0.00 C ATOM 1381 C SER A 85 63.849 28.716 13.945 1.00 0.00 C ATOM 1382 O SER A 85 62.782 29.130 14.398 1.00 0.00 O ATOM 1383 CB SER A 85 63.877 28.261 11.485 1.00 0.00 C ATOM 1384 OG SER A 85 63.969 26.906 11.887 1.00 0.00 O ATOM 0 H SER A 85 66.289 28.368 12.548 1.00 0.00 H new ATOM 0 HA SER A 85 63.973 30.199 12.409 1.00 0.00 H new ATOM 0 HB2 SER A 85 62.844 28.499 11.231 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.471 28.418 10.584 1.00 0.00 H new ATOM 0 HG SER A 85 64.846 26.744 12.294 1.00 0.00 H new ATOM 1390 N ILE A 86 64.615 27.838 14.584 1.00 0.00 N ATOM 1391 CA ILE A 86 64.237 27.300 15.884 1.00 0.00 C ATOM 1392 C ILE A 86 63.962 28.419 16.883 1.00 0.00 C ATOM 1393 O ILE A 86 64.127 29.598 16.571 1.00 0.00 O ATOM 1394 CB ILE A 86 65.333 26.378 16.452 1.00 0.00 C ATOM 1395 CG1 ILE A 86 66.697 27.067 16.380 1.00 0.00 C ATOM 1396 CG2 ILE A 86 65.359 25.058 15.695 1.00 0.00 C ATOM 1397 CD1 ILE A 86 67.793 26.315 17.102 1.00 0.00 C ATOM 0 H ILE A 86 65.501 27.485 14.222 1.00 0.00 H new ATOM 0 HA ILE A 86 63.327 26.719 15.733 1.00 0.00 H new ATOM 0 HB ILE A 86 65.107 26.170 17.498 1.00 0.00 H new ATOM 0 HG12 ILE A 86 66.979 27.188 15.334 1.00 0.00 H new ATOM 0 HG13 ILE A 86 66.613 28.067 16.805 1.00 0.00 H new ATOM 0 HG21 ILE A 86 66.138 24.417 16.108 1.00 0.00 H new ATOM 0 HG22 ILE A 86 64.393 24.563 15.793 1.00 0.00 H new ATOM 0 HG23 ILE A 86 65.565 25.247 14.641 1.00 0.00 H new ATOM 0 HD11 ILE A 86 68.731 26.862 17.009 1.00 0.00 H new ATOM 0 HD12 ILE A 86 67.533 26.217 18.156 1.00 0.00 H new ATOM 0 HD13 ILE A 86 67.905 25.324 16.662 1.00 0.00 H new ATOM 1409 N ALA A 87 63.544 28.041 18.087 1.00 0.00 N ATOM 1410 CA ALA A 87 63.250 29.011 19.133 1.00 0.00 C ATOM 1411 C ALA A 87 64.506 29.772 19.546 1.00 0.00 C ATOM 1412 O ALA A 87 65.632 29.326 19.322 1.00 0.00 O ATOM 1413 CB ALA A 87 62.631 28.318 20.338 1.00 0.00 C ATOM 0 H ALA A 87 63.402 27.069 18.361 1.00 0.00 H new ATOM 0 HA ALA A 87 62.535 29.731 18.735 1.00 0.00 H new ATOM 0 HB1 ALA A 87 62.417 29.055 21.112 1.00 0.00 H new ATOM 0 HB2 ALA A 87 61.705 27.826 20.039 1.00 0.00 H new ATOM 0 HB3 ALA A 87 63.327 27.575 20.728 1.00 0.00 H new ATOM 1419 N PRO A 88 64.312 30.947 20.162 1.00 0.00 N ATOM 1420 CA PRO A 88 65.418 31.794 20.618 1.00 0.00 C ATOM 1421 C PRO A 88 66.164 31.186 21.801 1.00 0.00 C ATOM 1422 O PRO A 88 67.338 31.481 22.023 1.00 0.00 O ATOM 1423 CB PRO A 88 64.723 33.092 21.035 1.00 0.00 C ATOM 1424 CG PRO A 88 63.332 32.683 21.379 1.00 0.00 C ATOM 1425 CD PRO A 88 62.998 31.539 20.461 1.00 0.00 C ATOM 0 HA PRO A 88 66.174 31.929 19.844 1.00 0.00 H new ATOM 0 HB2 PRO A 88 65.223 33.552 21.887 1.00 0.00 H new ATOM 0 HB3 PRO A 88 64.732 33.823 20.227 1.00 0.00 H new ATOM 0 HG2 PRO A 88 63.262 32.379 22.423 1.00 0.00 H new ATOM 0 HG3 PRO A 88 62.636 33.511 21.240 1.00 0.00 H new ATOM 0 HD2 PRO A 88 62.333 30.820 20.940 1.00 0.00 H new ATOM 0 HD3 PRO A 88 62.497 31.883 19.556 1.00 0.00 H new ATOM 1433 N GLN A 89 65.476 30.335 22.555 1.00 0.00 N ATOM 1434 CA GLN A 89 66.075 29.686 23.715 1.00 0.00 C ATOM 1435 C GLN A 89 66.946 28.508 23.291 1.00 0.00 C ATOM 1436 O GLN A 89 67.568 27.852 24.126 1.00 0.00 O ATOM 1437 CB GLN A 89 64.986 29.209 24.678 