USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=13 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 -165:sc=-0.00572 (180deg=-0.28) USER MOD Single : A 40 ASN : amide:sc= -0.0937 K(o=-0.094,f=-2!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.802 K(o=-0.8,f=-4.2!) USER MOD Single : A 49 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.97) USER MOD Single : A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc=-0.00674 K(o=-0.0067,f=-0.75) 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 -150:sc= 0.0588 USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0218) USER MOD Single : A 71 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.6!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 76 MET CE :methyl 162:sc= -1.09 (180deg=-1.88!) USER MOD Single : A 79 TYR OH : rot 30:sc= -0.142 USER MOD Single : A 81 GLN : amide:sc= -0.369 K(o=-0.37,f=-1) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 166:sc=-0.00758 (180deg=-0.122) 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) USER MOD Single : A 96 LYS NZ :NH3+ 160:sc= -0.0376 (180deg=-0.25) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 16.051 0.079 7.478 1.00 0.00 N ATOM 525 CA GLU A 37 15.499 1.192 8.240 1.00 0.00 C ATOM 526 C GLU A 37 14.395 1.895 7.454 1.00 0.00 C ATOM 527 O GLU A 37 13.276 2.051 7.941 1.00 0.00 O ATOM 528 CB GLU A 37 16.601 2.192 8.596 1.00 0.00 C ATOM 529 CG GLU A 37 17.678 1.615 9.500 1.00 0.00 C ATOM 530 CD GLU A 37 18.605 2.678 10.056 1.00 0.00 C ATOM 531 OE1 GLU A 37 18.099 3.704 10.556 1.00 0.00 O ATOM 532 OE2 GLU A 37 19.837 2.483 9.990 1.00 0.00 O ATOM 0 HA GLU A 37 15.070 0.792 9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.064 2.552 7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.152 3.056 9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.207 1.082 10.326 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.263 0.884 8.941 1.00 0.00 H new ATOM 539 N MET A 38 14.720 2.316 6.236 1.00 0.00 N ATOM 540 CA MET A 38 13.756 3.001 5.383 1.00 0.00 C ATOM 541 C MET A 38 12.516 2.140 5.163 1.00 0.00 C ATOM 542 O MET A 38 11.390 2.591 5.377 1.00 0.00 O ATOM 543 CB MET A 38 14.393 3.350 4.036 1.00 0.00 C ATOM 544 CG MET A 38 15.018 2.157 3.332 1.00 0.00 C ATOM 545 SD MET A 38 16.249 2.641 2.107 1.00 0.00 S ATOM 546 CE MET A 38 15.334 3.863 1.171 1.00 0.00 C ATOM 0 H MET A 38 15.643 2.195 5.818 1.00 0.00 H new ATOM 0 HA MET A 38 13.454 3.921 5.884 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.634 3.788 3.387 1.00 0.00 H new ATOM 0 HB3 MET A 38 15.157 4.111 4.191 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.484 1.506 4.072 1.00 0.00 H new ATOM 0 HG3 MET A 38 14.235 1.576 2.845 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.848 4.061 0.231 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.332 3.487 0.964 1.00 0.00 H new ATOM 0 HE3 MET A 38 15.264 4.785 1.748 1.00 0.00 H new ATOM 556 N ARG A 39 12.730 0.900 4.736 1.00 0.00 N ATOM 557 CA ARG A 39 11.629 -0.023 4.487 1.00 0.00 C ATOM 558 C ARG A 39 10.752 -0.171 5.727 1.00 0.00 C ATOM 559 O ARG A 39 9.525 -0.175 5.635 1.00 0.00 O ATOM 560 CB ARG A 39 12.168 -1.391 4.064 1.00 0.00 C ATOM 561 CG ARG A 39 12.473 -2.313 5.232 1.00 0.00 C ATOM 562 CD ARG A 39 12.871 -3.702 4.757 1.00 0.00 C ATOM 563 NE ARG A 39 12.770 -4.695 5.823 1.00 0.00 N ATOM 564 CZ ARG A 39 13.259 -5.927 5.728 1.00 0.00 C ATOM 565 NH1 ARG A 39 13.881 -6.313 4.623 1.00 0.00 N ATOM 566 NH2 ARG A 39 13.128 -6.773 6.741 1.00 0.00 N ATOM 0 H ARG A 39 13.656 0.511 4.555 1.00 0.00 H new ATOM 0 HA ARG A 39 11.021 0.386 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.440 -1.873 3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 39 13.076 -1.249 3.478 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.278 -1.888 5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.598 -2.385 5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.232 -3.997 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.894 -3.677 4.381 1.00 0.00 H new ATOM 0 HE ARG A 39 12.299 -4.428 6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.985 -5.664 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.255 -7.259 4.553 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.652 -6.478 7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.503 -7.719 6.668 1.00 0.00 H new ATOM 580 N ASN A 40 11.391 -0.294 6.886 1.00 0.00 N ATOM 581 CA ASN A 40 10.670 -0.444 8.144 1.00 0.00 C ATOM 582 C ASN A 40 9.590 0.626 8.283 1.00 0.00 C ATOM 583 O ASN A 40 8.418 0.315 8.493 1.00 0.00 O ATOM 584 CB ASN A 40 11.639 -0.361 9.325 1.00 0.00 C ATOM 585 CG ASN A 40 12.241 -1.709 9.674 1.00 0.00 C ATOM 586 OD1 ASN A 40 11.915 -2.725 9.059 1.00 0.00 O ATOM 587 ND2 ASN A 40 13.124 -1.724 10.665 1.00 0.00 N ATOM 0 H ASN A 40 12.407 -0.293 6.980 1.00 0.00 H new ATOM 0 HA ASN A 40 10.190 -1.423 8.144 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.439 0.340 9.087 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.115 0.036 10.194 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.562 -2.602 10.944 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.364 -0.858 11.147 1.00 0.00 H new ATOM 594 N SER A 41 9.995 1.886 8.164 1.00 0.00 N ATOM 595 CA SER A 41 9.063 3.002 8.279 1.00 0.00 C ATOM 596 C SER A 41 7.991 2.928 7.196 1.00 0.00 C ATOM 597 O SER A 41 6.856 3.361 7.400 1.00 0.00 O ATOM 598 CB SER A 41 9.813 4.332 8.181 1.00 0.00 C ATOM 599 OG SER A 41 10.449 4.650 9.406 1.00 0.00 O ATOM 0 H SER A 41 10.962 2.160 7.988 1.00 0.00 H new ATOM 0 HA SER A 41 8.576 2.939 9.252 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.556 4.276 7.386 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.117 5.127 7.912 1.00 0.00 H new ATOM 0 HG SER A 41 10.923 5.503 9.317 1.00 0.00 H new ATOM 605 N ILE A 42 8.359 2.377 6.044 1.00 0.00 N ATOM 606 CA ILE A 42 7.429 2.246 4.929 1.00 0.00 C ATOM 607 C ILE A 42 6.391 1.163 5.204 1.00 0.00 C ATOM 608 O ILE A 42 5.222 1.301 4.839 1.00 0.00 O ATOM 609 CB ILE A 42 8.166 1.913 3.618 1.00 0.00 C ATOM 610 CG1 ILE A 42 9.078 3.073 3.213 1.00 0.00 C ATOM 611 CG2 ILE A 42 7.167 1.606 2.513 1.00 0.00 C ATOM 612 CD1 ILE A 42 10.249 2.648 2.354 1.00 0.00 C ATOM 0 H ILE A 42 9.294 2.014 5.858 1.00 0.00 H new ATOM 0 HA ILE A 42 6.928 3.208 4.821 1.00 0.00 H new ATOM 0 HB ILE A 42 8.783 1.029 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.491 3.815 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.455 3.560 4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.703 1.373 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.555 0.752 2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.527 2.473 2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.853 3.521 2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.859 1.929 2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.880 2.188 1.437 1.00 0.00 H new ATOM 624 N LEU A 43 6.823 0.087 5.852 1.00 0.00 N ATOM 625 CA LEU A 43 5.931 -1.019 6.178 1.00 0.00 C ATOM 626 C LEU A 43 5.081 -0.691 7.402 1.00 0.00 C ATOM 627 O LEU A 43 3.969 -1.195 7.551 1.00 0.00 O ATOM 628 CB LEU A 43 6.738 -2.294 6.431 1.00 0.00 C ATOM 629 CG LEU A 43 7.566 -2.808 5.253 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.605 -3.812 5.729 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.664 -3.431 4.198 1.00 0.00 C ATOM 0 H LEU A 43 7.786 -0.043 6.162 1.00 0.00 H new ATOM 0 HA LEU A 43 5.266 -1.179 5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.410 -2.115 7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.049 -3.082 6.736 1.00 0.00 H new ATOM 0 HG LEU A 43 8.087 -1.962 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.185 -4.167 4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.271 -3.334 6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.105 -4.656 6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.271 -3.791 