USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 38 MET CE :methyl -171:sc= 0 (180deg=-0.13) USER MOD Single : A 40 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.3!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 49 GLN : amide:sc= -0.0478 K(o=-0.048,f=-2.6!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 90:sc= 0.445 USER MOD Single : A 57 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.042) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -20:sc= -0.267 USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0102) USER MOD Single : A 71 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.44) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl 152:sc= -2.71! (180deg=-4.53!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 96 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0312) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 15.879 -0.688 7.429 1.00 0.00 N ATOM 525 CA GLU A 37 15.445 0.505 8.147 1.00 0.00 C ATOM 526 C GLU A 37 14.453 1.311 7.313 1.00 0.00 C ATOM 527 O GLU A 37 13.522 1.913 7.848 1.00 0.00 O ATOM 528 CB GLU A 37 16.650 1.376 8.509 1.00 0.00 C ATOM 529 CG GLU A 37 17.392 0.904 9.748 1.00 0.00 C ATOM 530 CD GLU A 37 16.603 1.129 11.022 1.00 0.00 C ATOM 531 OE1 GLU A 37 16.020 2.223 11.173 1.00 0.00 O ATOM 532 OE2 GLU A 37 16.567 0.212 11.869 1.00 0.00 O ATOM 0 HA GLU A 37 14.948 0.186 9.063 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.341 1.393 7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.313 2.401 8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.619 -0.157 9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.345 1.429 9.818 1.00 0.00 H new ATOM 539 N MET A 38 14.661 1.318 6.001 1.00 0.00 N ATOM 540 CA MET A 38 13.784 2.049 5.093 1.00 0.00 C ATOM 541 C MET A 38 12.458 1.318 4.911 1.00 0.00 C ATOM 542 O MET A 38 11.388 1.902 5.089 1.00 0.00 O ATOM 543 CB MET A 38 14.465 2.239 3.736 1.00 0.00 C ATOM 544 CG MET A 38 14.755 0.933 3.013 1.00 0.00 C ATOM 545 SD MET A 38 15.876 1.146 1.617 1.00 0.00 S ATOM 546 CE MET A 38 14.891 2.192 0.548 1.00 0.00 C ATOM 0 H MET A 38 15.428 0.826 5.543 1.00 0.00 H new ATOM 0 HA MET A 38 13.582 3.026 5.531 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.831 2.861 3.104 1.00 0.00 H new ATOM 0 HB3 MET A 38 15.400 2.780 3.881 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.188 0.221 3.716 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.818 0.502 2.659 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.378 2.282 -0.423 1.00 0.00 H new ATOM 0 HE2 MET A 38 13.902 1.751 0.418 1.00 0.00 H new ATOM 0 HE3 MET A 38 14.792 3.180 0.997 1.00 0.00 H new ATOM 556 N ARG A 39 12.535 0.040 4.557 1.00 0.00 N ATOM 557 CA ARG A 39 11.340 -0.769 4.350 1.00 0.00 C ATOM 558 C ARG A 39 10.547 -0.909 5.646 1.00 0.00 C ATOM 559 O ARG A 39 9.321 -1.004 5.628 1.00 0.00 O ATOM 560 CB ARG A 39 11.720 -2.153 3.821 1.00 0.00 C ATOM 561 CG ARG A 39 12.576 -2.959 4.783 1.00 0.00 C ATOM 562 CD ARG A 39 13.216 -4.154 4.093 1.00 0.00 C ATOM 563 NE ARG A 39 12.222 -5.022 3.468 1.00 0.00 N ATOM 564 CZ ARG A 39 12.531 -6.102 2.760 1.00 0.00 C ATOM 565 NH1 ARG A 39 13.800 -6.446 2.588 1.00 0.00 N ATOM 566 NH2 ARG A 39 11.570 -6.842 2.222 1.00 0.00 N ATOM 0 H ARG A 39 13.413 -0.458 4.407 1.00 0.00 H new ATOM 0 HA ARG A 39 10.714 -0.265 3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.810 -2.712 3.603 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.257 -2.038 2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.353 -2.320 5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.963 -3.304 5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.918 -3.803 3.336 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.792 -4.727 4.820 1.00 0.00 H new ATOM 0 HE ARG A 39 11.236 -4.786 3.581 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.542 -5.880 3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.034 -7.276 2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.592 -6.581 2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.809 -7.671 1.678 1.00 0.00 H new ATOM 580 N ASN A 40 11.257 -0.920 6.770 1.00 0.00 N ATOM 581 CA ASN A 40 10.620 -1.049 8.075 1.00 0.00 C ATOM 582 C ASN A 40 9.675 0.119 8.338 1.00 0.00 C ATOM 583 O ASN A 40 8.566 -0.066 8.839 1.00 0.00 O ATOM 584 CB ASN A 40 11.679 -1.121 9.178 1.00 0.00 C ATOM 585 CG ASN A 40 12.164 -2.537 9.422 1.00 0.00 C ATOM 586 OD1 ASN A 40 11.534 -3.504 8.993 1.00 0.00 O ATOM 587 ND2 ASN A 40 13.289 -2.665 10.116 1.00 0.00 N ATOM 0 H ASN A 40 12.273 -0.841 6.803 1.00 0.00 H new ATOM 0 HA ASN A 40 10.038 -1.971 8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.526 -0.491 8.906 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.265 -0.717 10.102 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.664 -3.593 10.313 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.778 -1.835 10.452 1.00 0.00 H new ATOM 594 N SER A 41 10.122 1.323 7.995 1.00 0.00 N ATOM 595 CA SER A 41 9.318 2.523 8.196 1.00 0.00 C ATOM 596 C SER A 41 8.195 2.603 7.166 1.00 0.00 C ATOM 597 O SER A 41 7.048 2.895 7.505 1.00 0.00 O ATOM 598 CB SER A 41 10.197 3.772 8.107 1.00 0.00 C ATOM 599 OG SER A 41 11.038 3.885 9.243 1.00 0.00 O ATOM 0 H SER A 41 11.037 1.493 7.577 1.00 0.00 H new ATOM 0 HA SER A 41 8.873 2.471 9.190 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.805 3.729 7.203 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.568 4.658 8.026 1.00 0.00 H new ATOM 0 HG SER A 41 11.591 4.690 9.162 1.00 0.00 H new ATOM 605 N ILE A 42 8.535 2.343 5.908 1.00 0.00 N ATOM 606 CA ILE A 42 7.556 2.384 4.829 1.00 0.00 C ATOM 607 C ILE A 42 6.503 1.295 5.000 1.00 0.00 C ATOM 608 O ILE A 42 5.400 1.393 4.460 1.00 0.00 O ATOM 609 CB ILE A 42 8.229 2.221 3.453 1.00 0.00 C ATOM 610 CG1 ILE A 42 9.332 3.265 3.273 1.00 0.00 C ATOM 611 CG2 ILE A 42 7.196 2.336 2.342 1.00 0.00 C ATOM 612 CD1 ILE A 42 10.427 2.830 2.325 1.00 0.00 C ATOM 0 H ILE A 42 9.481 2.102 5.611 1.00 0.00 H new ATOM 0 HA ILE A 42 7.075 3.361 4.876 1.00 0.00 H new ATOM 0 HB ILE A 42 8.681 1.231 3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.889 4.190 2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.772 3.488 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.686 2.219 1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.443 1.558 2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.718 3.314 2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.174 3.619 2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.897 1.922 2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.000 2.634 1.341 1.00 0.00 H new ATOM 624 N LEU A 43 6.848 0.259 5.756 1.00 0.00 N ATOM 625 CA LEU A 43 5.931 -0.849 6.001 1.00 0.00 C ATOM 626 C LEU A 43 4.928 -0.494 7.094 1.00 0.00 C ATOM 627 O LEU A 43 3.753 -0.848 7.010 1.00 0.00 O ATOM 628 CB LEU A 43 6.711 -2.104 6.396 1.00 0.00 C ATOM 629 CG LEU A 43 7.209 -2.976 5.243 1.00 0.00 C ATOM 630 CD1 LEU A 43 7.972 -4.179 5.775 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.045 -3.423 4.371 1.00 0.00 C ATOM 0 H LEU A 43 7.756 0.163 6.210 1.00 0.00 H new ATOM 0 HA LEU A 43 5.382 -1.045 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.571 -1.800 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.077 -2.714 7.039 1.00 0.00 H new ATOM 0 HG LEU A 43 7.888 -2.383 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.319 -4.788 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.829 -3.838 6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.316 -4.774 6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.418 -4.043 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.341 -3.999 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.541 -2.548 3.960 1.00 0.00 H new ATOM 643 N ALA A 44 5.401 0.209 8.118 1.00 0.00 N ATOM 644 CA ALA A 44 4.545 0.616 9.225 1.00 0.00 