1.00 0.00 C ATOM 1438 CG GLN A 89 64.165 28.048 24.141 1.00 0.00 C ATOM 1439 CD GLN A 89 62.840 27.888 24.860 1.00 0.00 C ATOM 1440 OE1 GLN A 89 62.514 26.808 25.353 1.00 0.00 O ATOM 1441 NE2 GLN A 89 62.067 28.966 24.923 1.00 0.00 N ATOM 0 H GLN A 89 64.504 30.079 22.383 1.00 0.00 H new ATOM 0 HA GLN A 89 66.705 30.416 24.223 1.00 0.00 H new ATOM 0 HB2 GLN A 89 65.449 28.911 25.619 1.00 0.00 H new ATOM 0 HB3 GLN A 89 64.319 30.042 24.901 1.00 0.00 H new ATOM 0 HG2 GLN A 89 63.981 28.200 23.077 1.00 0.00 H new ATOM 0 HG3 GLN A 89 64.740 27.127 24.237 1.00 0.00 H new ATOM 0 HE21 GLN A 89 62.377 29.841 24.500 1.00 0.00 H new ATOM 0 HE22 GLN A 89 61.163 28.919 25.394 1.00 0.00 H new ATOM 1450 N GLN A 90 66.985 28.247 21.988 1.00 0.00 N ATOM 1451 CA GLN A 90 67.779 27.147 21.454 1.00 0.00 C ATOM 1452 C GLN A 90 68.651 27.619 20.295 1.00 0.00 C ATOM 1453 O GLN A 90 69.221 26.808 19.564 1.00 0.00 O ATOM 1454 CB GLN A 90 66.868 26.009 20.992 1.00 0.00 C ATOM 1455 CG GLN A 90 65.670 26.479 20.182 1.00 0.00 C ATOM 1456 CD GLN A 90 64.688 25.362 19.891 1.00 0.00 C ATOM 1457 OE1 GLN A 90 63.561 25.366 20.593 1.00 0.00 O flip ATOM 1458 NE2 GLN A 90 64.939 24.504 19.044 1.00 0.00 N flip ATOM 0 H GLN A 90 66.477 28.782 21.284 1.00 0.00 H new ATOM 0 HA GLN A 90 68.429 26.782 22.249 1.00 0.00 H new ATOM 0 HB2 GLN A 90 67.450 25.310 20.392 1.00 0.00 H new ATOM 0 HB3 GLN A 90 66.513 25.461 21.865 1.00 0.00 H new ATOM 0 HG2 GLN A 90 65.159 27.275 20.724 1.00 0.00 H new ATOM 0 HG3 GLN A 90 66.017 26.906 19.241 1.00 0.00 H new ATOM 0 HE21 GLN A 90 65.818 24.539 18.527 1.00 0.00 H new ATOM 0 HE22 GLN A 90 64.268 23.758 18.859 1.00 0.00 H new ATOM 1467 N ARG A 91 68.750 28.934 20.132 1.00 0.00 N ATOM 1468 CA ARG A 91 69.551 29.513 19.060 1.00 0.00 C ATOM 1469 C ARG A 91 70.802 30.185 19.619 1.00 0.00 C ATOM 1470 O ARG A 91 71.470 30.952 18.925 1.00 0.00 O ATOM 1471 CB ARG A 91 68.725 30.528 18.268 1.00 0.00 C ATOM 1472 CG ARG A 91 68.607 31.882 18.950 1.00 0.00 C ATOM 1473 CD ARG A 91 67.844 32.875 18.087 1.00 0.00 C ATOM 1474 NE ARG A 91 66.670 32.270 17.463 1.00 0.00 N ATOM 1475 CZ ARG A 91 66.066 32.773 16.392 1.00 0.00 C ATOM 1476 NH1 ARG A 91 66.523 33.882 15.829 1.00 0.00 N ATOM 1477 NH2 ARG A 91 65.003 32.165 15.883 1.00 0.00 N ATOM 0 H ARG A 91 68.286 29.619 20.729 1.00 0.00 H new ATOM 0 HA ARG A 91 69.859 28.707 18.394 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.177 30.664 17.285 1.00 0.00 H new ATOM 0 HB3 ARG A 91 67.726 30.124 18.106 1.00 0.00 H new ATOM 0 HG2 ARG A 91 68.100 31.765 19.908 1.00 0.00 H new ATOM 0 HG3 ARG A 91 69.603 32.272 19.162 1.00 0.00 H new ATOM 0 HD2 ARG A 91 67.533 33.722 18.698 1.00 0.00 H new ATOM 0 HD3 ARG A 91 68.505 33.265 17.313 1.00 0.00 H new ATOM 0 HE ARG A 91 66.293 31.415 17.872 1.00 0.00 H new ATOM 0 HH11 ARG A 91 67.341 34.352 16.218 1.00 0.00 H new ATOM 0 HH12 ARG A 91 66.057 34.266 15.007 1.00 0.00 H new ATOM 0 HH21 ARG A 91 64.649 31.311 16.314 1.00 0.00 H new ATOM 0 HH22 ARG A 91 64.539 32.551 15.061 1.00 0.00 H new ATOM 1491 N ARG A 92 71.113 29.892 20.878 1.00 0.00 N ATOM 1492 CA ARG A 92 72.282 30.469 21.530 1.00 0.00 C ATOM 1493 C ARG A 92 73.567 30.021 20.839 1.00 0.00 C ATOM 1494 O ARG A 92 