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.115 -4.265 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.959 -2.683 3.835 1.00 0.00 H new ATOM 643 N ALA A 44 5.613 0.160 8.274 1.00 0.00 N ATOM 644 CA ALA A 44 4.902 0.559 9.482 1.00 0.00 C ATOM 645 C ALA A 44 3.805 1.569 9.165 1.00 0.00 C ATOM 646 O ALA A 44 2.782 1.623 9.848 1.00 0.00 O ATOM 647 CB ALA A 44 5.875 1.136 10.500 1.00 0.00 C ATOM 0 H ALA A 44 6.534 0.586 8.166 1.00 0.00 H new ATOM 0 HA ALA A 44 4.431 -0.328 9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.331 1.430 11.397 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.620 0.384 10.758 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.372 2.008 10.075 1.00 0.00 H new ATOM 653 N GLN A 45 4.024 2.368 8.126 1.00 0.00 N ATOM 654 CA GLN A 45 3.054 3.378 7.720 1.00 0.00 C ATOM 655 C GLN A 45 1.964 2.765 6.846 1.00 0.00 C ATOM 656 O GLN A 45 0.792 3.125 6.954 1.00 0.00 O ATOM 657 CB GLN A 45 3.751 4.512 6.966 1.00 0.00 C ATOM 658 CG GLN A 45 4.261 4.106 5.593 1.00 0.00 C ATOM 659 CD GLN A 45 4.884 5.263 4.837 1.00 0.00 C ATOM 660 OE1 GLN A 45 6.100 5.314 4.650 1.00 0.00 O ATOM 661 NE2 GLN A 45 4.052 6.200 4.397 1.00 0.00 N ATOM 0 H GLN A 45 4.865 2.336 7.550 1.00 0.00 H new ATOM 0 HA GLN A 45 2.589 3.782 8.620 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.056 5.344 6.855 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.588 4.874 7.563 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.998 3.310 5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.436 3.697 5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.051 6.117 4.575 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.414 7.002 3.881 1.00 0.00 H new ATOM 670 N VAL A 46 2.359 1.836 5.981 1.00 0.00 N ATOM 671 CA VAL A 46 1.415 1.173 5.089 1.00 0.00 C ATOM 672 C VAL A 46 0.665 0.060 5.812 1.00 0.00 C ATOM 673 O VAL A 46 -0.372 -0.412 5.343 1.00 0.00 O ATOM 674 CB VAL A 46 2.128 0.581 3.858 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.847 1.672 3.081 1.00 0.00 C ATOM 676 CG2 VAL A 46 3.099 -0.512 4.280 1.00 0.00 C ATOM 0 H VAL A 46 3.325 1.526 5.879 1.00 0.00 H new ATOM 0 HA VAL A 46 0.705 1.931 4.759 1.00 0.00 H new ATOM 0 HB VAL A 46 1.378 0.137 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.345 1.235 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.125 2.417 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.588 2.148 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.594 -0.919 3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.846 -0.094 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.554 -1.306 4.789 1.00 0.00 H new ATOM 686 N LEU A 47 1.195 -0.356 6.957 1.00 0.00 N ATOM 687 CA LEU A 47 0.575 -1.414 7.747 1.00 0.00 C ATOM 688 C LEU A 47 0.217 -0.913 9.143 1.00 0.00 C ATOM 689 O LEU A 47 1.073 -0.414 9.873 1.00 0.00 O ATOM 690 CB LEU A 47 1.513 -2.617 7.850 1.00 0.00 C ATOM 691 CG LEU A 47 2.091 -3.133 6.532 1.00 0.00 C ATOM 692 CD1 LEU A 47 3.228 -4.108 6.792 1.00 0.00 C ATOM 693 CD2 LEU A 47 1.004 -3.790 5.694 1.00 0.00 C ATOM 0 H LEU A 47 2.052 0.023 7.359 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.343 -1.719 7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.341 -2.351 8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.973 -3.433 8.331 1.00 0.00 H new ATOM 0 HG LEU A 47 2.488 -2.284 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.626 -4.464 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.017 -3.606 7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.857 -4.954 7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.433 -4.151 4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.576 -4.628 6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.222 -3.062 5.476 1.00 0.00 H new ATOM 705 N ASP A 48 -1.053 -1.051 9.508 1.00 0.00 N ATOM 706 CA ASP A 48 -1.524 -0.616 10.817 1.00 0.00 C ATOM 707 C ASP A 48 -1.047 -1.567 11.910 1.00 0.00 C ATOM 708 O ASP A 48 -0.583 -2.671 11.626 1.00 0.00 O ATOM 709 CB ASP A 48 -3.051 -0.529 10.831 1.00 0.00 C ATOM 710 CG ASP A 48 -3.577 0.234 12.031 1.00 0.00 C ATOM 711 OD1 ASP A 48 -3.416 1.472 12.065 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.150 -0.408 12.936 1.00 0.00 O ATOM 0 H ASP A 48 -1.775 -1.461 8.915 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.110 0.373 11.014 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.393 -0.043 9.917 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.469 -1.536 10.832 1.00 0.00 H new ATOM 717 N GLN A 49 -1.163 -1.130 13.160 1.00 0.00 N ATOM 718 CA GLN A 49 -0.741 -1.942 14.295 1.00 0.00 C ATOM 719 C GLN A 49 -1.307 -3.355 14.194 1.00 0.00 C ATOM 720 O GLN A 49 -0.619 -4.332 14.487 1.00 0.00 O ATOM 721 CB GLN A 49 -1.187 -1.294 15.607 1.00 0.00 C ATOM 722 CG GLN A 49 -0.625 -1.975 16.844 1.00 0.00 C ATOM 723 CD GLN A 49 -1.450 -3.171 17.278 1.00 0.00 C ATOM 724 OE1 GLN A 49 -2.628 -3.039 17.612 1.00 0.00 O ATOM 725 NE2 GLN A 49 -0.835 -4.347 17.276 1.00 0.00 N ATOM 0 H GLN A 49 -1.546 -0.219 13.412 1.00 0.00 H new ATOM 0 HA GLN A 49 0.347 -2.004 14.280 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.881 -0.248 15.608 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.276 -1.308 15.658 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.397 -2.297 16.644 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.578 -1.255 17.661 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.142 -4.411 16.992 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.340 -5.187 17.559 1.00 0.00 H new ATOM 734 N SER A 50 -2.566 -3.454 13.778 1.00 0.00 N ATOM 735 CA SER A 50 -3.226 -4.747 13.642 1.00 0.00 C ATOM 736 C SER A 50 -2.484 -5.634 12.647 1.00 0.00 C ATOM 737 O SER A 50 -1.918 -6.662 13.017 1.00 0.00 O ATOM 738 CB SER A 50 -4.676 -4.558 13.192 1.00 0.00 C ATOM 739 OG SER A 50 -5.443 -5.724 13.440 1.00 0.00 O ATOM 0 H SER A 50 -3.149 -2.655 13.530 1.00 0.00 H new ATOM 0 HA SER A 50 -3.216 -5.237 14.616 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.116 -3.711 13.718 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.702 -4.321 12.128 1.00 0.00 H new ATOM 0 HG SER A 50 -6.392 -5.528 13.296 1.00 0.00 H new ATOM 745 N ALA A 51 -2.491 -5.228 11.381 1.00 0.00 N ATOM 746 CA ALA A 51 -1.818 -5.983 10.332 1.00 0.00 C ATOM 747 C ALA A 51 -0.387 -6.326 10.735 1.00 0.00 C ATOM 748 O ALA A 51 0.025 -7.484 10.669 1.00 0.00 O ATOM 749 CB ALA A 51 -1.828 -5.200 9.028 1.00 0.00 C ATOM 0 H ALA A 51 -2.956 -4.380 11.058 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.361 -6.917 10.186 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.322 -5.776 8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.858 -5.011 8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.312 -4.251 9.170 1.00 0.00 H new ATOM 755 N ARG A 52 0.365 -5.312 11.151 1.00 0.00 N ATOM 756 CA ARG A 52 1.750 -5.507 11.562 1.00 0.00 C ATOM 757 C ARG A 52 1.916 -6.830 12.304 1.00 0.00 C ATOM 758 O ARG A 52 2.738 -7.665 11.927 1.00 0.00 O ATOM 759 CB ARG A 52 2.207 -4.350 12.452 1.00 0.00 C ATOM 760 CG ARG A 52 2.640 -3.117 11.674 1.00 0.00 C ATOM 761 CD ARG A 52 4.092 -3.219 11.233 1.00 0.00 C ATOM 762 NE ARG A 52 4.383 -4.502 10.599 1.00 0.00 N ATOM 763 CZ ARG A 52 4.866 -5.552 11.253 1.00 0.00 C ATOM 764 NH1 ARG A 52 5.110 -5.472 12.553 1.00 0.00 N ATOM 765 NH2 ARG A 52 5.105 -6.686 10.606 1.00 0.00 N ATOM 0 H ARG A 52 0.038 -4.348 11.212 1.00 0.00 H new ATOM 0 HA ARG A 52 2.369 -5.533 10.665 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.394 -4.078 13.125 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.036 -4.687 13.074 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.001 -2.994 10.800 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.508 -2.230 12.293 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.317 -2.411 10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.743 -3.086 