C ATOM 645 C ALA A 44 3.548 1.682 8.786 1.00 0.00 C ATOM 646 O ALA A 44 2.379 1.649 9.171 1.00 0.00 O ATOM 647 CB ALA A 44 5.388 1.124 10.385 1.00 0.00 C ATOM 0 H ALA A 44 6.372 0.508 8.204 1.00 0.00 H new ATOM 0 HA ALA A 44 3.981 -0.256 9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.735 1.425 11.205 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.055 0.332 10.724 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.978 1.980 10.058 1.00 0.00 H new ATOM 653 N GLN A 45 4.017 2.627 7.978 1.00 0.00 N ATOM 654 CA GLN A 45 3.166 3.705 7.487 1.00 0.00 C ATOM 655 C GLN A 45 2.040 3.156 6.618 1.00 0.00 C ATOM 656 O GLN A 45 0.920 3.667 6.638 1.00 0.00 O ATOM 657 CB GLN A 45 3.994 4.716 6.692 1.00 0.00 C ATOM 658 CG GLN A 45 4.329 4.253 5.283 1.00 0.00 C ATOM 659 CD GLN A 45 4.884 5.368 4.419 1.00 0.00 C ATOM 660 OE1 GLN A 45 6.052 5.740 4.540 1.00 0.00 O ATOM 661 NE2 GLN A 45 4.049 5.909 3.540 1.00 0.00 N ATOM 0 H GLN A 45 4.982 2.668 7.649 1.00 0.00 H new ATOM 0 HA GLN A 45 2.724 4.206 8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.447 5.657 6.636 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.921 4.917 7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.056 3.442 5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.432 3.848 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.089 5.570 3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.367 6.663 2.932 1.00 0.00 H new ATOM 670 N VAL A 46 2.344 2.111 5.854 1.00 0.00 N ATOM 671 CA VAL A 46 1.357 1.492 4.977 1.00 0.00 C ATOM 672 C VAL A 46 0.556 0.426 5.718 1.00 0.00 C ATOM 673 O VAL A 46 -0.519 0.021 5.273 1.00 0.00 O ATOM 674 CB VAL A 46 2.023 0.854 3.744 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.812 1.895 2.964 1.00 0.00 C ATOM 676 CG2 VAL A 46 2.919 -0.303 4.162 1.00 0.00 C ATOM 0 H VAL A 46 3.266 1.676 5.825 1.00 0.00 H new ATOM 0 HA VAL A 46 0.685 2.284 4.648 1.00 0.00 H new ATOM 0 HB VAL A 46 1.242 0.462 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.275 1.425 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.141 2.687 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.586 2.319 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.382 -0.742 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.695 0.062 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.323 -1.059 4.673 1.00 0.00 H new ATOM 686 N LEU A 47 1.087 -0.025 6.849 1.00 0.00 N ATOM 687 CA LEU A 47 0.421 -1.044 7.653 1.00 0.00 C ATOM 688 C LEU A 47 -0.146 -0.443 8.934 1.00 0.00 C ATOM 689 O LEU A 47 0.139 0.707 9.272 1.00 0.00 O ATOM 690 CB LEU A 47 1.399 -2.171 7.994 1.00 0.00 C ATOM 691 CG LEU A 47 1.829 -3.062 6.828 1.00 0.00 C ATOM 692 CD1 LEU A 47 2.999 -3.944 7.234 1.00 0.00 C ATOM 693 CD2 LEU A 47 0.661 -3.911 6.347 1.00 0.00 C ATOM 0 H LEU A 47 1.976 0.298 7.230 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.404 -1.451 7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.292 -1.729 8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.944 -2.801 8.758 1.00 0.00 H new ATOM 0 HG LEU A 47 2.151 -2.422 6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.291 -4.571 6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.841 -3.318 7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.705 -4.576 8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.985 -4.539 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.309 -4.542 7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.149 -3.261 6.016 1.00 0.00 H new ATOM 705 N ASP A 48 -0.949 -1.227 9.645 1.00 0.00 N ATOM 706 CA ASP A 48 -1.554 -0.773 10.892 1.00 0.00 C ATOM 707 C ASP A 48 -1.298 -1.772 12.016 1.00 0.00 C ATOM 708 O ASP A 48 -1.015 -2.944 11.764 1.00 0.00 O ATOM 709 CB ASP A 48 -3.058 -0.568 10.708 1.00 0.00 C ATOM 710 CG ASP A 48 -3.628 0.442 11.685 1.00 0.00 C ATOM 711 OD1 ASP A 48 -2.901 1.388 12.053 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.802 0.286 12.081 1.00 0.00 O ATOM 0 H ASP A 48 -1.196 -2.180 9.379 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.096 0.178 11.164 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.254 -0.234 9.689 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.570 -1.522 10.836 1.00 0.00 H new ATOM 717 N GLN A 49 -1.397 -1.301 13.254 1.00 0.00 N ATOM 718 CA GLN A 49 -1.175 -2.153 14.416 1.00 0.00 C ATOM 719 C GLN A 49 -1.742 -3.550 14.183 1.00 0.00 C ATOM 720 O GLN A 49 -1.104 -4.551 14.508 1.00 0.00 O ATOM 721 CB GLN A 49 -1.812 -1.532 15.660 1.00 0.00 C ATOM 722 CG GLN A 49 -1.609 -2.355 16.923 1.00 0.00 C ATOM 723 CD GLN A 49 -0.264 -2.101 17.574 1.00 0.00 C ATOM 724 OE1 GLN A 49 0.772 -2.107 16.908 1.00 0.00 O ATOM 725 NE2 GLN A 49 -0.272 -1.877 18.883 1.00 0.00 N ATOM 0 H GLN A 49 -1.630 -0.334 13.479 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.100 -2.238 14.572 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.394 -0.537 15.814 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.881 -1.406 15.486 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.402 -2.124 17.634 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.697 -3.414 16.680 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.154 -1.881 19.396 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.604 -1.701 19.376 1.00 0.00 H new ATOM 734 N SER A 50 -2.944 -3.609 13.619 1.00 0.00 N ATOM 735 CA SER A 50 -3.599 -4.883 13.346 1.00 0.00 C ATOM 736 C SER A 50 -2.717 -5.771 12.475 1.00 0.00 C ATOM 737 O SER A 50 -2.176 -6.774 12.939 1.00 0.00 O ATOM 738 CB SER A 50 -4.946 -4.651 12.659 1.00 0.00 C ATOM 739 OG SER A 50 -5.827 -3.924 13.497 1.00 0.00 O ATOM 0 H SER A 50 -3.484 -2.789 13.342 1.00 0.00 H new ATOM 0 HA SER A 50 -3.767 -5.389 14.297 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.793 -4.107 11.727 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.395 -5.610 12.399 1.00 0.00 H new ATOM 0 HG SER A 50 -6.680 -3.787 13.035 1.00 0.00 H new ATOM 745 N ALA A 51 -2.577 -5.395 11.208 1.00 0.00 N ATOM 746 CA ALA A 51 -1.759 -6.156 10.271 1.00 0.00 C ATOM 747 C ALA A 51 -0.402 -6.496 10.877 1.00 0.00 C ATOM 748 O ALA A 51 0.003 -7.658 10.902 1.00 0.00 O ATOM 749 CB ALA A 51 -1.581 -5.378 8.975 1.00 0.00 C ATOM 0 H ALA A 51 -3.019 -4.568 10.807 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.274 -7.092 10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.968 -5.957 8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.556 -5.191 8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.090 -4.428 9.186 1.00 0.00 H new ATOM 755 N ARG A 52 0.296 -5.476 11.364 1.00 0.00 N ATOM 756 CA ARG A 52 1.609 -5.667 11.969 1.00 0.00 C ATOM 757 C ARG A 52 1.669 -6.988 12.731 1.00 0.00 C ATOM 758 O ARG A 52 2.649 -7.726 12.638 1.00 0.00 O ATOM 759 CB ARG A 52 1.935 -4.507 12.911 1.00 0.00 C ATOM 760 CG ARG A 52 2.043 -3.164 12.208 1.00 0.00 C ATOM 761 CD ARG A 52 3.346 -3.045 11.432 1.00 0.00 C ATOM 762 NE ARG A 52 4.513 -3.168 12.301 1.00 0.00 N ATOM 763 CZ ARG A 52 4.867 -2.248 13.191 1.00 0.00 C ATOM 764 NH1 ARG A 52 4.148 -1.143 13.330 1.00 0.00 N ATOM 765 NH2 ARG A 52 5.943 -2.433 13.946 1.00 0.00 N ATOM 0 H ARG A 52 -0.026 -4.508 11.352 1.00 0.00 H new ATOM 0 HA ARG A 52 2.349 -5.694 11.169 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.163 -4.445 13.678 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.875 -4.717 13.421 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.200 -3.039 11.528 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.981 -2.361 12.943 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.383 -3.818 10.664 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.376 -2.084 10.919 1.00 0.00 H new ATOM 0 HE ARG A 52 5.088 -4.007 12.220 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.320 -0.997 12.752 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.423 -0.439 14.015 