73.590 29.004 20.148 1.00 0.00 O ATOM 1495 CB ARG A 92 72.318 30.069 23.006 1.00 0.00 C ATOM 1496 CG ARG A 92 73.004 31.091 23.898 1.00 0.00 C ATOM 1497 CD ARG A 92 72.152 32.338 24.073 1.00 0.00 C ATOM 1498 NE ARG A 92 72.940 33.480 24.529 1.00 0.00 N ATOM 1499 CZ ARG A 92 73.287 33.674 25.797 1.00 0.00 C ATOM 1500 NH1 ARG A 92 72.918 32.806 26.729 1.00 0.00 N ATOM 1501 NH2 ARG A 92 74.005 34.738 26.134 1.00 0.00 N ATOM 0 H ARG A 92 70.572 29.259 21.466 1.00 0.00 H new ATOM 0 HA ARG A 92 72.210 31.554 21.456 1.00 0.00 H new ATOM 0 HB2 ARG A 92 71.297 29.919 23.358 1.00 0.00 H new ATOM 0 HB3 ARG A 92 72.832 29.113 23.102 1.00 0.00 H new ATOM 0 HG2 ARG A 92 73.206 30.647 24.873 1.00 0.00 H new ATOM 0 HG3 ARG A 92 73.967 31.364 23.466 1.00 0.00 H new ATOM 0 HD2 ARG A 92 71.671 32.584 23.126 1.00 0.00 H new ATOM 0 HD3 ARG A 92 71.357 32.136 24.791 1.00 0.00 H new ATOM 0 HE ARG A 92 73.240 34.166 23.836 1.00 0.00 H new ATOM 0 HH11 ARG A 92 72.366 31.987 26.473 1.00 0.00 H new ATOM 0 HH12 ARG A 92 73.186 32.957 27.702 1.00 0.00 H new ATOM 0 HH21 ARG A 92 74.291 35.408 25.420 1.00 0.00 H new ATOM 0 HH22 ARG A 92 74.271 34.886 27.107 1.00 0.00 H new ATOM 1515 N GLY A 93 74.635 30.790 21.030 1.00 0.00 N ATOM 1516 CA GLY A 93 75.908 30.457 20.419 1.00 0.00 C ATOM 1517 C GLY A 93 76.817 31.662 20.279 1.00 0.00 C ATOM 1518 O GLY A 93 77.948 31.653 20.763 1.00 0.00 O ATOM 0 H GLY A 93 74.641 31.638 21.597 1.00 0.00 H new ATOM 0 HA2 GLY A 93 76.408 29.697 21.019 1.00 0.00 H new ATOM 0 HA3 GLY A 93 75.732 30.022 19.435 1.00 0.00 H new ATOM 1522 N ALA A 94 76.322 32.701 19.614 1.00 0.00 N ATOM 1523 CA ALA A 94 77.098 33.918 19.413 1.00 0.00 C ATOM 1524 C ALA A 94 76.290 34.965 18.653 1.00 0.00 C ATOM 1525 O ALA A 94 75.304 34.656 17.983 1.00 0.00 O ATOM 1526 CB ALA A 94 78.389 33.605 18.671 1.00 0.00 C ATOM 0 H ALA A 94 75.388 32.724 19.206 1.00 0.00 H new ATOM 0 HA ALA A 94 77.345 34.327 20.393 1.00 0.00 H new ATOM 0 HB1 ALA A 94 78.958 34.523 18.528 1.00 0.00 H new ATOM 0 HB2 ALA A 94 78.981 32.898 19.253 1.00 0.00 H new ATOM 0 HB3 ALA A 94 78.154 33.169 17.700 1.00 0.00 H new ATOM 1532 N PRO A 95 76.714 36.233 18.759 1.00 0.00 N ATOM 1533 CA PRO A 95 76.043 37.350 18.089 1.00 0.00 C ATOM 1534 C PRO A 95 76.225 37.313 16.575 1.00 0.00 C ATOM 1535 O PRO A 95 77.314 37.575 16.064 1.00 0.00 O ATOM 1536 CB PRO A 95 76.732 38.583 18.680 1.00 0.00 C ATOM 1537 CG PRO A 95 78.075 38.099 19.106 1.00 0.00 C ATOM 1538 CD PRO A 95 77.882 36.673 19.541 1.00 0.00 C ATOM 0 HA PRO A 95 74.965 37.330 18.246 1.00 0.00 H new ATOM 0 HB2 PRO A 95 76.815 39.382 17.943 1.00 0.00 H new ATOM 0 HB3 PRO A 95 76.170 38.984 19.523 1.00 0.00 H new ATOM 0 HG2 PRO A 95 78.791 38.164 18.287 1.00 0.00 H new ATOM 0 HG3 PRO A 95 78.468 38.706 19.922 1.00 0.00 H new ATOM 0 HD2 PRO A 95 78.761 36.065 19.327 1.00 0.00 H new ATOM 0 HD3 PRO A 95 77.698 36.601 20.613 1.00 0.00 H new ATOM 1546 N VAL A 96 75.152 36.984 15.863 1.00 0.00 N ATOM 1547 CA VAL A 96 75.194 36.914 14.407 1.00 0.00 C ATOM 1548 C VAL A 96 74.238 37.923 13.780 1.00 0.00 C ATOM 1549 O VAL A 96 73.287 38.387 14.409 1.00 0.00 O ATOM 1550 CB VAL A 96 74.836 35.503 13.903 1.00 0.00 C ATOM 1551 CG1 VAL A 96 76.064 34.606 