12.097 1.00 0.00 H new ATOM 0 HE ARG A 52 4.206 -4.597 9.599 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.927 -4.602 13.054 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.481 -6.280 13.053 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.918 -6.752 9.605 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.476 -7.492 11.109 1.00 0.00 H new ATOM 779 N ALA A 53 1.131 -7.012 13.360 1.00 0.00 N ATOM 780 CA ALA A 53 1.190 -8.233 14.154 1.00 0.00 C ATOM 781 C ALA A 53 1.037 -9.469 13.273 1.00 0.00 C ATOM 782 O ALA A 53 1.852 -10.390 13.333 1.00 0.00 O ATOM 783 CB ALA A 53 0.116 -8.215 15.232 1.00 0.00 C ATOM 0 H ALA A 53 0.447 -6.330 13.686 1.00 0.00 H new ATOM 0 HA ALA A 53 2.168 -8.278 14.632 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.172 -9.133 15.817 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.272 -7.358 15.887 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.866 -8.142 14.766 1.00 0.00 H new ATOM 789 N ARG A 54 -0.012 -9.482 12.457 1.00 0.00 N ATOM 790 CA ARG A 54 -0.272 -10.606 11.566 1.00 0.00 C ATOM 791 C ARG A 54 0.976 -10.963 10.764 1.00 0.00 C ATOM 792 O ARG A 54 1.351 -12.132 10.668 1.00 0.00 O ATOM 793 CB ARG A 54 -1.425 -10.274 10.616 1.00 0.00 C ATOM 794 CG ARG A 54 -1.879 -11.455 9.774 1.00 0.00 C ATOM 795 CD ARG A 54 -2.913 -12.297 10.507 1.00 0.00 C ATOM 796 NE ARG A 54 -3.037 -13.634 9.932 1.00 0.00 N ATOM 797 CZ ARG A 54 -2.143 -14.599 10.117 1.00 0.00 C ATOM 798 NH1 ARG A 54 -1.065 -14.376 10.856 1.00 0.00 N ATOM 799 NH2 ARG A 54 -2.326 -15.789 9.561 1.00 0.00 N ATOM 0 H ARG A 54 -0.695 -8.727 12.395 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.549 -11.466 12.176 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.270 -9.907 11.198 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.118 -9.464 9.955 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.301 -11.094 8.836 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.019 -12.074 9.519 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.635 -12.379 11.558 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.880 -11.796 10.471 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.855 -13.838 9.357 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.920 -13.462 11.284 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.380 -15.119 10.996 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.154 -15.964 8.991 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.639 -16.530 9.703 1.00 0.00 H new ATOM 813 N LEU A 55 1.614 -9.950 10.189 1.00 0.00 N ATOM 814 CA LEU A 55 2.819 -10.157 9.394 1.00 0.00 C ATOM 815 C LEU A 55 3.922 -10.795 10.233 1.00 0.00 C ATOM 816 O LEU A 55 4.416 -11.875 9.908 1.00 0.00 O ATOM 817 CB LEU A 55 3.308 -8.827 8.816 1.00 0.00 C ATOM 818 CG LEU A 55 4.366 -8.921 7.717 1.00 0.00 C ATOM 819 CD1 LEU A 55 3.759 -9.476 6.438 1.00 0.00 C ATOM 820 CD2 LEU A 55 4.995 -7.558 7.464 1.00 0.00 C ATOM 0 H LEU A 55 1.317 -8.977 10.258 1.00 0.00 H new ATOM 0 HA LEU A 55 2.572 -10.833 8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.448 -8.288 8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.712 -8.226 9.631 1.00 0.00 H new ATOM 0 HG LEU A 55 5.148 -9.604 8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.527 -9.536 5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.357 -10.471 6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.957 -8.819 6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.746 -7.644 6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.224 -6.853 7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.466 -7.199 8.379 1.00 0.00 H new ATOM 832 N SER A 56 4.300 -10.122 11.314 1.00 0.00 N ATOM 833 CA SER A 56 5.345 -10.623 12.199 1.00 0.00 C ATOM 834 C SER A 56 5.066 -12.066 12.608 1.00 0.00 C ATOM 835 O SER A 56 5.983 -12.876 12.731 1.00 0.00 O ATOM 836 CB SER A 56 5.454 -9.740 13.445 1.00 0.00 C ATOM 837 OG SER A 56 6.614 -10.058 14.194 1.00 0.00 O ATOM 0 H SER A 56 3.899 -9.229 11.599 1.00 0.00 H new ATOM 0 HA SER A 56 6.290 -10.594 11.657 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.484 -8.691 13.150 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.568 -9.871 14.067 1.00 0.00 H new ATOM 0 HG SER A 56 6.662 -9.480 14.984 1.00 0.00 H new ATOM 843 N ASN A 57 3.791 -12.379 12.816 1.00 0.00 N ATOM 844 CA ASN A 57 3.389 -13.724 13.211 1.00 0.00 C ATOM 845 C ASN A 57 3.846 -14.753 12.181 1.00 0.00 C ATOM 846 O ASN A 57 4.216 -15.875 12.529 1.00 0.00 O ATOM 847 CB ASN A 57 1.870 -13.796 13.381 1.00 0.00 C ATOM 848 CG ASN A 57 1.423 -13.378 14.768 1.00 0.00 C ATOM 849 OD1 ASN A 57 2.179 -12.755 15.514 1.00 0.00 O ATOM 850 ND2 ASN A 57 0.189 -13.720 15.120 1.00 0.00 N ATOM 0 H ASN A 57 3.019 -11.720 12.718 1.00 0.00 H new ATOM 0 HA ASN A 57 3.866 -13.953 14.164 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.393 -13.154 12.640 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.533 -14.814 13.185 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.167 -13.466 16.041 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.402 -14.236 14.469 1.00 0.00 H new ATOM 857 N LEU A 58 3.819 -14.363 10.911 1.00 0.00 N ATOM 858 CA LEU A 58 4.231 -15.251 9.829 1.00 0.00 C ATOM 859 C LEU A 58 5.749 -15.396 9.792 1.00 0.00 C ATOM 860 O LEU A 58 6.275 -16.392 9.296 1.00 0.00 O ATOM 861 CB LEU A 58 3.725 -14.719 8.487 1.00 0.00 C ATOM 862 CG LEU A 58 3.552 -15.757 7.377 1.00 0.00 C ATOM 863 CD1 LEU A 58 2.290 -16.575 7.603 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.513 -15.079 6.015 1.00 0.00 C ATOM 0 H LEU A 58 3.516 -13.438 10.605 1.00 0.00 H new ATOM 0 HA LEU A 58 3.795 -16.233 10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.766 -14.229 8.651 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.418 -13.954 8.137 1.00 0.00 H new ATOM 0 HG LEU A 58 4.407 -16.432 7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.184 -17.308 6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.357 -17.090 8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.424 -15.914 7.606 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.389 -15.832 5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.677 -14.381 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.445 -14.538 5.851 1.00 0.00 H new ATOM 876 N ALA A 59 6.447 -14.397 10.323 1.00 0.00 N ATOM 877 CA ALA A 59 7.904 -14.416 10.355 1.00 0.00 C ATOM 878 C ALA A 59 8.423 -15.702 10.989 1.00 0.00 C ATOM 879 O ALA A 59 9.459 -16.231 10.585 1.00 0.00 O ATOM 880 CB ALA A 59 8.431 -13.204 11.108 1.00 0.00 C ATOM 0 H ALA A 59 6.027 -13.565 10.737 1.00 0.00 H new ATOM 0 HA ALA A 59 8.266 -14.377 9.327 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.521 -13.231 11.124 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.098 -12.293 10.610 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.053 -13.218 12.130 1.00 0.00 H new ATOM 886 N LEU A 60 7.697 -16.200 11.984 1.00 0.00 N ATOM 887 CA LEU A 60 8.085 -17.425 12.675 1.00 0.00 C ATOM 888 C LEU A 60 7.742 -18.654 11.839 1.00 0.00 C ATOM 889 O LEU A 60 8.629 -19.333 11.322 1.00 0.00 O ATOM 890 CB LEU A 60 7.389 -17.509 14.034 1.00 0.00 C ATOM 891 CG LEU A 60 7.544 -16.290 14.945 1.00 0.00 C ATOM 892 CD1 LEU A 60 6.454 -16.273 16.005 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.921 -16.280 15.592 1.00 0.00 C ATOM 0 H LEU A 60 6.837 -15.775 12.330 1.00 0.00 H new ATOM 0 HA LEU A 60 9.164 -17.401 12.827 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.326 -17.678 13.865 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.771 -18.383 14.562 1.00 0.00 H new ATOM 0 HG LEU A 60 7.444 -15.391 14.337 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.581 -15.399 16.643 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.478 -16.231 15.522 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.521 -17.177 16.610 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.014 -15.406 16.237 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.050 -17.185 16.186 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.687 -16.242 14.817 1.00 0.00 H new ATOM 905 N VAL A 61 6.449 -18.932 11.708 1.00 0.00 N ATOM 906 CA VAL A 61 5.988 -20.077 10.931 1.00 0.00 C ATOM 907 C VAL A 61 6.720 -20.166 9.597 1.00 0.00 C ATOM 908 O VAL A 61 7.356 -21.175 9.290 1.00 0.00 O ATOM 909 CB VAL A 61 4.472 -20.004 10.669 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.696 -20.469 11.892 1.00 0.00 C ATOM 911 CG2 VAL A 61 4.067 -18.592 10.276 1.00 0.00 C ATOM 0 H VAL A 61 5.702 -18.380 12.130 1.00 0.00 H new ATOM 0 HA VAL A 61 6.204 -20.968 11.521 1.00 0.00 H new ATOM 0 HB VAL A 61 4.231 -20.670 9.841 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.627 -20.411 11.688 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.965 -21.499 12.124 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.939 -19.831 12.741 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.993 -18.559 10.095 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.320 -17.903 11.082 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.597 -18.300 9.369 1.00 0.00 H new ATOM 921 N LYS A 62 6.626 -19.103 8.805 1.00 0.00 N ATOM 922 CA LYS A 62 7.281 -19.059 7.503 1.00 0.00 C ATOM 923 C LYS A 62 7.686 -17.632 7.146 1.00 0.00 C ATOM 924 O LYS A 62 6.857 -16.798 6.783 1.00 0.00 O ATOM 925 CB LYS A 62 6.353 -19.622 6.423 1.00 0.00 C ATOM 926 CG LYS A 62 4.878 -19.408 6.717 1.00 0.00 C ATOM 927 CD LYS A 62 3.999 -20.071 5.670 1.00 0.00 C ATOM 928 CE LYS A 62 2.548 -20.139 6.122 1.00 0.00 C ATOM 929 NZ LYS A 62 1.607 -20.132 4.968 1.00 0.00 N ATOM 0 H LYS A 62 6.102 -18.260 9.042 1.00 0.00 H new ATOM 0 HA LYS A 62 8.181 -19.671 7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.596 -19.156 5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.542 -20.690 6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.640 -19.811 7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.664 -18.340 6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.064 -19.516 4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.366 -21.077 5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.393 -21.043 6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.330 -19.292 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.629 -20.179 5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.737 -19.258 4.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.797 -20.954 4.360 1.00 0.00 H new ATOM 943 N PRO A 63 8.992 -17.344 7.249 1.00 0.00 N ATOM 944 CA PRO A 63 9.537 -16.019 6.940 1.00 0.00 C ATOM 945 C PRO A 63 9.485 -15.705 5.448 1.00 0.00 C ATOM 946 O PRO A 63 9.295 -14.555 5.054 1.00 0.00 O ATOM 947 CB PRO A 63 10.988 -16.112 7.417 1.00 0.00 C ATOM 948 CG PRO A 63 11.315 -17.564 7.355 1.00 0.00 C ATOM 949 CD PRO A 63 10.037 -18.290 7.676 1.00 0.00 C ATOM 0 HA PRO A 63 8.968 -15.222 7.418 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.652 -15.529 6.779 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.097 -15.725 8.430 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.683 -17.839 6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.098 -17.819 8.069 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.966 -19.236 7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.961 -18.520 8.739 1.00 0.00 H new ATOM 957 N GLU A 64 9.655 -16.735 4.625 1.00 0.00 N ATOM 958 CA GLU A 64 9.628 -16.566 3.177 1.00 0.00 C ATOM 959 C GLU A 64 8.489 -15.642 2.758 1.00 0.00 C ATOM 960 O GLU A 64 8.716 -14.501 2.354 1.00 0.00 O ATOM 961 CB GLU A 64 9.478 -17.924 2.486 1.00 0.00 C ATOM 962 CG GLU A 64 10.672 -18.842 2.685 1.00 0.00 C ATOM 963 CD GLU A 64 11.857 -18.454 1.822 1.00 0.00 C ATOM 964 OE1 GLU A 64 11.669 -18.280 0.600 1.00 0.00 O ATOM 965 OE2 GLU A 64 12.972 -18.324 2.369 1.00 0.00 O ATOM 0 H GLU A 64 9.813 -17.694 4.936 1.00 0.00 H new ATOM 0 HA GLU A 64 10.571 -16.113 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.583 -18.418 2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.327 -17.764 1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.969 -18.823 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.380 -19.867 2.455 1.00 0.00 H new ATOM 972 N LYS A 65 7.262 -16.142 2.856 1.00 0.00 N ATOM 973 CA LYS A 65 6.085 -15.363 2.488 1.00 0.00 C ATOM 974 C LYS A 65 6.196 -13.933 3.008 1.00 0.00 C ATOM 975 O LYS A 65 5.914 -12.976 2.286 1.00 0.00 O ATOM 976 CB LYS A 65 4.819 -16.022 3.041 1.00 0.00 C ATOM 977 CG LYS A 65 4.190 -17.025 2.090 1.00 0.00 C ATOM 978 CD LYS A 65 3.716 -16.357 0.810 1.00 0.00 C ATOM 979 CE LYS A 65 2.577 -17.133 0.166 1.00 0.00 C ATOM 980 NZ LYS A 65 3.007 -18.491 -0.270 1.00 0.00 N ATOM 0 H LYS A 65 7.056 -17.084 3.188 1.00 0.00 H new ATOM 0 HA LYS A 65 6.025 -15.332 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.061 -16.524 3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.088 -15.247 3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.914 -17.803 1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.348 -17.514 2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.388 -15.341 1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.547 -16.280 0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.753 -17.223 0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.200 -16.578 -0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.202 -18.987 -0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.776 -18.405 -0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.343 -19.030 0.554 1.00 0.00 H new ATOM 994 N THR A 66 6.609 -13.795 4.264 1.00 0.00 N ATOM 995 CA THR A 66 6.757 -12.482 4.879 1.00 0.00 C ATOM 996 C THR A 66 7.681 -11.591 4.058 1.00 0.00 C ATOM 997 O THR A 66 7.381 -10.422 3.817 1.00 0.00 O ATOM 998 CB THR A 66 7.309 -12.593 6.313 1.00 0.00 C ATOM 999 OG1 THR A 66 6.847 -13.803 6.924 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.879 -11.399 7.152 1.00 0.00 C ATOM 0 H THR A 66 6.847 -14.576 4.875 1.00 0.00 H new ATOM 0 HA THR A 66 5.763 -12.035 4.914 1.00 0.00 H new ATOM 0 HB THR A 66 8.398 -12.607 6.260 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.771 -13.672 7.892 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.280 -11.499 8.160 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.257 -10.482 6.700 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.791 -11.359 7.197 1.00 0.00 H new ATOM 1008 N LYS A 67 8.808 -12.150 3.630 1.00 0.00 N ATOM 1009 CA LYS A 67 9.777 -11.407 2.833 1.00 0.00 C ATOM 1010 C LYS A 67 9.117 -10.804 1.598 1.00 0.00 C ATOM 1011 O LYS A 67 9.058 -9.584 1.447 1.00 0.00 O ATOM 1012 CB LYS A 67 10.930 -12.321 2.413 1.00 0.00 C ATOM 1013 CG LYS A 67 11.908 -12.621 3.536 1.00 0.00 C ATOM 1014 CD LYS A 67 13.279 -12.995 2.997 1.00 0.00 C ATOM 1015 CE LYS A 67 14.211 -13.447 4.110 1.00 0.00 C ATOM 1016 NZ LYS A 67 14.528 -12.339 5.053 1.00 0.00 N ATOM 0 H LYS A 67 9.073 -13.116 3.822 1.00 0.00 H new ATOM 0 HA LYS A 67 10.169 -10.596 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.521 -13.259 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.469 -11.856 1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.997 -11.750 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.522 -13.436 4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.177 -13.792 2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.714 -12.139 2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.750 -14.269 4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.135 -13.830 3.