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.499 -3.282 13.843 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.214 -1.726 14.629 1.00 0.00 H new ATOM 779 N ALA A 53 0.613 -7.278 13.485 1.00 0.00 N ATOM 780 CA ALA A 53 0.545 -8.510 14.262 1.00 0.00 C ATOM 781 C ALA A 53 0.592 -9.735 13.355 1.00 0.00 C ATOM 782 O ALA A 53 1.499 -10.560 13.457 1.00 0.00 O ATOM 783 CB ALA A 53 -0.716 -8.528 15.112 1.00 0.00 C ATOM 0 H ALA A 53 -0.206 -6.677 13.574 1.00 0.00 H new ATOM 0 HA ALA A 53 1.414 -8.544 14.919 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.754 -9.453 15.687 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.708 -7.677 15.794 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.591 -8.466 14.466 1.00 0.00 H new ATOM 789 N ARG A 54 -0.391 -9.846 12.468 1.00 0.00 N ATOM 790 CA ARG A 54 -0.463 -10.972 11.544 1.00 0.00 C ATOM 791 C ARG A 54 0.843 -11.123 10.769 1.00 0.00 C ATOM 792 O ARG A 54 1.468 -12.184 10.786 1.00 0.00 O ATOM 793 CB ARG A 54 -1.628 -10.786 10.570 1.00 0.00 C ATOM 794 CG ARG A 54 -1.772 -11.921 9.570 1.00 0.00 C ATOM 795 CD ARG A 54 -2.667 -13.028 10.107 1.00 0.00 C ATOM 796 NE ARG A 54 -3.061 -13.969 9.063 1.00 0.00 N ATOM 797 CZ ARG A 54 -2.285 -14.958 8.634 1.00 0.00 C ATOM 798 NH1 ARG A 54 -1.080 -15.135 9.159 1.00 0.00 N ATOM 799 NH2 ARG A 54 -2.714 -15.774 7.680 1.00 0.00 N ATOM 0 H ARG A 54 -1.149 -9.170 12.369 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.627 -11.878 12.127 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.554 -10.693 11.138 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.492 -9.850 10.028 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.187 -11.536 8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.788 -12.328 9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.145 -13.564 10.899 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.559 -12.588 10.554 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.983 -13.861 8.640 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.747 -14.511 9.894 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.486 -15.895 8.828 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.641 -15.642 7.275 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.117 -16.533 7.352 1.00 0.00 H new ATOM 813 N LEU A 55 1.249 -10.055 10.091 1.00 0.00 N ATOM 814 CA LEU A 55 2.480 -10.069 9.308 1.00 0.00 C ATOM 815 C LEU A 55 3.648 -10.589 10.140 1.00 0.00 C ATOM 816 O LEU A 55 4.334 -11.531 9.744 1.00 0.00 O ATOM 817 CB LEU A 55 2.794 -8.664 8.791 1.00 0.00 C ATOM 818 CG LEU A 55 4.153 -8.486 8.114 1.00 0.00 C ATOM 819 CD1 LEU A 55 4.068 -8.853 6.641 1.00 0.00 C ATOM 820 CD2 LEU A 55 4.650 -7.058 8.282 1.00 0.00 C ATOM 0 H LEU A 55 0.744 -9.169 10.068 1.00 0.00 H new ATOM 0 HA LEU A 55 2.335 -10.738 8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.017 -8.377 8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.734 -7.969 9.628 1.00 0.00 H new ATOM 0 HG LEU A 55 4.866 -9.156 8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.045 -8.720 6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.758 -9.893 6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.340 -8.209 6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.619 -6.950 7.794 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.937 -6.369 7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.751 -6.830 9.343 1.00 0.00 H new ATOM 832 N SER A 56 3.866 -9.971 11.296 1.00 0.00 N ATOM 833 CA SER A 56 4.952 -10.370 12.184 1.00 0.00 C ATOM 834 C SER A 56 4.827 -11.842 12.567 1.00 0.00 C ATOM 835 O SER A 56 5.822 -12.561 12.642 1.00 0.00 O ATOM 836 CB SER A 56 4.955 -9.502 13.444 1.00 0.00 C ATOM 837 OG SER A 56 5.420 -8.194 13.161 1.00 0.00 O ATOM 0 H SER A 56 3.305 -9.192 11.640 1.00 0.00 H new ATOM 0 HA SER A 56 5.893 -10.229 11.653 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.948 -9.452 13.857 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.588 -9.960 14.204 1.00 0.00 H new ATOM 0 HG SER A 56 4.662 -7.624 12.915 1.00 0.00 H new ATOM 843 N ASN A 57 3.596 -12.282 12.807 1.00 0.00 N ATOM 844 CA ASN A 57 3.339 -13.667 13.183 1.00 0.00 C ATOM 845 C ASN A 57 3.829 -14.624 12.100 1.00 0.00 C ATOM 846 O ASN A 57 4.261 -15.740 12.392 1.00 0.00 O ATOM 847 CB ASN A 57 1.845 -13.882 13.432 1.00 0.00 C ATOM 848 CG ASN A 57 1.443 -13.552 14.856 1.00 0.00 C ATOM 849 OD1 ASN A 57 1.803 -12.502 15.388 1.00 0.00 O ATOM 850 ND2 ASN A 57 0.692 -14.451 15.482 1.00 0.00 N ATOM 0 H ASN A 57 2.761 -11.699 12.748 1.00 0.00 H new ATOM 0 HA ASN A 57 3.886 -13.875 14.102 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.272 -13.262 12.743 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.589 -14.919 13.216 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.391 -14.284 16.442 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.417 -15.308 15.003 1.00 0.00 H new ATOM 857 N LEU A 58 3.758 -14.180 10.850 1.00 0.00 N ATOM 858 CA LEU A 58 4.194 -14.996 9.723 1.00 0.00 C ATOM 859 C LEU A 58 5.717 -15.037 9.637 1.00 0.00 C ATOM 860 O LEU A 58 6.293 -15.993 9.119 1.00 0.00 O ATOM 861 CB LEU A 58 3.613 -14.450 8.417 1.00 0.00 C ATOM 862 CG LEU A 58 3.563 -15.428 7.243 1.00 0.00 C ATOM 863 CD1 LEU A 58 2.574 -16.548 7.524 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.198 -14.701 5.958 1.00 0.00 C ATOM 0 H LEU A 58 3.403 -13.259 10.592 1.00 0.00 H new ATOM 0 HA LEU A 58 3.830 -16.011 9.879 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.601 -14.097 8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.200 -13.583 8.116 1.00 0.00 H new ATOM 0 HG LEU A 58 4.553 -15.868 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.552 -17.234 6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.880 -17.087 8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.580 -16.126 7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.167 -15.413 5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.220 -14.233 6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.945 -13.935 5.748 1.00 0.00 H new ATOM 876 N ALA A 59 6.361 -13.995 10.150 1.00 0.00 N ATOM 877 CA ALA A 59 7.817 -13.914 10.136 1.00 0.00 C ATOM 878 C ALA A 59 8.435 -14.986 11.027 1.00 0.00 C ATOM 879 O ALA A 59 9.655 -15.148 11.065 1.00 0.00 O ATOM 880 CB ALA A 59 8.273 -12.531 10.576 1.00 0.00 C ATOM 0 H ALA A 59 5.898 -13.195 10.581 1.00 0.00 H new ATOM 0 HA ALA A 59 8.156 -14.088 9.115 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.362 -12.485 10.561 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.869 -11.781 9.896 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.916 -12.335 11.587 1.00 0.00 H new ATOM 886 N LEU A 60 7.586 -15.715 11.743 1.00 0.00 N ATOM 887 CA LEU A 60 8.050 -16.772 12.635 1.00 0.00 C ATOM 888 C LEU A 60 7.923 -18.140 11.971 1.00 0.00 C ATOM 889 O LEU A 60 8.924 -18.802 11.694 1.00 0.00 O ATOM 890 CB LEU A 60 7.252 -16.751 13.940 1.00 0.00 C ATOM 891 CG LEU A 60 7.214 -15.414 14.682 1.00 0.00 C ATOM 892 CD1 LEU A 60 6.101 -15.410 15.718 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.558 -15.130 15.338 1.00 0.00 C ATOM 0 H LEU A 60 6.573 -15.594 11.723 1.00 0.00 H new ATOM 0 HA LEU A 60 9.102 -16.592 12.856 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.227 -17.051 13.721 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.669 -17.504 14.609 1.00 0.00 H new ATOM 0 HG LEU A 60 7.011 -14.624 13.959 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.089 -14.451 16.236 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.143 -15.567 15.223 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.272 -16.209 16.439 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.513 -14.175 15.861 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.791 -15.923 16.049 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.334 -15.089 14.574 1.00 