13.910 1.00 0.00 C ATOM 1552 CG2 VAL A 96 73.722 34.902 14.748 1.00 0.00 C ATOM 0 H VAL A 96 74.244 36.762 16.270 1.00 0.00 H new ATOM 0 HA VAL A 96 76.215 37.151 14.108 1.00 0.00 H new ATOM 0 HB VAL A 96 74.479 35.583 12.876 1.00 0.00 H new ATOM 0 HG11 VAL A 96 75.792 33.614 13.551 1.00 0.00 H new ATOM 0 HG12 VAL A 96 76.828 35.030 13.259 1.00 0.00 H new ATOM 0 HG13 VAL A 96 76.453 34.530 14.925 1.00 0.00 H new ATOM 0 HG21 VAL A 96 73.482 33.905 14.378 1.00 0.00 H new ATOM 0 HG22 VAL A 96 74.048 34.835 15.786 1.00 0.00 H new ATOM 0 HG23 VAL A 96 72.837 35.535 14.686 1.00 0.00 H new ATOM 1562 N PRO A 97 74.494 38.271 12.511 1.00 0.00 N ATOM 1563 CA PRO A 97 73.667 39.228 11.770 1.00 0.00 C ATOM 1564 C PRO A 97 72.287 38.669 11.441 1.00 0.00 C ATOM 1565 O PRO A 97 72.156 37.751 10.632 1.00 0.00 O ATOM 1566 CB PRO A 97 74.466 39.468 10.487 1.00 0.00 C ATOM 1567 CG PRO A 97 75.283 38.235 10.313 1.00 0.00 C ATOM 1568 CD PRO A 97 75.610 37.756 11.700 1.00 0.00 C ATOM 0 HA PRO A 97 73.477 40.134 12.346 1.00 0.00 H new ATOM 0 HB2 PRO A 97 73.806 39.629 9.634 1.00 0.00 H new ATOM 0 HB3 PRO A 97 75.097 40.352 10.573 1.00 0.00 H new ATOM 0 HG2 PRO A 97 74.731 37.476 9.758 1.00 0.00 H new ATOM 0 HG3 PRO A 97 76.191 38.445 9.748 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.671 36.669 11.746 1.00 0.00 H new ATOM 0 HD3 PRO A 97 76.569 38.144 12.043 1.00 0.00 H new ATOM 1576 N GLN A 98 71.260 39.228 12.074 1.00 0.00 N ATOM 1577 CA GLN A 98 69.890 38.784 11.848 1.00 0.00 C ATOM 1578 C GLN A 98 69.536 38.843 10.366 1.00 0.00 C ATOM 1579 O GLN A 98 68.719 38.060 9.882 1.00 0.00 O ATOM 1580 CB GLN A 98 68.914 39.644 12.653 1.00 0.00 C ATOM 1581 CG GLN A 98 69.035 39.457 14.157 1.00 0.00 C ATOM 1582 CD GLN A 98 68.093 40.355 14.934 1.00 0.00 C ATOM 1583 OE1 GLN A 98 67.457 41.245 14.368 1.00 0.00 O ATOM 1584 NE2 GLN A 98 67.998 40.126 16.238 1.00 0.00 N ATOM 0 H GLN A 98 71.351 39.989 12.747 1.00 0.00 H new ATOM 0 HA GLN A 98 69.810 37.749 12.180 1.00 0.00 H new ATOM 0 HB2 GLN A 98 69.083 40.693 12.411 1.00 0.00 H new ATOM 0 HB3 GLN A 98 67.895 39.406 12.347 1.00 0.00 H new ATOM 0 HG2 GLN A 98 68.829 38.417 14.408 1.00 0.00 H new ATOM 0 HG3 GLN A 98 70.061 39.661 14.463 1.00 0.00 H new ATOM 0 HE21 GLN A 98 68.544 39.378 16.665 1.00 0.00 H new ATOM 0 HE22 GLN A 98 67.379 40.698 16.813 1.00 0.00 H new ATOM 1593 N GLU A 99 70.157 39.776 9.651 1.00 0.00 N ATOM 1594 CA GLU A 99 69.905 39.937 8.224 1.00 0.00 C ATOM 1595 C GLU A 99 70.119 38.621 7.482 1.00 0.00 C ATOM 1596 O GLU A 99 69.426 38.324 6.508 1.00 0.00 O ATOM 1597 CB GLU A 99 70.819 41.017 7.641 1.00 0.00 C ATOM 1598 CG GLU A 99 72.293 40.786 7.925 1.00 0.00 C ATOM 1599 CD GLU A 99 73.193 41.715 7.133 1.00 0.00 C ATOM 1600 OE1 GLU A 99 72.692 42.745 6.635 1.00 0.00 O ATOM 1601 OE2 GLU A 99 74.398 41.412 7.012 1.00 0.00 O ATOM 0 H GLU A 99 70.837 40.431 10.036 1.00 0.00 H new ATOM 0 HA GLU A 99 68.866 40.242 8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 99 70.669 41.065 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 99 70.527 41.986 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 99 72.480 40.926 8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 99 72.547 39.752 