USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 43 SER OG : rot 26:sc= -0.723 USER MOD Set 2.1: A 72 MET CE :methyl -116:sc=-0.00974 (180deg=-0.272) USER MOD Set 2.2: B 72 MET CE :methyl -120:sc=-0.00154 (180deg=-0.113) USER MOD Set 3.1: A 43 SER OG : rot 35:sc= -0.577 USER MOD Set 3.2: B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 161:sc= -0.124 (180deg=-0.64) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.525 K(o=-0.53,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -110:sc= -0.0913 (180deg=-1.59!) USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= -0.0576 (180deg=-0.318) USER MOD Single : A 67 THR OG1 : rot 31:sc= 0.497 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : B 44 MET CE :methyl 160:sc= -0.16 (180deg=-0.697) USER MOD Single : B 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 ASN : amide:sc= -0.565 K(o=-0.57,f=-0.012) USER MOD Single : B 64 LYS NZ :NH3+ -111:sc= -0.125 (180deg=-1.75!) USER MOD Single : B 66 LYS NZ :NH3+ -162:sc= -0.0842 (180deg=-0.39) USER MOD Single : B 67 THR OG1 : rot 36:sc= 0.538 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 581 N SER A 43 13.664 -7.740 7.633 1.00 0.00 N ATOM 582 CA SER A 43 12.515 -8.158 6.836 1.00 0.00 C ATOM 583 C SER A 43 11.277 -8.321 7.711 1.00 0.00 C ATOM 584 O SER A 43 11.377 -8.709 8.875 1.00 0.00 O ATOM 585 CB SER A 43 12.822 -9.470 6.112 1.00 0.00 C ATOM 586 OG SER A 43 13.951 -9.332 5.266 1.00 0.00 O ATOM 0 HA SER A 43 12.314 -7.383 6.097 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.005 -10.258 6.842 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.957 -9.775 5.523 1.00 0.00 H new ATOM 0 HG SER A 43 14.593 -8.716 5.676 1.00 0.00 H new ATOM 592 N MET A 44 10.109 -8.024 7.147 1.00 0.00 N ATOM 593 CA MET A 44 8.858 -8.137 7.887 1.00 0.00 C ATOM 594 C MET A 44 7.803 -8.878 7.072 1.00 0.00 C ATOM 595 O MET A 44 7.421 -8.440 5.988 1.00 0.00 O ATOM 596 CB MET A 44 8.342 -6.747 8.264 1.00 0.00 C ATOM 597 CG MET A 44 7.098 -6.775 9.140 1.00 0.00 C ATOM 598 SD MET A 44 7.374 -7.605 10.716 1.00 0.00 S ATOM 599 CE MET A 44 8.649 -6.566 11.427 1.00 0.00 C ATOM 0 H MET A 44 10.004 -7.705 6.184 1.00 0.00 H new ATOM 0 HA MET A 44 9.053 -8.708 8.795 1.00 0.00 H new ATOM 0 HB2 MET A 44 9.131 -6.205 8.785 1.00 0.00 H new ATOM 0 HB3 MET A 44 8.122 -6.191 7.353 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.766 -5.753 9.326 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.293 -7.279 8.605 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.691 -6.728 12.504 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.613 -6.818 10.984 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.420 -5.520 11.226 1.00 0.00 H new ATOM 609 N GLU A 45 7.338 -10.003 7.605 1.00 0.00 N ATOM 610 CA GLU A 45 6.317 -10.803 6.940 1.00 0.00 C ATOM 611 C GLU A 45 4.948 -10.147 7.080 1.00 0.00 C ATOM 612 O GLU A 45 4.688 -9.439 8.053 1.00 0.00 O ATOM 613 CB GLU A 45 6.281 -12.214 7.530 1.00 0.00 C ATOM 614 CG GLU A 45 7.654 -12.851 7.669 1.00 0.00 C ATOM 615 CD GLU A 45 7.596 -14.237 8.279 1.00 0.00 C ATOM 616 OE1 GLU A 45 7.645 -14.341 9.522 1.00 0.00 O ATOM 617 OE2 GLU A 45 7.501 -15.221 7.514 1.00 0.00 O ATOM 0 H GLU A 45 7.653 -10.382 8.498 1.00 0.00 H new ATOM 0 HA GLU A 45 6.568 -10.867 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.806 -12.177 8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.658 -12.847 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.124 -12.910 6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.285 -12.213 8.287 1.00 0.00 H new ATOM 624 N VAL A 46 4.074 -10.386 6.107 1.00 0.00 N ATOM 625 CA VAL A 46 2.732 -9.815 6.131 1.00 0.00 C ATOM 626 C VAL A 46 1.665 -10.910 6.107 1.00 0.00 C ATOM 627 O VAL A 46 1.828 -11.926 5.432 1.00 0.00 O ATOM 628 CB VAL A 46 2.504 -8.862 4.941 1.00 0.00 C ATOM 629 CG1 VAL A 46 3.494 -7.708 4.987 1.00 0.00 C ATOM 630 CG2 VAL A 46 2.613 -9.612 3.621 1.00 0.00 C ATOM 0 H VAL A 46 4.270 -10.970 5.294 1.00 0.00 H new ATOM 0 HA VAL A 46 2.646 -9.250 7.059 1.00 0.00 H new ATOM 0 HB VAL A 46 1.496 -8.454 5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.319 -7.045 4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.363 -7.153 5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.510 -8.098 4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.449 -8.920 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.606 -10.052 3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.862 -10.401 3.588 1.00 0.00 H new ATOM 640 N PRO A 47 0.555 -10.717 6.847 1.00 0.00 N ATOM 641 CA PRO A 47 -0.535 -11.674 6.911 1.00 0.00 C ATOM 642 C PRO A 47 -1.718 -11.261 6.041 1.00 0.00 C ATOM 643 O PRO A 47 -2.015 -10.075 5.898 1.00 0.00 O ATOM 644 CB PRO A 47 -0.909 -11.598 8.388 1.00 0.00 C ATOM 645 CG PRO A 47 -0.649 -10.171 8.778 1.00 0.00 C ATOM 646 CD PRO A 47 0.286 -9.581 7.737 1.00 0.00 C ATOM 0 HA PRO A 47 -0.262 -12.666 6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.953 -11.867 8.546 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.309 -12.286 8.984 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.582 -9.608 8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.201 -10.119 9.770 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.178 -8.752 7.203 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.201 -9.197 8.188 1.00 0.00 H new ATOM 654 N ALA A 48 -2.390 -12.248 5.457 1.00 0.00 N ATOM 655 CA ALA A 48 -3.539 -11.984 4.598 1.00 0.00 C ATOM 656 C ALA A 48 -4.672 -11.316 5.377 1.00 0.00 C ATOM 657 O ALA A 48 -4.953 -11.692 6.515 1.00 0.00 O ATOM 658 CB ALA A 48 -4.027 -13.276 3.960 1.00 0.00 C ATOM 0 H ALA A 48 -2.159 -13.236 5.563 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.222 -11.298 3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.885 -13.065 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.227 -13.711 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.319 -13.979 4.740 1.00 0.00 H new ATOM 664 N PRO A 49 -5.339 -10.311 4.774 1.00 0.00 N ATOM 665 CA PRO A 49 -6.444 -9.599 5.424 1.00 0.00 C ATOM 666 C PRO A 49 -7.679 -10.478 5.600 1.00 0.00 C ATOM 667 O PRO A 49 -8.352 -10.421 6.628 1.00 0.00 O ATOM 668 CB PRO A 49 -6.743 -8.444 4.464 1.00 0.00 C ATOM 669 CG PRO A 49 -6.254 -8.914 3.137 1.00 0.00 C ATOM 670 CD PRO A 49 -5.067 -9.791 3.419 1.00 0.00 C ATOM 0 HA PRO A 49 -6.179 -9.275 6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.809 -8.220 4.436 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.233 -7.531 4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.031 -9.467 2.609 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.975 -8.072 2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.980 -10.596 2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.134 -9.228 3.385 1.00 0.00 H new ATOM 678 N PHE A 50 -7.970 -11.291 4.588 1.00 0.00 N ATOM 679 CA PHE A 50 -9.125 -12.185 4.630 1.00 0.00 C ATOM 680 C PHE A 50 -8.844 -13.472 3.861 1.00 0.00 C ATOM 681 O PHE A 50 -8.027 -13.492 2.941 1.00 0.00 O ATOM 682 CB PHE A 50 -10.359 -11.488 4.049 1.00 0.00 C ATOM 683 CG PHE A 50 -10.182 -11.032 2.627 1.00 0.00 C ATOM 684 CD1 PHE A 50 -9.594 -9.809 2.349 1.00 0.00 C ATOM 685 CD2 PHE A 50 -10.599 -11.826 1.571 1.00 0.00 C ATOM 686 CE1 PHE A 50 -9.426 -9.385 1.044 1.00 0.00 C ATOM 687 CE2 PHE A 50 -10.433 -11.408 0.263 1.00 0.00 C ATOM 688 CZ PHE A 50 -9.846 -10.186 0.001 1.00 0.00 C ATOM 0 H PHE A 50 -7.423 -11.350 3.729 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.318 -12.440 