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.218 -12.669 5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.928 -11.538 4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.659 -12.035 5.536 1.00 0.00 H new ATOM 1030 N ALA A 68 8.620 -11.666 0.717 1.00 0.00 N ATOM 1031 CA ALA A 68 7.961 -11.217 -0.503 1.00 0.00 C ATOM 1032 C ALA A 68 6.930 -10.135 -0.204 1.00 0.00 C ATOM 1033 O ALA A 68 7.041 -9.007 -0.685 1.00 0.00 O ATOM 1034 CB ALA A 68 7.304 -12.393 -1.212 1.00 0.00 C ATOM 0 H ALA A 68 8.661 -12.679 0.826 1.00 0.00 H new ATOM 0 HA ALA A 68 8.719 -10.789 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.816 -12.043 -2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.062 -13.133 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.563 -12.847 -0.554 1.00 0.00 H new ATOM 1040 N VAL A 69 5.925 -10.485 0.592 1.00 0.00 N ATOM 1041 CA VAL A 69 4.873 -9.543 0.956 1.00 0.00 C ATOM 1042 C VAL A 69 5.450 -8.163 1.251 1.00 0.00 C ATOM 1043 O VAL A 69 5.019 -7.164 0.677 1.00 0.00 O ATOM 1044 CB VAL A 69 4.083 -10.030 2.185 1.00 0.00 C ATOM 1045 CG1 VAL A 69 3.006 -9.024 2.561 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.475 -11.399 1.917 1.00 0.00 C ATOM 0 H VAL A 69 5.817 -11.415 0.998 1.00 0.00 H new ATOM 0 HA VAL A 69 4.198 -9.477 0.103 1.00 0.00 H new ATOM 0 HB VAL A 69 4.771 -10.120 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.458 -9.385 3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.469 -8.066 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.317 -8.899 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.920 -11.729 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.800 -11.337 1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.269 -12.114 1.700 1.00 0.00 H new ATOM 1056 N GLU A 70 6.428 -8.116 2.151 1.00 0.00 N ATOM 1057 CA GLU A 70 7.064 -6.858 2.522 1.00 0.00 C ATOM 1058 C GLU A 70 7.431 -6.047 1.283 1.00 0.00 C ATOM 1059 O GLU A 70 7.075 -4.874 1.168 1.00 0.00 O ATOM 1060 CB GLU A 70 8.316 -7.122 3.361 1.00 0.00 C ATOM 1061 CG GLU A 70 8.023 -7.360 4.833 1.00 0.00 C ATOM 1062 CD GLU A 70 9.281 -7.586 5.649 1.00 0.00 C ATOM 1063 OE1 GLU A 70 10.087 -6.640 5.773 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.459 -8.709 6.165 1.00 0.00 O ATOM 0 H GLU A 70 6.796 -8.934 2.636 1.00 0.00 H new ATOM 0 HA GLU A 70 6.353 -6.282 3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.837 -7.990 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.992 -6.272 3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.483 -6.503 5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.368 -8.226 4.934 1.00 0.00 H new ATOM 1071 N ASN A 71 8.144 -6.680 0.358 1.00 0.00 N ATOM 1072 CA ASN A 71 8.561 -6.018 -0.873 1.00 0.00 C ATOM 1073 C ASN A 71 7.350 -5.580 -1.691 1.00 0.00 C ATOM 1074 O ASN A 71 7.445 -4.680 -2.526 1.00 0.00 O ATOM 1075 CB ASN A 71 9.443 -6.951 -1.705 1.00 0.00 C ATOM 1076 CG ASN A 71 9.706 -6.408 -3.097 1.00 0.00 C ATOM 1077 OD1 ASN A 71 9.688 -5.197 -3.316 1.00 0.00 O ATOM 1078 ND2 ASN A 71 9.952 -7.305 -4.044 1.00 0.00 N ATOM 0 H ASN A 71 8.445 -7.651 0.437 1.00 0.00 H new ATOM 0 HA ASN A 71 9.135 -5.132 -0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.392 -7.103 -1.192 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.963 -7.927 -1.783 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.136 -7.000 -5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.957 -8.299 -3.816 1.00 0.00 H new ATOM 1085 N TYR A 72 6.213 -6.221 -1.445 1.00 0.00 N ATOM 1086 CA TYR A 72 4.984 -5.899 -2.160 1.00 0.00 C ATOM 1087 C TYR A 72 4.313 -4.666 -1.562 1.00 0.00 C ATOM 1088 O TYR A 72 4.015 -3.703 -2.269 1.00 0.00 O ATOM 1089 CB TYR A 72 4.021 -7.087 -2.121 1.00 0.00 C ATOM 1090 CG TYR A 72 2.783 -6.891 -2.968 1.00 0.00 C ATOM 1091 CD1 TYR A 72 1.803 -5.978 -2.599 1.00 0.00 C ATOM 1092 CD2 TYR A 72 2.594 -7.620 -4.136 1.00 0.00 C ATOM 1093 CE1 TYR A 72 0.671 -5.796 -3.370 1.00 0.00 C ATOM 1094 CE2 TYR A 72 1.466 -7.443 -4.913 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.507 -6.531 -4.525 1.00 0.00 C ATOM 1096 OH TYR A 72 -0.619 -6.353 -5.296 1.00 0.00 O ATOM 0 H TYR A 72 6.117 -6.967 -0.756 1.00 0.00 H new ATOM 0 HA TYR A 72 5.242 -5.683 -3.197 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.545 -7.980 -2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.720 -7.266 -1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.928 -5.401 -1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.342 -8.337 -4.441 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.081 -5.082 -3.070 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.336 -8.016 -5.819 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.579 -6.946 -6.075 1.00 0.00 H new ATOM 1106 N LEU A 73 4.078 -4.704 -0.255 1.00 0.00 N ATOM 1107 CA LEU A 73 3.443 -3.590 0.441 1.00 0.00 C ATOM 1108 C LEU A 73 4.236 -2.302 0.244 1.00 0.00 C ATOM 1109 O LEU A 73 3.745 -1.210 0.533 1.00 0.00 O ATOM 1110 CB LEU A 73 3.316 -3.901 1.933 1.00 0.00 C ATOM 1111 CG LEU A 73 2.614 -5.213 2.288 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.708 -5.481 3.782 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.160 -5.177 1.841 1.00 0.00 C ATOM 0 H LEU A 73 4.318 -5.494 0.344 1.00 0.00 H new ATOM 0 HA LEU A 73 2.448 -3.450 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.316 -3.918 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.776 -3.083 2.410 1.00 0.00 H new ATOM 0 HG LEU A 73 3.115 -6.025 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.203 -6.418 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.756 -5.550 4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.232 -4.667 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.676 -6.118 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.646 -4.355 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.115 -5.032 0.762 1.00 0.00 H new ATOM 1125 N ILE A 74 5.461 -2.437 -0.251 1.00 0.00 N ATOM 1126 CA ILE A 74 6.320 -1.284 -0.490 1.00 0.00 C ATOM 1127 C ILE A 74 6.048 -0.670 -1.859 1.00 0.00 C ATOM 1128 O ILE A 74 5.744 0.517 -1.968 1.00 0.00 O ATOM 1129 CB ILE A 74 7.810 -1.662 -0.395 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.171 -2.045 1.042 1.00 0.00 C ATOM 1131 CG2 ILE A 74 8.680 -0.511 -0.877 1.00 0.00 C ATOM 1132 CD1 ILE A 74 9.492 -2.772 1.159 1.00 0.00 C ATOM 0 H ILE A 74 5.881 -3.334 -0.495 1.00 0.00 H new ATOM 0 HA ILE A 74 6.090 -0.553 0.285 1.00 0.00 H new ATOM 0 HB ILE A 74 7.993 -2.523 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.207 -1.142 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.381 -2.675 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.730 -0.793 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.437 -0.281 -1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.497 0.368 -0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.684 -3.012 2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.454 -3.692 0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.292 -2.136 0.780 1.00 0.00 H new ATOM 1144 N GLN A 75 6.159 -1.489 -2.900 1.00 0.00 N ATOM 1145 CA GLN A 75 5.925 -1.026 -4.263 1.00 0.00 C ATOM 1146 C GLN A 75 4.640 -0.209 -4.347 1.00 0.00 C ATOM 1147 O GLN A 75 4.596 0.832 -5.002 1.00 0.00 O ATOM 1148 CB GLN A 75 5.850 -2.215 -5.222 1.00 0.00 C ATOM 1149 CG GLN A 75 5.005 -3.366 -4.700 1.00 0.00 C ATOM 1150 CD GLN A 75 4.736 -4.419 -5.758 1.00 0.00 C ATOM 1151 OE1 GLN A 75 5.421 -5.440 -5.822 1.00 0.00 O ATOM 1152 NE2 GLN A 75 3.733 -4.175 -6.594 1.00 0.00 N ATOM 0 H GLN A 75 6.409 -2.475 -2.826 1.00 0.00 H new ATOM 0 HA GLN A 75 6.760 -0.387 -4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.441 -1.878 -6.174 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.859 -2.576 -5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.511 -3.829 -3.853 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.056 -2.977 -4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.192 -3.315 -6.504 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.504 -4.847 -7.326 1.00 0.00 H new ATOM 1161 N MET A 76 3.595 -0.688 -3.679 1.00 0.00 N ATOM 1162 CA MET A 76 2.309 -0.001 -3.678 1.00 0.00 C ATOM 