7.690 1.00 0.00 H new ATOM 1608 N LEU A 100 71.083 37.835 7.949 1.00 0.00 N ATOM 1609 CA LEU A 100 71.389 36.550 7.331 1.00 0.00 C ATOM 1610 C LEU A 100 70.324 35.513 7.673 1.00 0.00 C ATOM 1611 O LEU A 100 69.938 34.702 6.829 1.00 0.00 O ATOM 1612 CB LEU A 100 72.763 36.056 7.788 1.00 0.00 C ATOM 1613 CG LEU A 100 73.956 36.927 7.391 1.00 0.00 C ATOM 1614 CD1 LEU A 100 75.262 36.189 7.639 1.00 0.00 C ATOM 1615 CD2 LEU A 100 73.847 37.346 5.932 1.00 0.00 C ATOM 0 H LEU A 100 71.666 38.065 8.754 1.00 0.00 H new ATOM 0 HA LEU A 100 71.400 36.689 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.751 35.964 8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.919 35.055 7.385 1.00 0.00 H new ATOM 0 HG LEU A 100 73.948 37.825 8.009 1.00 0.00 H new ATOM 0 HD11 LEU A 100 76.099 36.824 7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 100 75.344 35.939 8.697 1.00 0.00 H new ATOM 0 HD13 LEU A 100 75.281 35.274 7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 100 74.704 37.965 5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 100 73.830 36.459 5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 100 72.929 37.915 5.784 1.00 0.00 H new ATOM 1627 N LEU A 101 69.851 35.545 8.914 1.00 0.00 N ATOM 1628 CA LEU A 101 68.828 34.610 9.367 1.00 0.00 C ATOM 1629 C LEU A 101 67.471 34.951 8.760 1.00 0.00 C ATOM 1630 O LEU A 101 66.629 34.074 8.565 1.00 0.00 O ATOM 1631 CB LEU A 101 68.735 34.626 10.894 1.00 0.00 C ATOM 1632 CG LEU A 101 69.980 34.156 11.647 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.870 33.321 10.740 1.00 0.00 C ATOM 1634 CD2 LEU A 101 70.748 35.346 12.203 1.00 0.00 C ATOM 0 H LEU A 101 70.160 36.209 9.624 1.00 0.00 H new ATOM 0 HA LEU A 101 69.112 33.611 9.037 1.00 0.00 H new ATOM 0 HB2 LEU A 101 68.504 35.642 11.213 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.895 33.999 11.194 1.00 0.00 H new ATOM 0 HG LEU A 101 69.662 33.532 12.482 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.751 32.996 11.294 1.00 0.00 H new ATOM 0 HD12 LEU A 101 70.318 32.448 10.392 1.00 0.00 H new ATOM 0 HD13 LEU A 101 71.180 33.920 9.884 1.00 0.00 H new ATOM 0 HD21 LEU A 101 71.631 34.993 12.736 1.00 0.00 H new ATOM 0 HD22 LEU A 101 71.055 35.996 11.384 1.00 0.00 H new ATOM 0 HD23 LEU A 101 70.109 35.903 12.889 1.00 0.00 H new ATOM 1646 N ASP A 102 67.267 36.229 8.461 1.00 0.00 N ATOM 1647 CA ASP A 102 66.013 36.685 7.873 1.00 0.00 C ATOM 1648 C ASP A 102 65.941 36.318 6.394 1.00 0.00 C ATOM 1649 O ASP A 102 64.905 35.867 5.906 1.00 0.00 O ATOM 1650 CB ASP A 102 65.867 38.198 8.043 1.00 0.00 C ATOM 1651 CG ASP A 102 64.439 38.668 7.841 1.00 0.00 C ATOM 1652 OD1 ASP A 102 63.678 37.967 7.142 1.00 0.00 O ATOM 1653 OD2 ASP A 102 64.084 39.737 8.381 1.00 0.00 O ATOM 0 H ASP A 102 67.953 36.967 8.616 1.00 0.00 H new ATOM 0 HA ASP A 102 65.194 36.187 8.393 1.00 0.00 H new ATOM 0 HB2 ASP A 102 66.203 38.483 9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 102 66.518 38.705 7.331 1.00 0.00 H new ATOM 1658 N ARG A 103 67.049 36.515 5.686 1.00 0.00 N ATOM 1659 CA ARG A 103 67.110 36.206 4.263 1.00 0.00 C ATOM 1660 C ARG A 103 66.999 34.703 4.027 1.00 0.00 C ATOM 1661 O ARG A 103 66.312 34.257 3.107 1.00 0.00 O