0.00 H new ATOM 905 N VAL A 61 6.687 -18.556 11.715 1.00 0.00 N ATOM 906 CA VAL A 61 6.430 -19.843 11.080 1.00 0.00 C ATOM 907 C VAL A 61 7.150 -19.949 9.741 1.00 0.00 C ATOM 908 O VAL A 61 7.517 -21.040 9.305 1.00 0.00 O ATOM 909 CB VAL A 61 4.922 -20.068 10.860 1.00 0.00 C ATOM 910 CG1 VAL A 61 4.362 -19.030 9.899 1.00 0.00 C ATOM 911 CG2 VAL A 61 4.664 -21.477 10.346 1.00 0.00 C ATOM 0 H VAL A 61 5.848 -18.020 11.938 1.00 0.00 H new ATOM 0 HA VAL A 61 6.810 -20.611 11.754 1.00 0.00 H new ATOM 0 HB VAL A 61 4.411 -19.955 11.816 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.296 -19.205 9.756 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.514 -18.033 10.312 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.875 -19.108 8.940 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.594 -21.619 10.196 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.185 -21.620 9.400 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.028 -22.202 11.074 1.00 0.00 H new ATOM 921 N LYS A 62 7.349 -18.807 9.091 1.00 0.00 N ATOM 922 CA LYS A 62 8.027 -18.769 7.801 1.00 0.00 C ATOM 923 C LYS A 62 8.265 -17.330 7.354 1.00 0.00 C ATOM 924 O LYS A 62 7.351 -16.630 6.919 1.00 0.00 O ATOM 925 CB LYS A 62 7.204 -19.512 6.746 1.00 0.00 C ATOM 926 CG LYS A 62 5.715 -19.223 6.823 1.00 0.00 C ATOM 927 CD LYS A 62 5.024 -19.500 5.498 1.00 0.00 C ATOM 928 CE LYS A 62 3.566 -19.882 5.699 1.00 0.00 C ATOM 929 NZ LYS A 62 2.866 -20.099 4.402 1.00 0.00 N ATOM 0 H LYS A 62 7.050 -17.895 9.437 1.00 0.00 H new ATOM 0 HA LYS A 62 8.993 -19.262 7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.568 -19.240 5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.364 -20.584 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.265 -19.835 7.604 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.560 -18.182 7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.085 -18.616 4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.543 -20.304 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.508 -20.790 6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.058 -19.096 6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.875 -20.358 4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.899 -19.225 3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.335 -20.866 3.879 1.00 0.00 H new ATOM 943 N PRO A 63 9.523 -16.877 7.460 1.00 0.00 N ATOM 944 CA PRO A 63 9.911 -15.518 7.070 1.00 0.00 C ATOM 945 C PRO A 63 9.861 -15.312 5.560 1.00 0.00 C ATOM 946 O PRO A 63 9.544 -14.223 5.083 1.00 0.00 O ATOM 947 CB PRO A 63 11.350 -15.400 7.578 1.00 0.00 C ATOM 948 CG PRO A 63 11.852 -16.801 7.624 1.00 0.00 C ATOM 949 CD PRO A 63 10.664 -17.656 7.970 1.00 0.00 C ATOM 0 HA PRO A 63 9.236 -14.768 7.482 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.955 -14.784 6.913 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.385 -14.934 8.563 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.278 -17.095 6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.640 -16.909 8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.724 -18.637 7.498 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.588 -17.823 9.044 1.00 0.00 H new ATOM 957 N GLU A 64 10.175 -16.366 4.813 1.00 0.00 N ATOM 958 CA GLU A 64 10.165 -16.299 3.356 1.00 0.00 C ATOM 959 C GLU A 64 8.872 -15.669 2.849 1.00 0.00 C ATOM 960 O GLU A 64 8.881 -14.579 2.276 1.00 0.00 O ATOM 961 CB GLU A 64 10.333 -17.698 2.758 1.00 0.00 C ATOM 962 CG GLU A 64 11.759 -18.218 2.818 1.00 0.00 C ATOM 963 CD GLU A 64 12.632 -17.657 1.713 1.00 0.00 C ATOM 964 OE1 GLU A 64 12.431 -18.046 0.543 1.00 0.00 O ATOM 965 OE2 GLU A 64 13.517 -16.830 2.016 1.00 0.00 O ATOM 0 H GLU A 64 10.439 -17.275 5.192 1.00 0.00 H new ATOM 0 HA GLU A 64 11.001 -15.674 3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.680 -18.391 3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.005 -17.682 1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.194 -17.963 3.784 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.748 -19.306 2.750 1.00 0.00 H new ATOM 972 N LYS A 65 7.759 -16.363 3.063 1.00 0.00 N ATOM 973 CA LYS A 65 6.456 -15.873 2.629 1.00 0.00 C ATOM 974 C LYS A 65 6.273 -14.406 3.004 1.00 0.00 C ATOM 975 O LYS A 65 5.740 -13.616 2.225 1.00 0.00 O ATOM 976 CB LYS A 65 5.339 -16.713 3.253 1.00 0.00 C ATOM 977 CG LYS A 65 3.944 -16.241 2.882 1.00 0.00 C ATOM 978 CD LYS A 65 3.620 -16.546 1.429 1.00 0.00 C ATOM 979 CE LYS A 65 2.346 -15.845 0.983 1.00 0.00 C ATOM 980 NZ LYS A 65 1.132 -16.648 1.295 1.00 0.00 N ATOM 0 H LYS A 65 7.733 -17.267 3.535 1.00 0.00 H new ATOM 0 HA LYS A 65 6.406 -15.961 1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.458 -17.750 2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.444 -16.693 4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.211 -16.725 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.864 -15.168 3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.450 -16.232 0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.509 -17.622 1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.275 -14.874 1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.391 -15.657 -0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.285 -16.136 0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.187 -17.565 0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.074 -16.806 2.321 1.00 0.00 H new ATOM 994 N THR A 66 6.721 -14.046 4.203 1.00 0.00 N ATOM 995 CA THR A 66 6.608 -12.674 4.681 1.00 0.00 C ATOM 996 C THR A 66 7.478 -11.731 3.858 1.00 0.00 C ATOM 997 O THR A 66 7.103 -10.587 3.603 1.00 0.00 O ATOM 998 CB THR A 66 7.009 -12.561 6.164 1.00 0.00 C ATOM 999 OG1 THR A 66 6.574 -13.723 6.879 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.404 -11.316 6.795 1.00 0.00 C ATOM 0 H THR A 66 7.166 -14.686 4.861 1.00 0.00 H new ATOM 0 HA THR A 66 5.562 -12.387 4.572 1.00 0.00 H new ATOM 0 HB THR A 66 8.095 -12.486 6.219 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.862 -14.170 6.375 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.701 -11.258 7.842 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.760 -10.431 6.267 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.317 -11.366 6.728 1.00 0.00 H new ATOM 1008 N LYS A 67 8.643 -12.218 3.445 1.00 0.00 N ATOM 1009 CA LYS A 67 9.567 -11.420 2.648 1.00 0.00 C ATOM 1010 C LYS A 67 8.875 -10.861 1.409 1.00 0.00 C ATOM 1011 O LYS A 67 8.972 -9.670 1.117 1.00 0.00 O ATOM 1012 CB LYS A 67 10.775 -12.264 2.233 1.00 0.00 C ATOM 1013 CG LYS A 67 11.780 -11.509 1.380 1.00 0.00 C ATOM 1014 CD LYS A 67 13.183 -12.070 1.544 1.00 0.00 C ATOM 1015 CE LYS A 67 14.179 -11.348 0.649 1.00 0.00 C ATOM 1016 NZ LYS A 67 14.455 -9.966 1.128 1.00 0.00 N ATOM 0 H LYS A 67 8.970 -13.162 3.649 1.00 0.00 H new ATOM 0 HA LYS A 67 9.907 -10.585 3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.275 -12.632 3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.426 -13.137 1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.485 -11.566 0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.774 -10.455 1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.494 -11.978 2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.181 -13.133 1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.111 -11.913 0.613 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.791 -11.309 -0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.188 -9.532 0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.584 -9.400 1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.786 -10.000 2.113 1.00 0.00 H new ATOM 1030 N ALA A 68 8.175 -11.729 0.686 1.00 0.00 N ATOM 1031 CA ALA A 68 7.463 -11.320 -0.519 1.00 0.00 C ATOM 1032 C ALA A 68 6.423 -10.251 -0.206 1.00 0.00 C ATOM 1033 O ALA A 68 6.499 -9.129 -0.708 1.00 0.00 O ATOM 1034 CB ALA A 68 6.805 -12.524 -1.177 1.00 0.00 C ATOM 0 H ALA A 68 8.086 -12.719 0.913 1.00 0.00 H new ATOM 0 HA ALA A 68 8.187 -10.892 -1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.277 -12.204 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.568 -13.254 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.098 -12.977 -0.482 1.00 0.00 H new ATOM 1040 N VAL A 69 5.449 -10.605 0.627 1.00 0.00 N ATOM 1041 CA VAL A 69 4.392 -9.675 1.007 1.00 0.00 C ATOM 1042 C VAL A 69 4.962 -8.297 1.327 1.00 0.00 C ATOM 1043 O VAL A 69 4.572 -7.299 0.723 1.00 0.00 O ATOM 1044 CB VAL A 69 3.605 -10.189 2.227 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.589 -9.152 2.683 1.00 0.00 C ATOM 1046 CG2 VAL A 69 2.923 -11.509 1.903 1.00 0.00 C ATOM 0 H VAL A 69 5.370 -11.529 1.051 1.00 0.00 H new ATOM 0 HA VAL A 69 3.717 -9.597 0.155 1.00 0.00 H new ATOM 0 HB VAL A 69 4.306 -10.359 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.043 -9.533 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.106 -8.233 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.890 -8.947 1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.372 -11.858 2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.233 -11.368 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.675 -12.249 1.629 1.00 0.00 H new ATOM 1056 N GLU A 70 5.887 -8.252 2.281 1.00 0.00 N ATOM 1057 CA GLU A 70 6.509 -6.996 2.681 1.00 0.00 C ATOM 1058 C GLU A 70 6.953 -6.195 1.460 1.00 0.00 C ATOM 1059 O GLU A 70 6.556 -5.045 1.282 1.00 0.00 O ATOM 1060 CB GLU A 70 7.709 -7.263 3.593 1.00 0.00 C ATOM 1061 CG GLU A 70 7.324 -7.584 5.027 1.00 0.00 C ATOM 1062 CD GLU A 70 8.513 -7.567 5.968 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.451 -6.779 5.725 1.00 0.00 O ATOM 1064 OE2 GLU A 70 8.505 -8.342 6.947 1.00 0.00 O ATOM 0 H GLU A 70 6.221 -9.070 2.790 1.00 0.00 H new ATOM 0 HA GLU A 70 5.769 -6.412 3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.286 -8.093 3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.360 -6.389 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.583 -6.862 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.852 -8.566 5.061 1.00 0.00 H new ATOM 1071 N ASN A 71 7.780 -6.813 0.623 1.00 0.00 N ATOM 1072 CA ASN A 71 8.279 -6.159 -0.581 1.00 0.00 C ATOM 1073 C ASN A 71 7.127 -5.733 -1.486 1.00 0.00 C ATOM 1074 O ASN A 71 7.201 -4.706 -2.161 1.00 0.00 O ATOM 1075 CB ASN A 71 9.221 -7.094 -1.342 1.00 0.00 C ATOM 1076 CG ASN A 71 10.640 -7.043 -0.810 1.00 0.00 C ATOM 1077 OD1 ASN A 71 11.206 -5.966 -0.624 1.00 0.00 O ATOM 1078 ND2 ASN A 71 11.222 -8.211 -0.563 1.00 0.00 N ATOM 0 H ASN A 71 8.119 -7.766 0.756 1.00 0.00 H new ATOM 0 HA ASN A 71 8.829 -5.268 -0.278 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.847 -8.116 -1.275 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.222 -6.824 -2.398 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.176 -8.239 -0.204 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.715 -9.080 -0.732 1.00 0.00 H new ATOM 1085 N TYR A 72 6.063 -6.528 -1.494 1.00 0.00 N ATOM 1086 CA TYR A 72 4.896 -6.235 -2.317 1.00 0.00 C ATOM 1087 C TYR A 72 4.221 -4.944 -1.865 1.00 0.00 C ATOM 1088 O TYR A 72 3.634 -4.221 -2.671 1.00 0.00 O ATOM 1089 CB TYR A 72 3.898 -7.394 -2.256 1.00 0.00 C ATOM 1090 CG TYR A 72 2.702 -7.211 -3.162 1.00 0.00 C ATOM 1091 CD1 TYR A 72 2.801 -7.435 -4.530 1.00 0.00 C ATOM 1092 CD2 TYR A 72 1.472 -6.816 -2.650 1.00 0.00 C ATOM 1093 CE1 TYR A 72 1.710 -7.269 -5.362 1.00 0.00 C ATOM 1094 CE2 TYR A 72 0.376 -6.648 -3.475 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.500 -6.876 -4.829 1.00 0.00 C ATOM 1096 OH TYR A 72 -0.589 -6.711 -5.654 1.00 0.00 O ATOM 0 H TYR A 72 5.985 -7.381 -0.940 1.00 0.00 H new ATOM 0 HA TYR A 72 5.232 -6.107 -3.346 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.410 -8.318 -2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.551 -7.510 -1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.747 -7.744 -4.950 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.371 -6.637 -1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.804 -7.446 -6.423 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.573 -6.340 -3.061 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.363 -6.433 -5.122 1.00 0.00 H new ATOM 1106 N LEU A 73 4.308 -4.661 -0.570 1.00 0.00 N ATOM 1107 CA LEU A 73 3.707 -3.456 -0.009 1.00 0.00 C ATOM 1108 C LEU A 73 4.546 -2.225 -0.337 1.00 0.00 C ATOM 1109 O LEU A 73 4.075 -1.301 -1.001 1.00 0.00 O ATOM 1110 CB LEU A 73 3.558 -3.596 1.508 1.00 0.00 C ATOM 1111 CG LEU A 73 2.654 -4.730 1.991 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.954 -5.069 3.443 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.190 -4.354 1.821 1.00 0.00 C ATOM 0 H LEU A 73 4.789 -5.249 0.111 1.00 0.00 H new ATOM 0 HA LEU A 73 2.721 -3.330 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.549 -3.740 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.172 -2.657 1.903 1.00 0.00 H new ATOM 0 HG LEU A 73 2.854 -5.613 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.301 -5.878 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.994 -5.382 3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.782 -4.190 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.561 -5.173 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.975 -3.458 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.984 -4.161 0.768 1.00 0.00 H new ATOM 1125 N ILE A 74 5.789 -2.221 0.130 1.00 0.00 N ATOM 1126 CA ILE A 74 6.694 -1.105 -0.117 1.00 0.00 C ATOM 1127 C ILE A 74 6.477 -0.519 -1.508 1.00 0.00 C ATOM 1128 O ILE A 74 6.290 0.687 -1.662 1.00 0.00 O ATOM 1129 CB ILE A 74 8.167 -1.532 0.024 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.533 -1.700 1.500 1.00 0.00 C ATOM 1131 CG2 ILE A 74 9.080 -0.514 -0.642 1.00 0.00 C ATOM 1132 CD1 ILE A 74 8.202 -3.068 2.053 1.00 0.00 C ATOM 0 H ILE A 74 6.193 -2.978 0.682 1.00 0.00 H new ATOM 0 HA ILE A 74 6.471 -0.346 0.633 1.00 0.00 H new ATOM 0 HB ILE A 74 8.301 -2.492 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.600 -1.515 1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.008 -0.944 2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.118 -0.830 -0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.832 -0.440 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.946 0.459 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.489 -3.115 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.131 -3.248 1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.747 -3.828 1.494 1.00 0.00 H new ATOM 1144 N GLN A 75 6.502 -1.383 -2.518 1.00 0.00 N ATOM 1145 CA GLN A 75 6.307 -0.951 -3.897 1.00 0.00 C ATOM 1146 C GLN A 75 4.972 -0.232 -4.059 1.00 0.00 C ATOM 1147 O GLN A 75 4.903 0.844 -4.653 1.00 0.00 O ATOM 1148 CB GLN A 75 6.371 -2.151 -4.844 1.00 0.00 C ATOM 1149 CG GLN A 75 7.624 -2.995 -4.672 1.00 0.00 C ATOM 1150 CD GLN A 75 8.783 -2.496 -5.511 1.00 0.00 C ATOM 1151 OE1 GLN A 75 8.796 -2.657 -6.732 1.00 0.00 O ATOM 1152 NE2 GLN A 75 9.767 -1.887 -4.860 1.00 0.00 N ATOM 0 H GLN A 75 6.655 -2.385 -2.407 1.00 0.00 H new ATOM 0 HA GLN A 75 7.107 -0.255 -4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.495 -2.779 -4.682 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.321 -1.795 -5.873 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.915 -2.997 -3.622 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.402 -4.027 -4.943 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.716 -1.775 -3.847 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.574 -1.531 -5.372 1.00 0.00 H new ATOM 1161 N MET A 76 3.914 -0.833 -3.526 1.00 0.00 N ATOM 1162 CA MET A 76 2.580 -0.248 -3.610 1.00 0.00 C ATOM 1163 C MET A 76 2.560 1.150 -3.001 1.00 0.00 C ATOM 1164 O MET A 76 1.803 2.017 -3.438 1.00 0.00 O ATOM 1165 CB