1163 C MET A 76 2.432 1.382 -3.045 1.00 0.00 C ATOM 1164 O MET A 76 1.842 2.349 -3.526 1.00 0.00 O ATOM 1165 CB MET A 76 1.265 -0.828 -2.925 1.00 0.00 C ATOM 1166 CG MET A 76 1.781 -1.418 -1.623 1.00 0.00 C ATOM 1167 SD MET A 76 0.453 -1.876 -0.493 1.00 0.00 S ATOM 1168 CE MET A 76 -0.915 -2.060 -1.636 1.00 0.00 C ATOM 0 H MET A 76 3.614 -1.549 -3.132 1.00 0.00 H new ATOM 0 HA MET A 76 1.989 0.119 -4.713 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.400 -0.200 -2.712 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.920 -1.637 -3.569 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.386 -2.298 -1.842 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.435 -0.695 -1.135 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.709 -2.637 -1.163 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.295 -1.076 -1.910 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.573 -2.579 -2.532 1.00 0.00 H new ATOM 1178 N ALA A 77 3.201 1.467 -1.965 1.00 0.00 N ATOM 1179 CA ALA A 77 3.402 2.731 -1.268 1.00 0.00 C ATOM 1180 C ALA A 77 4.062 3.761 -2.178 1.00 0.00 C ATOM 1181 O ALA A 77 3.595 4.895 -2.289 1.00 0.00 O ATOM 1182 CB ALA A 77 4.240 2.516 -0.016 1.00 0.00 C ATOM 0 H ALA A 77 3.695 0.675 -1.554 1.00 0.00 H new ATOM 0 HA ALA A 77 2.425 3.116 -0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.382 3.468 0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.728 1.820 0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.210 2.105 -0.294 1.00 0.00 H new ATOM 1188 N ARG A 78 5.150 3.359 -2.827 1.00 0.00 N ATOM 1189 CA ARG A 78 5.875 4.249 -3.727 1.00 0.00 C ATOM 1190 C ARG A 78 4.951 4.796 -4.811 1.00 0.00 C ATOM 1191 O ARG A 78 4.940 5.997 -5.083 1.00 0.00 O ATOM 1192 CB ARG A 78 7.052 3.511 -4.368 1.00 0.00 C ATOM 1193 CG ARG A 78 7.982 2.856 -3.361 1.00 0.00 C ATOM 1194 CD ARG A 78 8.952 1.900 -4.038 1.00 0.00 C ATOM 1195 NE ARG A 78 10.107 2.598 -4.597 1.00 0.00 N ATOM 1196 CZ ARG A 78 11.199 1.980 -5.033 1.00 0.00 C ATOM 1197 NH1 ARG A 78 11.284 0.658 -4.975 1.00 0.00 N ATOM 1198 NH2 ARG A 78 12.208 2.684 -5.528 1.00 0.00 N ATOM 0 H ARG A 78 5.549 2.424 -2.747 1.00 0.00 H new ATOM 0 HA ARG A 78 6.255 5.087 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.666 2.748 -5.044 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.624 4.214 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.540 3.624 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.394 2.315 -2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.292 1.157 -3.317 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.435 1.361 -4.832 1.00 0.00 H new ATOM 0 HE ARG A 78 10.073 3.616 -4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.510 0.113 -4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.124 0.186 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.146 3.701 -5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.046 2.208 -5.862 1.00 0.00 H new ATOM 1212 N TYR A 79 4.179 3.908 -5.427 1.00 0.00 N ATOM 1213 CA TYR A 79 3.255 4.301 -6.484 1.00 0.00 C ATOM 1214 C TYR A 79 2.268 5.351 -5.982 1.00 0.00 C ATOM 1215 O TYR A 79 1.920 6.286 -6.701 1.00 0.00 O ATOM 1216 CB TYR A 79 2.495 3.080 -7.006 1.00 0.00 C ATOM 1217 CG TYR A 79 3.395 1.928 -7.394 1.00 0.00 C ATOM 1218 CD1 TYR A 79 4.623 2.155 -8.002 1.00 0.00 C ATOM 1219 CD2 TYR A 79 3.015 0.613 -7.155 1.00 0.00 C ATOM 1220 CE1 TYR A 79 5.448 1.106 -8.360 1.00 0.00 C ATOM 1221 CE2 TYR A 79 3.834 -0.442 -7.508 1.00 0.00 C ATOM 1222 CZ TYR A 79 5.049 -0.190 -8.110 1.00 0.00 C ATOM 1223 OH TYR A 79 5.867 -1.239 -8.464 1.00 0.00 O ATOM 0 H TYR A 79 4.175 2.911 -5.212 1.00 0.00 H new ATOM 0 HA TYR A 79 3.837 4.734 -7.298 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.796 2.743 -6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.902 3.374 -7.872 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.938 3.169 -8.198 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.063 0.412 -6.685 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.399 1.300 -8.833 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.525 -1.458 -7.314 1.00 0.00 H new ATOM 0 HH TYR A 79 6.803 -0.953 -8.420 1.00 0.00 H new ATOM 1233 N GLY A 80 1.822 5.189 -4.740 1.00 0.00 N ATOM 1234 CA GLY A 80 0.881 6.129 -4.161 1.00 0.00 C ATOM 1235 C GLY A 80 -0.557 5.669 -4.299 1.00 0.00 C ATOM 1236 O GLY A 80 -1.471 6.489 -4.384 1.00 0.00 O ATOM 0 H GLY A 80 2.096 4.423 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.115 6.269 -3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.997 7.099 -4.645 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.757 4.356 -4.323 1.00 0.00 N ATOM 1241 CA GLN A 81 -2.094 3.789 -4.454 1.00 0.00 C ATOM 1242 C GLN A 81 -2.741 3.599 -3.086 1.00 0.00 C ATOM 1243 O GLN A 81 -3.962 3.685 -2.948 1.00 0.00 O ATOM 1244 CB GLN A 81 -2.034 2.451 -5.194 1.00 0.00 C ATOM 1245 CG GLN A 81 -1.590 2.577 -6.642 1.00 0.00 C ATOM 1246 CD GLN A 81 -2.358 3.643 -7.398 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -3.555 3.835 -7.179 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -1.673 4.343 -8.294 1.00 0.00 N ATOM 0 H GLN A 81 -0.010 3.664 -4.253 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.702 4.487 -5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.349 1.785 -4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.018 1.984 -5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.526 2.811 -6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.720 1.617 -7.143 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.683 4.150 -8.443 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.137 5.074 -8.834 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.916 3.339 -2.078 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.408 3.136 -0.720 1.00 0.00 C ATOM 1259 C LEU A 82 -3.123 4.382 -0.207 1.00 0.00 C ATOM 1260 O LEU A 82 -2.509 5.435 -0.036 1.00 0.00 O ATOM 1261 CB LEU A 82 -1.252 2.777 0.214 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.614 1.404 -0.004 1.00 0.00 C ATOM 1263 CD1 LEU A 82 0.855 1.429 0.389 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.361 0.338 0.785 1.00 0.00 C ATOM 0 H LEU A 82 -0.903 3.264 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.122 2.312 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.477 3.536 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.612 2.829 1.242 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.681 1.158 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.292 0.444 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.382 2.164 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.946 1.697 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.894 -0.632 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.326 0.580 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.399 0.302 0.455 1.00 0.00 H new ATOM 1276 N SER A 83 -4.423 4.254 0.038 1.00 0.00 N ATOM 1277 CA SER A 83 -5.222 5.371 0.530 1.00 0.00 C ATOM 1278 C SER A 83 -4.975 5.601 2.018 1.00 0.00 C ATOM 1279 O SER A 83 -4.703 6.722 2.446 1.00 0.00 O ATOM 1280 CB SER A 83 -6.708 5.110 0.282 1.00 0.00 C ATOM 1281 OG SER A 83 -7.475 6.281 0.503 1.00 0.00 O ATOM 0 H SER A 83 -4.946 3.388 -0.096 1.00 0.00 H new ATOM 0 HA SER A 83 -4.923 6.268 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.854 4.764 -0.741 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.056 4.314 0.941 1.00 0.00 H new ATOM 0 HG SER A 83 -8.421 6.089 0.336 1.00 0.00 H new ATOM 1287 N GLU A 84 -5.073 4.531 2.800 1.00 0.00 N ATOM 1288 CA GLU A 84 -4.862 4.616 4.241 1.00 0.00 C ATOM 1289 C GLU A 84 -4.236 3.331 4.776 1.00 0.00 C ATOM 1290 O GLU A 84 -4.104 2.343 4.053 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.186 4.888 4.957 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.152 3.716 4.917 1.00 0.00 C ATOM 1293 CD GLU A 84 -8.300 3.872 5.895 