ATOM 1662 CB ARG A 103 68.415 36.732 3.661 1.00 0.00 C ATOM 1663 CG ARG A 103 69.662 36.158 4.315 1.00 0.00 C ATOM 1664 CD ARG A 103 70.927 36.768 3.733 1.00 0.00 C ATOM 1665 NE ARG A 103 70.924 36.745 2.272 1.00 0.00 N ATOM 1666 CZ ARG A 103 70.474 37.744 1.522 1.00 0.00 C ATOM 1667 NH1 ARG A 103 69.992 38.840 2.091 1.00 0.00 N ATOM 1668 NH2 ARG A 103 70.505 37.647 0.199 1.00 0.00 N ATOM 0 H ARG A 103 67.916 36.887 6.075 1.00 0.00 H new ATOM 0 HA ARG A 103 66.268 36.696 3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 103 68.434 36.500 2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.435 37.818 3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 103 69.629 36.342 5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 103 69.681 35.077 4.178 1.00 0.00 H new ATOM 0 HD2 ARG A 103 71.026 37.797 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 103 71.796 36.223 4.102 1.00 0.00 H new ATOM 0 HE ARG A 103 71.288 35.916 1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 103 69.966 38.918 3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 103 69.647 39.606 1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 103 70.875 36.805 -0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 103 70.159 38.415 -0.377 1.00 0.00 H new ATOM 1682 N VAL A 104 67.679 33.925 4.863 1.00 0.00 N ATOM 1683 CA VAL A 104 67.656 32.472 4.747 1.00 0.00 C ATOM 1684 C VAL A 104 66.285 31.913 5.111 1.00 0.00 C ATOM 1685 O VAL A 104 65.788 30.988 4.468 1.00 0.00 O ATOM 1686 CB VAL A 104 68.721 31.820 5.649 1.00 0.00 C ATOM 1687 CG1 VAL A 104 70.114 32.284 5.252 1.00 0.00 C ATOM 1688 CG2 VAL A 104 68.442 32.131 7.111 1.00 0.00 C ATOM 0 H VAL A 104 68.253 34.277 5.629 1.00 0.00 H new ATOM 0 HA VAL A 104 67.877 32.234 3.707 1.00 0.00 H new ATOM 0 HB VAL A 104 68.673 30.739 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 104 70.853 31.813 5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 104 70.309 32.005 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 104 70.180 33.367 5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 104 69.204 31.663 7.734 1.00 0.00 H new ATOM 0 HG22 VAL A 104 68.461 33.210 7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 104 67.461 31.743 7.385 1.00 0.00 H new ATOM 1698 N LEU A 105 65.678 32.481 6.148 1.00 0.00 N ATOM 1699 CA LEU A 105 64.362 32.040 6.599 1.00 0.00 C ATOM 1700 C LEU A 105 63.293 32.365 5.560 1.00 0.00 C ATOM 1701 O LEU A 105 62.530 31.493 5.147 1.00 0.00 O ATOM 1702 CB LEU A 105 64.011 32.700 7.933 1.00 0.00 C ATOM 1703 CG LEU A 105 64.630 32.066 9.179 1.00 0.00 C ATOM 1704 CD1 LEU A 105 64.364 32.927 10.404 1.00 0.00 C ATOM 1705 CD2 LEU A 105 64.087 30.659 9.386 1.00 0.00 C ATOM 0 H LEU A 105 66.076 33.247 6.692 1.00 0.00 H new ATOM 0 HA LEU A 105 64.394 30.959 6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.319 33.745 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 105 62.927 32.691 8.046 1.00 0.00 H new ATOM 0 HG LEU A 105 65.708 32.001 9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 105 64.812 32.460 11.281 1.00 0.00 H new ATOM 0 HD12 LEU A 105 64.800 33.915 10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 105 63.289 33.024 10.554 1.00 0.00 H new