MET A 76 1.562 -1.142 -2.899 1.00 0.00 C ATOM 1166 CG MET A 76 1.323 -2.469 -3.602 1.00 0.00 C ATOM 1167 SD MET A 76 0.856 -3.784 -2.461 1.00 0.00 S ATOM 1168 CE MET A 76 -0.294 -2.916 -1.396 1.00 0.00 C ATOM 0 H MET A 76 3.954 -1.724 -3.031 1.00 0.00 H new ATOM 0 HA MET A 76 2.310 -0.170 -4.663 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.907 -1.335 -1.883 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.616 -0.608 -2.818 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.538 -2.345 -4.348 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.227 -2.761 -4.136 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.018 -3.622 -0.990 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.252 -2.446 -0.578 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.816 -2.151 -1.971 1.00 0.00 H new ATOM 1178 N ALA A 77 3.395 1.362 -1.989 1.00 0.00 N ATOM 1179 CA ALA A 77 3.474 2.655 -1.322 1.00 0.00 C ATOM 1180 C ALA A 77 4.149 3.693 -2.212 1.00 0.00 C ATOM 1181 O ALA A 77 3.607 4.774 -2.442 1.00 0.00 O ATOM 1182 CB ALA A 77 4.220 2.524 -0.002 1.00 0.00 C ATOM 0 H ALA A 77 4.026 0.654 -1.613 1.00 0.00 H new ATOM 0 HA ALA A 77 2.458 2.994 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.271 3.498 0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.694 1.822 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.230 2.158 -0.189 1.00 0.00 H new ATOM 1188 N ARG A 78 5.335 3.357 -2.710 1.00 0.00 N ATOM 1189 CA ARG A 78 6.085 4.261 -3.574 1.00 0.00 C ATOM 1190 C ARG A 78 5.202 4.795 -4.698 1.00 0.00 C ATOM 1191 O ARG A 78 5.068 6.006 -4.873 1.00 0.00 O ATOM 1192 CB ARG A 78 7.302 3.545 -4.162 1.00 0.00 C ATOM 1193 CG ARG A 78 8.256 3.001 -3.111 1.00 0.00 C ATOM 1194 CD ARG A 78 9.380 2.195 -3.743 1.00 0.00 C ATOM 1195 NE ARG A 78 10.202 3.009 -4.635 1.00 0.00 N ATOM 1196 CZ ARG A 78 11.258 2.541 -5.292 1.00 0.00 C ATOM 1197 NH1 ARG A 78 11.618 1.272 -5.157 1.00 0.00 N ATOM 1198 NH2 ARG A 78 11.956 3.343 -6.085 1.00 0.00 N ATOM 0 H ARG A 78 5.797 2.466 -2.530 1.00 0.00 H new ATOM 0 HA ARG A 78 6.424 5.103 -2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.960 2.723 -4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.843 4.237 -4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.677 3.827 -2.538 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.707 2.373 -2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.007 1.770 -2.959 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.958 1.359 -4.301 1.00 0.00 H new ATOM 0 HE ARG A 78 9.952 3.990 -4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.084 0.652 -4.548 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.429 0.915 -5.663 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.682 4.320 -6.191 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.766 2.983 -6.589 1.00 0.00 H new ATOM 1212 N TYR A 79 4.604 3.884 -5.457 1.00 0.00 N ATOM 1213 CA TYR A 79 3.737 4.263 -6.566 1.00 0.00 C ATOM 1214 C TYR A 79 2.682 5.268 -6.114 1.00 0.00 C ATOM 1215 O TYR A 79 2.468 6.294 -6.759 1.00 0.00 O ATOM 1216 CB TYR A 79 3.059 3.026 -7.157 1.00 0.00 C ATOM 1217 CG TYR A 79 3.945 2.242 -8.100 1.00 0.00 C ATOM 1218 CD1 TYR A 79 5.113 1.642 -7.649 1.00 0.00 C ATOM 1219 CD2 TYR A 79 3.612 2.102 -9.442 1.00 0.00 C ATOM 1220 CE1 TYR A 79 5.926 0.926 -8.507 1.00 0.00 C ATOM 1221 CE2 TYR A 79 4.417 1.387 -10.306 1.00 0.00 C ATOM 1222 CZ TYR A 79 5.573 0.801 -9.834 1.00 0.00 C ATOM 1223 OH TYR A 79 6.379 0.087 -10.692 1.00 0.00 O ATOM 0 H TYR A 79 4.704 2.878 -5.325 1.00 0.00 H new ATOM 0 HA TYR A 79 4.354 4.732 -7.332 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.740 2.373 -6.344 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.159 3.335 -7.689 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.391 1.736 -6.610 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.708 2.560 -9.815 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.832 0.467 -8.140 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.143 1.287 -11.346 1.00 0.00 H new ATOM 0 HH TYR A 79 5.988 0.094 -11.590 1.00 0.00 H new ATOM 1233 N GLY A 80 2.024 4.964 -4.999 1.00 0.00 N ATOM 1234 CA GLY A 80 0.999 5.850 -4.478 1.00 0.00 C ATOM 1235 C GLY A 80 -0.397 5.284 -4.647 1.00 0.00 C ATOM 1236 O GLY A 80 -1.336 6.015 -4.958 1.00 0.00 O ATOM 0 H GLY A 80 2.182 4.121 -4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.187 6.036 -3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.062 6.812 -4.987 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.533 3.977 -4.444 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.824 3.314 -4.578 1.00 0.00 C ATOM 1242 C GLN A 81 -2.525 3.208 -3.228 1.00 0.00 C ATOM 1243 O GLN A 81 -3.739 3.391 -3.131 1.00 0.00 O ATOM 1244 CB GLN A 81 -1.645 1.921 -5.184 1.00 0.00 C ATOM 1245 CG GLN A 81 -1.166 1.942 -6.627 1.00 0.00 C ATOM 1246 CD GLN A 81 -2.017 2.832 -7.511 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -3.231 2.651 -7.609 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -1.383 3.801 -8.161 1.00 0.00 N ATOM 0 H GLN A 81 0.235 3.357 -4.186 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.445 3.915 -5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.931 1.361 -4.581 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.594 1.387 -5.133 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.133 2.287 -6.658 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.175 0.927 -7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.375 3.915 -8.050 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.904 4.431 -8.771 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.753 2.910 -2.189 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.300 2.779 -0.842 1.00 0.00 C ATOM 1259 C LEU A 82 -2.800 4.123 -0.324 1.00 0.00 C ATOM 1260 O LEU A 82 -2.219 5.168 -0.618 1.00 0.00 O ATOM 1261 CB LEU A 82 -1.241 2.215 0.107 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.694 0.831 -0.243 1.00 0.00 C ATOM 1263 CD1 LEU A 82 0.739 0.684 0.244 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.576 -0.257 0.352 1.00 0.00 C ATOM 0 H LEU A 82 -0.747 2.754 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.144 2.091 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.406 2.915 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.666 2.172 1.110 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.700 0.723 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.111 -0.307 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.364 1.441 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.771 0.813 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.172 -1.235 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.603 -0.151 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.586 -0.165 -0.047 1.00 0.00 H new ATOM 1276 N SER A 83 -3.880 4.089 0.450 1.00 0.00 N ATOM 1277 CA SER A 83 -4.459 5.305 1.008 1.00 0.00 C ATOM 1278 C SER A 83 -4.335 5.318 2.529 1.00 0.00 C ATOM 1279 O SER A 83 -3.704 6.204 3.103 1.00 0.00 O ATOM 1280 CB SER A 83 -5.930 5.427 0.604 1.00 0.00 C ATOM 1281 OG SER A 83 -6.056 5.771 -0.765 1.00 0.00 O ATOM 0 H SER A 83 -4.372 3.232 0.705 1.00 0.00 H new ATOM 0 HA SER A 83 -3.908 6.156 0.609 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.442 4.484 0.794 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.418 6.184 1.219 1.00 0.00 H new ATOM 0 HG SER A 83 -7.005 5.841 -0.999 1.00 0.00 H new ATOM 1287 N GLU A 84 -4.943 4.327 3.174 1.00 0.00 N ATOM 1288 CA GLU A 84 -4.901 4.224 4.628 1.00 0.00 C ATOM 1289 C GLU A 84 -4.034 3.047 5.066 1.00 0.00 C ATOM 1290 O GLU A 84 -3.609 2.235 4.244 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.315 4.068 5.191 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.079 5.377 5.290 1.00 0.00 C ATOM 1293 CD GLU A 84 -7.855 5.697 4.027 