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -9.279 4.569 5.553 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -8.221 3.299 7.001 1.00 0.00 O ATOM 0 H GLU A 84 -5.297 3.596 2.461 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.177 5.441 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.981 5.144 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.663 5.757 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.551 3.613 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.611 2.797 5.141 1.00 0.00 H new ATOM 1302 N LYS A 85 -3.852 3.352 6.047 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.240 2.191 6.682 1.00 0.00 C ATOM 1304 C LYS A 85 -4.030 0.923 6.373 1.00 0.00 C ATOM 1305 O LYS A 85 -5.244 0.873 6.569 1.00 0.00 O ATOM 1306 CB LYS A 85 -3.156 2.396 8.196 1.00 0.00 C ATOM 1307 CG LYS A 85 -2.146 3.452 8.612 1.00 0.00 C ATOM 1308 CD LYS A 85 -2.291 3.815 10.080 1.00 0.00 C ATOM 1309 CE LYS A 85 -1.724 5.196 10.371 1.00 0.00 C ATOM 1310 NZ LYS A 85 -2.602 6.278 9.848 1.00 0.00 N ATOM 0 H LYS A 85 -3.954 4.162 6.659 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.233 2.078 6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.140 2.678 8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.895 1.449 8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.137 3.085 8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.279 4.345 8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.344 3.786 10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.777 3.073 10.692 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.599 5.318 11.447 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.734 5.284 9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.316 7.188 10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.514 6.326 8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.590 6.077 10.103 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.333 -0.101 5.891 1.00 0.00 N ATOM 1325 CA VAL A 86 -3.969 -1.370 5.558 1.00 0.00 C ATOM 1326 C VAL A 86 -4.506 -2.060 6.807 1.00 0.00 C ATOM 1327 O VAL A 86 -3.768 -2.299 7.762 1.00 0.00 O ATOM 1328 CB VAL A 86 -2.989 -2.318 4.842 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.632 -3.677 4.613 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -2.524 -1.710 3.527 1.00 0.00 C ATOM 0 H VAL A 86 -2.327 -0.076 5.722 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.798 -1.142 4.888 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.116 -2.459 5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.925 -4.333 4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.910 -4.114 5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.523 -3.559 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.832 -2.393 3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.385 -1.538 2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.021 -0.763 3.722 1.00 0.00 H new ATOM 1340 N SER A 87 -5.797 -2.377 6.792 1.00 0.00 N ATOM 1341 CA SER A 87 -6.434 -3.037 7.925 1.00 0.00 C ATOM 1342 C SER A 87 -6.181 -4.541 7.890 1.00 0.00 C ATOM 1343 O SER A 87 -5.875 -5.106 6.841 1.00 0.00 O ATOM 1344 CB SER A 87 -7.939 -2.762 7.921 1.00 0.00 C ATOM 1345 OG SER A 87 -8.526 -3.121 9.160 1.00 0.00 O ATOM 0 H SER A 87 -6.422 -2.187 6.008 1.00 0.00 H new ATOM 0 HA SER A 87 -6.000 -2.634 8.840 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.118 -1.705 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.412 -3.322 7.115 1.00 0.00 H new ATOM 0 HG SER A 87 -9.488 -2.934 9.133 1.00 0.00 H new ATOM 1351 N GLU A 88 -6.310 -5.183 9.047 1.00 0.00 N ATOM 1352 CA GLU A 88 -6.094 -6.622 9.150 1.00 0.00 C ATOM 1353 C GLU A 88 -6.661 -7.345 7.932 1.00 0.00 C ATOM 1354 O GLU A 88 -5.948 -8.077 7.246 1.00 0.00 O ATOM 1355 CB GLU A 88 -6.739 -7.167 10.426 1.00 0.00 C ATOM 1356 CG GLU A 88 -6.027 -8.382 10.997 1.00 0.00 C ATOM 1357 CD GLU A 88 -6.527 -9.684 10.401 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -7.625 -9.680 9.807 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -5.820 -10.706 10.530 1.00 0.00 O ATOM 0 H GLU A 88 -6.563 -4.730 9.925 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.019 -6.801 9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.756 -6.379 11.179 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.776 -7.430 10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.956 -8.290 10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.165 -8.405 12.078 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.947 -7.135 7.671 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.610 -7.768 6.537 1.00 0.00 C ATOM 1368 C GLN A 89 -7.819 -7.547 5.252 1.00 0.00 C ATOM 1369 O GLN A 89 -7.426 -8.501 4.581 1.00 0.00 O ATOM 1370 CB GLN A 89 -10.029 -7.219 6.377 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.997 -7.716 7.439 1.00 0.00 C ATOM 1372 CD GLN A 89 -12.321 -6.980 7.412 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -13.191 -7.273 6.591 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -12.481 -6.017 8.312 1.00 0.00 N ATOM 0 H GLN A 89 -8.551 -6.531 8.229 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.662 -8.839 6.731 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.994 -6.130 6.410 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.408 -7.496 5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.175 -8.781 7.293 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.542 -7.601 8.423 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.733 -5.808 8.974 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.352 -5.486 8.342 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.589 -6.282 4.914 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.846 -5.959 3.710 1.00 0.00 C ATOM 1385 C GLY A 90 -5.537 -6.718 3.615 1.00 0.00 C ATOM 1386 O GLY A 90 -5.226 -7.306 2.578 1.00 0.00 O ATOM 0 H GLY A 90 -7.904 -5.475 5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.458 -6.186 2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.644 -4.888 3.688 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.768 -6.706 4.697 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.484 -7.397 4.731 1.00 0.00 C ATOM 1392 C LEU A 91 -3.649 -8.870 4.369 1.00 0.00 C ATOM 1393 O LEU A 91 -3.019 -9.363 3.433 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.850 -7.269 6.118 1.00 0.00 C ATOM 1395 CG LEU A 91 -1.453 -7.870 6.275 1.00 0.00 C ATOM 1396 CD1 LEU A 91 -0.387 -6.834 5.952 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -1.261 -8.413 7.683 1.00 0.00 C ATOM 0 H LEU A 91 -5.011 -6.225 5.563 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.829 -6.932 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.800 -6.211 6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.511 -7.743 6.843 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.353 -8.696 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.601 -7.280 6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.511 -6.492 4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.486 -5.987 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.261 -8.837 7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.381 -7.605 8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.003 -9.187 7.879 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.500 -9.565 5.116 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.750 -10.980 4.871 1.00 0.00 C ATOM 1411 C ILE A 92 -4.913 -11.260 3.381 1.00 0.00 C ATOM 1412 O ILE A 92 -4.389 -12.246 2.864 1.00 0.00 O ATOM 1413 CB ILE A 92 -6.008 -11.467 5.614 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.782 -11.423 7.127 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -6.376 -12.874 5.168 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -7.034 -11.689 7.933 1.00 0.00 C ATOM 0 H ILE A 92 -5.028 -9.172 5.895 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.883 -11.523 5.247 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.836 -10.802 5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.024 -12.159 7.395 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.386 -10.445 7.399 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.267 -13.204 5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.574 -12.876 4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.551 -13.552 5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.799 -11.642 8.996 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.787 -10.938 7.694 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.420 -12.679 7.690 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.642 -10.384 2.696 1.00 0.00 N ATOM 1429 CA GLU A 93 -5.873 -10.537 1.265 1.00 0.00 C ATOM 1430 C GLU A 93 -4.560 -10.457 0.490 1.00 0.00 C ATOM 1431 O GLU A 93 -4.220 -11.364 -0.270 1.00 0.00 O ATOM 1432 CB GLU A 93 -6.839 -9.462 0.764 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.246 -9.599 1.323 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.157 -8.465 0.895 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -8.858 -7.302 1.236 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -10.170 -8.742 0.219 1.00 0.00 O ATOM 0 H GLU A 93 -6.082 -9.562 3.109 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.315 -11.519 1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.446 -8.480 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.884 -9.504 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.673 -10.547 0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.199 -9.631 2.412 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.829 -9.367 0.689 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.554 -9.168 0.010 1.00 0.00 C ATOM 1445 C ILE A 94 -1.659 -10.395 0.152 1.00 0.00 C ATOM 1446 O ILE A 94 -1.087 -10.877 -0.827 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.809 -7.937 0.559 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.680 -6.686 0.427 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.488 -7.748 -0.171 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -2.057 -5.449 1.034 1.00 0.00 C ATOM 0 H ILE A 94 -4.097 -8.607 1.315 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.780 -9.005 -1.044 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.598 -8.100 1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.879 -6.502 -0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.642 -6.871 0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.027 -6.874 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.135 -8.631 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.678 -7.603 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.730 -4.601 0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.883 -5.614 2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.109 -5.239 0.539 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.543 -10.897 1.377 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.719 -12.070 1.648 1.00 0.00 C ATOM 1464 C LEU A 95 -0.935 -13.144 0.587 1.00 0.00 C ATOM 1465 O LEU A 95 0.003 -13.835 0.187 1.00 0.00 O ATOM 1466 CB LEU A 95 -1.039 -12.633 3.033 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.226 -12.060 4.195 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -0.895 -12.379 5.523 1.00 0.00 C ATOM 1469 CD2 LEU A 95 1.196 -12.601 4.169 1.00 0.00 C ATOM 0 H LEU A 95 -2.009 -10.510 2.198 1.00 0.00 H new ATOM 0 HA LEU A 95 0.327 -11.763 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.096 -12.463 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.889 -13.712 3.008 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.183 -10.977 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.302 -11.963 6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.894 -11.943 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.969 -13.460 5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.760 -12.183 5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.174 -13.687 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.675 -12.321 3.231 1.00 0.00 H new ATOM 1481 N LYS A 96 -2.176 -13.278 0.133 1.00 0.00 N ATOM 1482 CA LYS A 96 -2.517 -14.266 -0.885 1.00 0.00 C ATOM 1483 C LYS A 96 -2.674 -13.607 -2.251 1.00 0.00 C ATOM 1484 O LYS A 96 -3.540 -13.987 -3.039 1.00 0.00 O ATOM 1485 CB LYS A 96 -3.808 -14.994 -0.506 1.00 0.00 C ATOM 1486 CG LYS A 96 -3.659 -15.910 0.697 1.00 0.00 C ATOM 1487 CD LYS A 96 -3.917 -15.169 1.997 1.00 0.00 C ATOM 1488 CE LYS A 96 -5.387 -15.220 2.387 1.00 0.00 C ATOM 1489 NZ LYS A 96 -5.801 -16.587 2.808 1.00 0.00 N ATOM 0 H LYS A 96 -2.964 -12.715 0.454 1.00 0.00 H new ATOM 0 HA LYS A 96 -1.703 -14.989 -0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.583 -14.257 -0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.148 -15.581 -1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.355 -16.744 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.654 -16.333 0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.313 -15.607 2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.603 -14.130 1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.572 -14.518 3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.998 -14.899 1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.672 -16.527 3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.974 -17.172 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.046 -17.018 3.380 1.00 0.00 H new ATOM 1503 N LYS A 97 -1.831 -12.618 -2.527 1.00 0.00 N ATOM 1504 CA LYS A 97 -1.874 -11.907 -3.799 1.00 0.00 C ATOM 1505 C LYS A 97 -0.476 -11.766 -4.392 1.00 0.00 C ATOM 1506 O LYS A 97 -0.290 -11.876 -5.604 1.00 0.00 O ATOM 1507 CB LYS A 97 -2.502 -10.524 -3.613 1.00 0.00 C ATOM 1508 CG LYS A 97 -4.010 -10.560 -3.434 1.00 0.00 C ATOM 1509 CD LYS A 97 -4.645 -9.225 -3.788 1.00 0.00 C ATOM 1510 CE LYS A 97 -6.105 -9.390 -4.181 1.00 0.00 C ATOM 1511 NZ LYS A 97 -6.256 -9.738 -5.621 1.00 0.00 N ATOM 0 H LYS A 97 -1.109 -12.290 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.486 -12.487 -4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.053 -10.044 -2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.262 -9.906 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.433 -11.344 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.249 -10.815 -2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.570 -8.548 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.095 -8.766 -4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.560 -10.169 -3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.644 -8.466 -3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.265 -9.842 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.845 -8.983 -6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.763 -10.633 -5.815 1.00 0.00 H new ATOM 1525 N VAL A 98 0.506 -11.524 -3.529 1.00 0.00 N ATOM 1526 CA VAL A 98 1.888 -11.371 -3.967 1.00 0.00 C ATOM 1527 C VAL A 98 2.402 -12.650 -4.620 1.00 0.00 C ATOM 1528 O VAL A 98 3.200 -12.603 -5.557 1.00 0.00 O ATOM 1529 CB VAL A 98 2.812 -11.001 -2.791 1.00 0.00 C ATOM 1530 CG1 VAL A 98 2.669 -12.009 -1.662 1.00 0.00 C ATOM 1531 CG2 VAL A 98 4.257 -10.912 -3.257 1.00 0.00 C ATOM 0 H VAL A 98 0.370 -11.430 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 98 1.901 -10.562 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 98 2.515 -10.023 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.329 -11.731 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.637 -12.018 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.938 -13.001 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.896 -10.650 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.568 -11.875 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.344 -10.148 -4.029 1.00 0.00 H new