ATOM 0 HD21 LEU A 105 64.538 30.222 10.277 1.00 0.00 H new ATOM 0 HD22 LEU A 105 63.005 30.701 9.511 1.00 0.00 H new ATOM 0 HD23 LEU A 105 64.329 30.044 8.519 1.00 0.00 H new ATOM 1717 N ALA A 106 63.247 33.626 5.141 1.00 0.00 N ATOM 1718 CA ALA A 106 62.275 34.065 4.148 1.00 0.00 C ATOM 1719 C ALA A 106 62.409 33.265 2.857 1.00 0.00 C ATOM 1720 O ALA A 106 61.412 32.861 2.260 1.00 0.00 O ATOM 1721 CB ALA A 106 62.440 35.552 3.870 1.00 0.00 C ATOM 0 H ALA A 106 63.871 34.361 5.474 1.00 0.00 H new ATOM 0 HA ALA A 106 61.277 33.890 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 106 61.708 35.867 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.286 36.114 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 106 63.445 35.742 3.493 1.00 0.00 H new ATOM 1727 N ALA A 107 63.648 33.041 2.432 1.00 0.00 N ATOM 1728 CA ALA A 107 63.912 32.288 1.212 1.00 0.00 C ATOM 1729 C ALA A 107 63.466 30.837 1.355 1.00 0.00 C ATOM 1730 O ALA A 107 62.937 30.246 0.414 1.00 0.00 O ATOM 1731 CB ALA A 107 65.391 32.355 0.860 1.00 0.00 C ATOM 0 H ALA A 107 64.484 33.370 2.914 1.00 0.00 H new ATOM 0 HA ALA A 107 63.336 32.740 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 107 65.574 31.788 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 107 65.682 33.394 0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 107 65.978 31.930 1.674 1.00 0.00 H new ATOM 1737 N GLN A 108 63.684 30.269 2.537 1.00 0.00 N ATOM 1738 CA GLN A 108 63.305 28.886 2.801 1.00 0.00 C ATOM 1739 C GLN A 108 61.804 28.689 2.621 1.00 0.00 C ATOM 1740 O GLN A 108 61.366 27.749 1.959 1.00 0.00 O ATOM 1741 CB GLN A 108 63.718 28.484 4.218 1.00 0.00 C ATOM 1742 CG GLN A 108 63.998 26.998 4.371 1.00 0.00 C ATOM 1743 CD GLN A 108 62.989 26.135 3.638 1.00 0.00 C ATOM 1744 OE1 GLN A 108 63.234 25.690 2.517 1.00 0.00 O ATOM 1745 NE2 GLN A 108 61.847 25.894 4.270 1.00 0.00 N ATOM 0 H GLN A 108 64.121 30.745 3.326 1.00 0.00 H new ATOM 0 HA GLN A 108 63.825 28.250 2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 108 64.609 29.044 4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 108 62.928 28.770 4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 108 64.998 26.780 3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 108 63.992 26.738 5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 108 61.686 26.283 5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 108 61.130 25.319 3.827 1.00 0.00 H new ATOM 1754 N ALA A 109 61.019 29.583 3.215 1.00 0.00 N ATOM 1755 CA ALA A 109 59.567 29.508 3.119 1.00 0.00 C ATOM 1756 C ALA A 109 59.090 29.866 1.715 1.00 0.00 C ATOM 1757 O ALA A 109 58.067 29.365 1.250 1.00 0.00 O ATOM 1758 CB ALA A 109 58.922 30.426 4.147 1.00 0.00 C ATOM 0 H ALA A 109 61.365 30.367 3.768 1.00 0.00 H new ATOM 0 HA ALA A 109 59.267 28.481 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 109 57.837 30.360 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.228 30.123 5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.238 31.453 3.966 1.00 0.00 H new ATOM 1764 N TYR A 110 59.838 30.736 1.046 1.00 0.00 N ATOM 1765 CA TYR A 110 59.490 31.164 -0.304 1.00 0.00 C ATOM 1766 C TYR A 110 59.738 30.045 -1.311 1.00 0.00 C ATOM 1767 O TYR A 110 58.919 