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -8.311 4.748 3.355 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -8.007 6.895 3.710 1.00 0.00 O ATOM 0 H GLU A 84 -5.470 3.585 2.713 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.461 5.141 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.874 3.378 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.255 3.617 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.768 5.328 6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.379 6.187 5.497 1.00 0.00 H new ATOM 1302 N LYS A 85 -3.776 2.961 6.366 1.00 0.00 N ATOM 1303 CA LYS A 85 -2.961 1.884 6.916 1.00 0.00 C ATOM 1304 C LYS A 85 -3.689 0.548 6.819 1.00 0.00 C ATOM 1305 O LYS A 85 -4.728 0.348 7.450 1.00 0.00 O ATOM 1306 CB LYS A 85 -2.605 2.180 8.375 1.00 0.00 C ATOM 1307 CG LYS A 85 -1.816 3.464 8.560 1.00 0.00 C ATOM 1308 CD LYS A 85 -1.496 3.715 10.024 1.00 0.00 C ATOM 1309 CE LYS A 85 -0.697 4.996 10.208 1.00 0.00 C ATOM 1310 NZ LYS A 85 -1.581 6.180 10.390 1.00 0.00 N ATOM 0 H LYS A 85 -4.120 3.625 7.060 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.043 1.821 6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.523 2.240 8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.027 1.347 8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.890 3.409 7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.386 4.303 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.423 3.778 10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.932 2.872 10.424 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.043 4.895 11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.056 5.152 9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.998 7.033 10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.188 6.292 9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.175 6.043 11.232 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.137 -0.366 6.027 1.00 0.00 N ATOM 1325 CA VAL A 86 -3.733 -1.685 5.851 1.00 0.00 C ATOM 1326 C VAL A 86 -3.761 -2.456 7.166 1.00 0.00 C ATOM 1327 O VAL A 86 -2.729 -2.640 7.812 1.00 0.00 O ATOM 1328 CB VAL A 86 -2.967 -2.511 4.801 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.490 -3.939 4.759 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -3.069 -1.857 3.431 1.00 0.00 C ATOM 0 H VAL A 86 -2.278 -0.217 5.497 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.754 -1.527 5.504 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.915 -2.543 5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.937 -4.507 4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.360 -4.403 5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.548 -3.931 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.522 -2.454 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.116 -1.793 3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.642 -0.855 3.473 1.00 0.00 H new ATOM 1340 N SER A 87 -4.949 -2.906 7.557 1.00 0.00 N ATOM 1341 CA SER A 87 -5.113 -3.654 8.798 1.00 0.00 C ATOM 1342 C SER A 87 -5.123 -5.156 8.528 1.00 0.00 C ATOM 1343 O SER A 87 -5.019 -5.592 7.382 1.00 0.00 O ATOM 1344 CB SER A 87 -6.408 -3.242 9.500 1.00 0.00 C ATOM 1345 OG SER A 87 -6.242 -2.020 10.198 1.00 0.00 O ATOM 0 H SER A 87 -5.812 -2.766 7.032 1.00 0.00 H new ATOM 0 HA SER A 87 -4.268 -3.424 9.447 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.207 -3.140 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.713 -4.024 10.196 1.00 0.00 H new ATOM 0 HG SER A 87 -7.084 -1.777 10.637 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.248 -5.941 9.594 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.270 -7.394 9.473 1.00 0.00 C ATOM 1353 C GLU A 88 -6.018 -7.824 8.214 1.00 0.00 C ATOM 1354 O GLU A 88 -5.493 -8.577 7.395 1.00 0.00 O ATOM 1355 CB GLU A 88 -5.924 -8.021 10.706 1.00 0.00 C ATOM 1356 CG GLU A 88 -5.671 -9.513 10.837 1.00 0.00 C ATOM 1357 CD GLU A 88 -6.674 -10.198 11.745 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -7.877 -9.880 11.646 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -6.255 -11.052 12.554 1.00 0.00 O ATOM 0 H GLU A 88 -5.335 -5.595 10.550 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.240 -7.742 9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.553 -7.518 11.599 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.999 -7.846 10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.708 -9.972 9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.665 -9.674 11.226 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.247 -7.339 8.069 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.068 -7.674 6.911 1.00 0.00 C ATOM 1368 C GLN A 89 -7.351 -7.315 5.613 1.00 0.00 C ATOM 1369 O GLN A 89 -6.860 -8.190 4.901 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.411 -6.945 6.983 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.375 -7.546 7.994 1.00 0.00 C ATOM 1372 CD GLN A 89 -11.443 -6.565 8.436 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -11.924 -5.755 7.643 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -11.821 -6.633 9.707 1.00 0.00 N ATOM 0 H GLN A 89 -7.696 -6.713 8.738 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.245 -8.749 6.922 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.235 -5.900 7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.876 -6.959 5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.852 -8.424 7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.816 -7.886 8.866 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.396 -7.320 10.330 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.537 -5.998 10.061 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.295 -6.021 5.312 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.637 -5.569 4.100 1.00 0.00 C ATOM 1385 C GLY A 90 -5.403 -6.387 3.771 1.00 0.00 C ATOM 1386 O GLY A 90 -5.173 -6.739 2.614 1.00 0.00 O ATOM 0 H GLY A 90 -7.694 -5.278 5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.338 -5.624 3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.356 -4.522 4.212 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.606 -6.688 4.791 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.388 -7.468 4.604 1.00 0.00 C ATOM 1392 C LEU A 91 -3.708 -8.855 4.055 1.00 0.00 C ATOM 1393 O LEU A 91 -3.475 -9.136 2.879 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.632 -7.593 5.928 1.00 0.00 C ATOM 1395 CG LEU A 91 -1.365 -8.449 5.899 1.00 0.00 C ATOM 1396 CD1 LEU A 91 -0.150 -7.594 5.575 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -1.175 -9.166 7.228 1.00 0.00 C ATOM 0 H LEU A 91 -4.781 -6.404 5.755 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.760 -6.948 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.363 -6.592 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.310 -8.009 6.673 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.475 -9.199 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.742 -8.220 5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.283 -7.127 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.036 -6.821 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.269 -9.770 7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.087 -8.431 8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.033 -9.811 7.420 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.244 -9.716 4.913 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.599 -11.072 4.513 1.00 0.00 C ATOM 1411 C ILE A 92 -5.037 -11.117 3.053 1.00 0.00 C ATOM 1412 O ILE A 92 -4.673 -12.032 2.314 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.726 -11.642 5.393 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.160 -12.144 6.723 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -6.452 -12.763 4.664 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.206 -12.295 7.806 1.00 0.00 C ATOM 0 H ILE A 92 -4.442 -9.499 5.890 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.705 -11.683 4.641 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.442 -10.847 5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.674 -13.106 6.562 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.391 -11.452 7.066 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.246 -13.156 5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.884 -12.377 3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.747 -13.561 4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.734 -12.654 8.720 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.676 -11.330 7.995 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.963 -13.010 7.484 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.818 -10.122 2.644 1.00 0.00 N ATOM 1429 CA GLU A 93 -6.304 -10.048 1.271 1.00 0.00 C ATOM 1430 C GLU A 93 -5.143 -10.046 0.282 1.00 0.00 C ATOM 1431 O GLU A 93 -5.144 -10.795 -0.695 1.00 0.00 O ATOM 1432 CB GLU A 93 -7.158 -8.794 1.076 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.528 -8.882 1.728 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.578 -9.466 0.803 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -9.271 -10.459 0.109 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -10.705 -8.931 0.771 1.00 0.00 O ATOM 0 H GLU A 93 -6.127 -9.357 3.243 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.917 -10.929 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.625 -7.935 1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.284 -8.613 0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.460 -9.495 2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.841 -7.887 2.044 1.00 0.00 H new ATOM 1443 N ILE A 94 -4.154 -9.197 0.542 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.986 -9.097 -0.325 1.00 0.00 C ATOM 1445 C ILE A 94 -2.182 -10.393 -0.317 1.00 0.00 C ATOM 1446 O ILE A 94 -1.593 -10.777 -1.328 1.00 0.00 O ATOM 1447 CB ILE A 94 -2.069 -7.935 0.099 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.831 -6.609 0.045 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.837 -7.880 -0.792 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -2.115 -5.471 0.739 1.00 0.00 C ATOM 0 H ILE A 94 -4.138 -8.569 1.346 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.356 -8.909 -1.333 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.744 -8.104 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.000 -6.339 -0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.811 -6.744 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.199 -7.053 -0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.285 -8.816 -0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.143 -7.731 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.713 -4.563 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.969 -5.720 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.146 -5.309 0.267 1.00 0.00 H new ATOM 1462 N LEU A 95 -2.164 -11.064 0.830 1.00 0.00 N ATOM 1463 CA LEU A 95 -1.434 -12.319 0.970 1.00 0.00 C ATOM 1464 C LEU A 95 -1.911 -13.344 -0.054 1.00 0.00 C ATOM 1465 O LEU A 95 -1.143 -14.196 -0.500 1.00 0.00 O ATOM 1466 CB LEU A 95 -1.606 -12.877 2.384 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.819 -12.167 3.486 1.00 0.00 C ATOM 1468 CD1 LEU A 95 0.537 -12.827 3.684 1.00 0.00 C ATOM 1469 CD2 LEU A 95 -0.652 -10.691 3.156 1.00 0.00 C ATOM 0 H LEU A 95 -2.646 -10.760 1.676 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.378 -12.118 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.665 -12.841 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.315 -13.927 2.376 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.380 -12.250 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.083 -12.308 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.396 -13.870 3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.105 -12.776 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.090 -10.202 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.113 -10.587 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.633 -10.225 3.066 1.00 0.00 H new ATOM 1481 N LYS A 96 -3.184 -13.253 -0.426 1.00 0.00 N ATOM 1482 CA LYS A 96 -3.764 -14.169 -1.401 1.00 0.00 C ATOM 1483 C LYS A 96 -3.515 -13.679 -2.823 1.00 0.00 C ATOM 1484 O LYS A 96 -3.925 -14.318 -3.792 1.00 0.00 O ATOM 1485 CB LYS A 96 -5.267 -14.320 -1.158 1.00 0.00 C ATOM 1486 CG LYS A 96 -5.610 -15.313 -0.061 1.00 0.00 C ATOM 1487 CD LYS A 96 -5.683 -14.640 1.299 1.00 0.00 C ATOM 1488 CE LYS A 96 -6.698 -15.320 2.205 1.00 0.00 C ATOM 1489 NZ LYS A 96 -6.349 -16.746 2.455 1.00 0.00 N ATOM 0 H LYS A 96 -3.834 -12.554 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.283 -15.140 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.684 -13.347 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.746 -14.636 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.565 -15.788 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.860 -16.103 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.700 -14.663 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.952 -13.591 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.752 -14.787 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.687 -15.262 1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.984 -17.137 3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.454 -17.289 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.365 -16.810 2.786 1.00 0.00 H new ATOM 1503 N LYS A 97 -2.838 -12.541 -2.942 1.00 0.00 N ATOM 1504 CA LYS A 97 -2.531 -11.966 -4.246 1.00 0.00 C ATOM 1505 C LYS A 97 -1.084 -12.247 -4.638 1.00 0.00 C ATOM 1506 O LYS A 97 -0.819 -12.888 -5.655 1.00 0.00 O ATOM 1507 CB LYS A 97 -2.784 -10.457 -4.233 1.00 0.00 C ATOM 1508 CG LYS A 97 -4.233 -10.085 -3.969 1.00 0.00 C ATOM 1509 CD LYS A 97 -4.535 -8.666 -4.422 1.00 0.00 C ATOM 1510 CE LYS A 97 -4.133 -7.647 -3.368 1.00 0.00 C ATOM 1511 NZ LYS A 97 -4.375 -6.250 -3.825 1.00 0.00 N ATOM 0 H LYS A 97 -2.492 -11.999 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.185 -12.431 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.155 -9.998 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.479 -10.038 -5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.889 -10.782 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.446 -10.181 -2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.004 -8.459 -5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.600 -8.570 -4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.694 -7.832 -2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.078 -7.772 -3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.088 -5.586 -3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.820 -6.065 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.386 -6.123 -4.032 1.00 0.00 H new ATOM 1525 N VAL A 98 -0.151 -11.764 -3.823 1.00 0.00 N ATOM 1526 CA VAL A 98 1.269 -11.966 -4.083 1.00 0.00 C ATOM 1527 C VAL A 98 1.592 -13.446 -4.255 1.00 0.00 C ATOM 1528 O VAL A 98 2.407 -13.820 -5.098 1.00 0.00 O ATOM 1529 CB VAL A 98 2.135 -11.391 -2.946 1.00 0.00 C ATOM 1530 CG1 VAL A 98 1.610 -11.847 -1.593 1.00 0.00 C ATOM 1531 CG2 VAL A 98 3.590 -11.798 -3.127 1.00 0.00 C ATOM 0 H VAL A 98 -0.353 -11.230 -2.978 1.00 0.00 H new ATOM 0 HA VAL A 98 1.499 -11.438 -5.008 1.00 0.00 H new ATOM 0 HB VAL A 98 2.078 -10.303 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.234 -11.431 -0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.584 -11.501 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.635 -12.935 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.188 -11.383 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.668 -12.885 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.958 -11.417 -4.080 1.00 0.00 H new