29.797 -2.196 1.00 0.00 O ATOM 1768 CB TYR A 110 60.297 32.403 -0.694 1.00 0.00 C ATOM 1769 CG TYR A 110 59.627 33.255 -1.748 1.00 0.00 C ATOM 1770 CD1 TYR A 110 58.358 33.782 -1.540 1.00 0.00 C ATOM 1771 CD2 TYR A 110 60.263 33.533 -2.952 1.00 0.00 C ATOM 1772 CE1 TYR A 110 57.742 34.560 -2.501 1.00 0.00 C ATOM 1773 CE2 TYR A 110 59.655 34.312 -3.917 1.00 0.00 C ATOM 1774 CZ TYR A 110 58.395 34.823 -3.688 1.00 0.00 C ATOM 1775 OH TYR A 110 57.785 35.598 -4.648 1.00 0.00 O ATOM 0 H TYR A 110 60.689 31.159 1.416 1.00 0.00 H new ATOM 0 HA TYR A 110 58.429 31.412 -0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 110 60.469 33.009 0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 110 61.275 32.089 -1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 110 57.845 33.580 -0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 110 61.249 33.133 -3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 110 56.755 34.960 -2.324 1.00 0.00 H new ATOM 0 HE2 TYR A 110 60.164 34.520 -4.847 1.00 0.00 H new ATOM 0 HH TYR A 110 58.379 35.688 -5.422 1.00 0.00 H new ATOM 1785 N TRP A 111 60.874 29.371 -1.169 1.00 0.00 N ATOM 1786 CA TRP A 111 61.232 28.277 -2.065 1.00 0.00 C ATOM 1787 C TRP A 111 60.422 27.026 -1.745 1.00 0.00 C ATOM 1788 O TRP A 111 60.313 26.119 -2.570 1.00 0.00 O ATOM 1789 CB TRP A 111 62.727 27.973 -1.960 1.00 0.00 C ATOM 1790 CG TRP A 111 63.595 29.071 -2.495 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.639 29.676 -1.855 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.493 29.696 -3.779 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.192 30.639 -2.664 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.508 30.671 -3.850 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.645 29.526 -4.877 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 64.694 31.471 -4.974 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 62.831 30.321 -5.991 1.00 0.00 C ATOM 1798 CH2 TRP A 111 63.849 31.283 -6.034 1.00 0.00 C ATOM 0 H TRP A 111 61.563 29.563 -0.442 1.00 0.00 H new ATOM 0 HA TRP A 111 61.003 28.585 -3.085 1.00 0.00 H new ATOM 0 HB2 TRP A 111 62.982 27.795 -0.915 1.00 0.00 H new ATOM 0 HB3 TRP A 111 62.942 27.052 -2.502 1.00 0.00 H new ATOM 0 HD1 TRP A 111 64.980 29.433 -0.859 1.00 0.00 H new ATOM 0 HE1 TRP A 111 65.984 31.234 -2.421 1.00 0.00 H new ATOM 0 HE3 TRP A 111 61.858 28.786 -4.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 65.477 32.214 -5.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 62.180 30.199 -6.844 1.00 0.00 H new ATOM 0 HH2 TRP A 111 63.969 31.888 -6.921 1.00 0.00 H new ATOM 1809 N SER A 112 59.856 26.983 -0.544 1.00 0.00 N ATOM 1810 CA SER A 112 59.059 25.840 -0.114 1.00 0.00 C ATOM 1811 C SER A 112 57.937 25.555 -1.109 1.00 0.00 C ATOM 1812 O SER A 112 56.991 26.332 -1.234 1.00 0.00 O ATOM 1813 CB SER A 112 58.471 26.094 1.275 1.00 0.00 C ATOM 1814 OG SER A 112 57.703 24.987 1.714 1.00 0.00 O ATOM 0 H SER A 112 59.934 27.727 0.149 1.00 0.00 H new ATOM 0 HA SER A 112 59.713 24.969 -0.070 1.00 0.00 H new ATOM 0 HB2 SER A 112 59.276 26.286 1.984 1.00 0.00 H new ATOM 0 HB3 SER A 112 57.847 26.987 1.251 1.00 0.00 H new ATOM 0 HG SER A 112 57.340 25.174 2.605 1.00 0.00 H new