5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.208 -12.170 4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.605 -10.626 4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.263 -9.179 3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.059 -12.782 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -8.967 -8.429 0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -10.762 -12.036 -0.552 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.715 -9.857 -1.019 1.00 0.00 H new ATOM 698 N ALA A 51 -9.528 -14.547 4.246 1.00 0.00 N ATOM 699 CA ALA A 51 -9.358 -15.837 3.588 1.00 0.00 C ATOM 700 C ALA A 51 -9.897 -15.790 2.164 1.00 0.00 C ATOM 701 O ALA A 51 -10.747 -14.960 1.843 1.00 0.00 O ATOM 702 CB ALA A 51 -10.053 -16.931 4.384 1.00 0.00 C ATOM 0 H ALA A 51 -10.204 -14.549 5.010 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.293 -16.063 3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -9.918 -17.889 3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.623 -16.982 5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.117 -16.707 4.458 1.00 0.00 H new ATOM 708 N GLY A 52 -9.406 -16.683 1.311 1.00 0.00 N ATOM 709 CA GLY A 52 -9.864 -16.703 -0.069 1.00 0.00 C ATOM 710 C GLY A 52 -9.025 -17.584 -0.968 1.00 0.00 C ATOM 711 O GLY A 52 -7.972 -18.078 -0.566 1.00 0.00 O ATOM 0 H GLY A 52 -8.706 -17.387 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.897 -17.049 -0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.858 -15.686 -0.461 1.00 0.00 H new ATOM 715 N VAL A 53 -9.499 -17.779 -2.195 1.00 0.00 N ATOM 716 CA VAL A 53 -8.798 -18.606 -3.168 1.00 0.00 C ATOM 717 C VAL A 53 -7.969 -17.749 -4.116 1.00 0.00 C ATOM 718 O VAL A 53 -8.455 -16.755 -4.656 1.00 0.00 O ATOM 719 CB VAL A 53 -9.780 -19.459 -3.992 1.00 0.00 C ATOM 720 CG1 VAL A 53 -9.027 -20.394 -4.927 1.00 0.00 C ATOM 721 CG2 VAL A 53 -10.705 -20.244 -3.074 1.00 0.00 C ATOM 0 H VAL A 53 -10.369 -17.373 -2.539 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.138 -19.267 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.389 -18.790 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.740 -20.987 -5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.412 -19.808 -5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.390 -21.057 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.392 -20.841 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.113 -20.902 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.273 -19.552 -2.452 1.00 0.00 H new ATOM 731 N VAL A 54 -6.714 -18.138 -4.312 1.00 0.00 N ATOM 732 CA VAL A 54 -5.817 -17.405 -5.195 1.00 0.00 C ATOM 733 C VAL A 54 -6.165 -17.653 -6.658 1.00 0.00 C ATOM 734 O VAL A 54 -6.276 -18.799 -7.095 1.00 0.00 O ATOM 735 CB VAL A 54 -4.344 -17.794 -4.951 1.00 0.00 C ATOM 736 CG1 VAL A 54 -3.434 -17.169 -5.999 1.00 0.00 C ATOM 737 CG2 VAL A 54 -3.910 -17.382 -3.554 1.00 0.00 C ATOM 0 H VAL A 54 -6.296 -18.957 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.944 -16.346 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.261 -18.878 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.402 -17.459 -5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.728 -17.516 -6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.520 -16.083 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.869 -17.664 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.014 -16.303 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.536 -17.884 -2.816 1.00 0.00 H new ATOM 747 N LYS A 55 -6.337 -16.570 -7.409 1.00 0.00 N ATOM 748 CA LYS A 55 -6.669 -16.666 -8.824 1.00 0.00 C ATOM 749 C LYS A 55 -5.447 -16.369 -9.687 1.00 0.00 C ATOM 750 O LYS A 55 -5.171 -17.081 -10.654 1.00 0.00 O ATOM 751 CB LYS A 55 -7.798 -15.695 -9.173 1.00 0.00 C ATOM 752 CG LYS A 55 -9.104 -15.997 -8.455 1.00 0.00 C ATOM 753 CD LYS A 55 -10.204 -15.024 -8.856 1.00 0.00 C ATOM 754 CE LYS A 55 -10.606 -15.197 -10.314 1.00 0.00 C ATOM 755 NZ LYS A 55 -11.689 -14.254 -10.707 1.00 0.00 N ATOM 0 H LYS A 55 -6.252 -15.615 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.000 -17.685 -9.026 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.483 -14.681 -8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.970 -15.722 -10.249 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.418 -17.016 -8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.947 -15.946 -7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.075 -15.176 -8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.863 -14.002 -8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.737 -15.037 -10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.939 -16.222 -10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.934 -14.404 -11.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.528 -14.423 -10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.363 -13.276 -10.573 1.00 0.00 H new ATOM 769 N GLU A 56 -4.719 -15.315 -9.332 1.00 0.00 N ATOM 770 CA GLU A 56 -3.529 -14.922 -10.077 1.00 0.00 C ATOM 771 C GLU A 56 -2.454 -14.372 -9.146 1.00 0.00 C ATOM 772 O GLU A 56 -2.751 -13.643 -8.199 1.00 0.00 O ATOM 773 CB GLU A 56 -3.890 -13.871 -11.129 1.00 0.00 C ATOM 774 CG GLU A 56 -2.738 -13.517 -12.055 1.00 0.00 C ATOM 775 CD GLU A 56 -3.094 -12.411 -13.030 1.00 0.00 C ATOM 776 OE1 GLU A 56 -3.687 -12.719 -14.086 1.00 0.00 O ATOM 777 OE2 GLU A 56 -2.782 -11.239 -12.738 1.00 0.00 O ATOM 0 H GLU A 56 -4.933 -14.718 -8.533 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.133 -15.809 -10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.725 -14.238 -11.726 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.231 -12.967 -10.625 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.879 -13.209 -11.459 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.438 -14.405 -12.612 1.00 0.00 H new ATOM 784 N LEU A 57 -1.203 -14.728 -9.423 1.00 0.00 N ATOM 785 CA LEU A 57 -0.077 -14.269 -8.617 1.00 0.00 C ATOM 786 C LEU A 57 0.046 -12.747 -8.663 1.00 0.00 C ATOM 787 O LEU A 57 0.445 -12.123 -7.680 1.00 0.00 O ATOM 788 CB LEU A 57 1.222 -14.927 -9.100 1.00 0.00 C ATOM 789 CG LEU A 57 1.462 -14.881 -10.611 1.00 0.00 C ATOM 790 CD1 LEU A 57 2.182 -13.601 -11.006 1.00 0.00 C ATOM 791 CD2 LEU A 57 2.258 -16.097 -11.060 1.00 0.00 C ATOM 0 H LEU A 57 -0.944 -15.334 -10.201 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.256 -14.560 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.061 -14.442 -8.602 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.221 -15.969 -8.781 1.00 0.00 H new ATOM 0 HG LEU A 57 0.493 -14.895 -11.110 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.341 -13.591 -12.084 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.577 -12.740 -10.721 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.144 -13.553 -10.497 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.420 -16.049 -12.137 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.221 -16.111 -10.549 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.705 -17.004 -10.817 1.00 0.00 H new ATOM 803 N LYS A 58 -0.305 -12.165 -9.814 1.00 0.00 N ATOM 804 CA LYS A 58 -0.254 -10.715 -10.020 1.00 0.00 C ATOM 805 C LYS A 58 1.183 -10.218 -10.187 1.00 0.00 C ATOM 806 O LYS A 58 1.460 -9.381 -11.046 1.00 0.00 O ATOM 807 CB LYS A 58 -0.942 -9.978 -8.864 1.00 0.00 C ATOM 808 CG LYS A 58 -1.575 -8.654 -9.266 1.00 0.00 C ATOM 809 CD LYS A 58 -0.534 -7.564 -9.462 1.00 0.00 C ATOM 810 CE LYS A 58 -1.181 -6.239 -9.830 1.00 0.00 C ATOM 811 NZ LYS A 58 -0.176 -5.146 -9.957 1.00 0.00 N ATOM 0 H LYS A 58 -0.632 -12.685 -10.628 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.791 -10.498 -10.944 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.712 -10.624 -8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.211 -9.796 -8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.139 -8.787 -10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.285 -8.344 -8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.047 -7.445 -8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.163 -7.861 -10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.720 -6.347 -10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.915 -5.970 -9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.657 -4.259 -10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.321 -5.025 -9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.510 -5.390 -10.699 1.00 0.00 H new ATOM 825 N VAL A 59 2.098 -10.741 -9.373 1.00 0.00 N ATOM 826 CA VAL A 59 3.498 -10.335 -9.438 1.00 0.00 C ATOM 827 C VAL A 59 4.431 -11.544 -9.438 1.00 0.00 C ATOM 828 O VAL A 59 4.122 -12.580 -8.847 1.00 0.00 O ATOM 829 CB VAL A 59 3.873 -9.412 -8.263 1.00 0.00 C ATOM 830 CG1 VAL A 59 3.059 -8.128 -8.308 1.00 0.00 C ATOM 831 CG2 VAL A 59 3.674 -10.127 -6.934 1.00 0.00 C ATOM 0 H VAL A 59 1.895 -11.445 -8.663 1.00 0.00 H new ATOM 0 HA VAL A 59 3.620 -9.789 -10.374 1.00 0.00 H new ATOM 0 HB VAL A 59 4.927 -9.152 -8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.339 -7.490 -7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.256 -7.605 -9.244 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.998 -8.368 -8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.944 -9.458 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.629 -10.421 -6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.306 -11.015 -6.900 1.00 0.00 H new ATOM 841 N ASN A 60 5.574 -11.400 -10.101 1.00 0.00 N ATOM 842 CA ASN A 60 6.558 -12.476 -10.180 1.00 0.00 C ATOM 843 C ASN A 60 7.515 -12.419 -8.994 1.00 0.00 C ATOM 844 O ASN A 60 7.769 -11.348 -8.442 1.00 0.00 O ATOM 845 CB ASN A 60 7.345 -12.381 -11.489 1.00 0.00 C ATOM 846 CG ASN A 60 6.454 -12.166 -12.700 1.00 0.00 C ATOM 847 OD1 ASN A 60 6.846 -11.502 -13.659 1.00 0.00 O ATOM 848 ND2 ASN A 60 5.252 -12.733 -12.668 1.00 0.00 N ATOM 0 H ASN A 60 5.843 -10.548 -10.592 1.00 0.00 H new ATOM 0 HA ASN A 60 6.026 -13.427 -10.153 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.059 -11.560 -11.419 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.923 -13.295 -11.627 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.616 -12.625 -13.458 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.966 -13.276 -11.853 1.00 0.00 H new ATOM 855 N VAL A 61 8.041 -13.577 -8.606 1.00 0.00 N ATOM 856 CA VAL A 61 8.971 -13.660 -7.486 1.00 0.00 C ATOM 857 C VAL A 61 10.175 -12.749 -7.706 1.00 0.00 C ATOM 858 O VAL A 61 10.860 -12.845 -8.725 1.00 0.00 O ATOM 859 CB VAL A 61 9.467 -15.102 -7.271 1.00 0.00 C ATOM 860 CG1 VAL A 61 10.270 -15.206 -5.983 1.00 0.00 C ATOM 861 CG2 VAL A 61 8.296 -16.073 -7.260 1.00 0.00 C ATOM 0 H VAL A 61 7.838 -14.472 -9.052 1.00 0.00 H new ATOM 0 HA VAL A 61 8.427 -13.336 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 61 10.122 -15.369 -8.100 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.612 -16.232 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.132 -14.541 -6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 61 9.643 -14.919 -5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.666 -17.087 -7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.613 -15.810 -6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.769 -16.019 -8.213 1.00 0.00 H new ATOM 871 N GLY A 62 10.426 -11.867 -6.743 1.00 0.00 N ATOM 872 CA GLY A 62 11.546 -10.950 -6.849 1.00 0.00 C ATOM 873 C GLY A 62 11.144 -9.608 -7.429 1.00 0.00 C ATOM 874 O GLY A 62 11.992 -8.855 -7.912 1.00 0.00 O ATOM 0 H GLY A 62 9.873 -11.771 -5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.983 -10.799 -5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.319 -11.396 -7.475 1.00 0.00 H new ATOM 878 N ASP A 63 9.851 -9.307 -7.380 1.00 0.00 N ATOM 879 CA ASP A 63 9.339 -8.047 -7.907 1.00 0.00 C ATOM 880 C ASP A 63 9.008 -7.079 -6.777 1.00 0.00 C ATOM 881 O ASP A 63 8.070 -7.303 -6.011 1.00 0.00 O ATOM 882 CB ASP A 63 8.097 -8.294 -8.765 1.00 0.00 C ATOM 883 CG ASP A 63 7.558 -7.018 -9.380 1.00 0.00 C ATOM 884 OD1 ASP A 63 8.030 -6.640 -10.473 1.00 0.00 O ATOM 885 OD2 ASP A 63 6.664 -6.395 -8.769 1.00 0.00 O ATOM 0 H ASP A 63 9.138 -9.918 -6.981 1.00 0.00 H new ATOM 0 HA ASP A 63 10.116 -7.600 -8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.341 -9.002 -9.557 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.322 -8.755 -8.153 1.00 0.00 H new ATOM 890 N LYS A 64 9.790 -6.008 -6.680 1.00 0.00 N ATOM 891 CA LYS A 64 9.593 -4.990 -5.650 1.00 0.00 C ATOM 892 C LYS A 64 8.131 -4.561 -5.565 1.00 0.00 C ATOM 893 O LYS A 64 7.366 -4.730 -6.514 1.00 0.00 O ATOM 894 CB LYS A 64 10.475 -3.773 -5.933 1.00 0.00 C ATOM 895 CG LYS A 64 10.167 -3.094 -7.259 1.00 0.00 C ATOM 896 CD LYS A 64 11.092 -1.914 -7.507 1.00 0.00 C ATOM 897 CE LYS A 64 10.788 -1.236 -8.834 1.00 0.00 C ATOM 898 NZ LYS A 64 9.392 -0.718 -8.887 1.00 0.00 N ATOM 0 H LYS A 64 10.572 -5.821 -7.307 1.00 0.00 H new ATOM 0 HA LYS A 64 9.876 -5.427 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.352 -3.050 -5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.520 -4.083 -5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.269 -3.815 -8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.132 -2.753 -7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.988 -1.193 -6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.127 -2.254 -7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.486 -0.414 -8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.943 -1.945 -9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.835 -1.288 -9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.964 -0.777 -7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.401 0.273 -9.201 1.00 0.00 H new ATOM 912 N VAL A 65 7.753 -4.002 -4.420 1.00 0.00 N ATOM 913 CA VAL A 65 6.385 -3.549 -4.205 1.00 0.00 C ATOM 914 C VAL A 65 6.360 -2.123 -3.666 1.00 0.00 C ATOM 915 O VAL A 65 7.358 -1.633 -3.134 1.00 0.00 O ATOM 916 CB VAL A 65 5.640 -4.478 -3.223 1.00 0.00 C ATOM 917 CG1 VAL A 65 6.115 -4.248 -1.796 1.00 0.00 C ATOM 918 CG2 VAL A 65 4.137 -4.280 -3.330 1.00 0.00 C ATOM 0 H VAL A 65 8.376 -3.852 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 65 5.881 -3.575 -5.171 1.00 0.00 H new ATOM 0 HB VAL A 65 5.867 -5.509 -3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.576 -4.913 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.184 -4.453 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.926 -3.213 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.632 -4.945 -2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.888 -3.246 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.811 -4.508 -4.345 1.00 0.00 H new ATOM 928 N LYS A 66 5.217 -1.461 -3.806 1.00 0.00 N ATOM 929 CA LYS A 66 5.063 -0.093 -3.327 1.00 0.00 C ATOM 930 C LYS A 66 3.663 0.131 -2.766 1.00 0.00 C ATOM 931 O LYS A 66 2.731 -0.609 -3.082 1.00 0.00 O ATOM 932 CB LYS A 66 5.339 0.904 -4.454 1.00 0.00 C ATOM 933 CG LYS A 66 6.786 0.915 -4.916 1.00 0.00 C ATOM 934 CD LYS A 66 7.015 1.944 -6.011 1.00 0.00 C ATOM 935 CE LYS A 66 8.475 1.991 -6.434 1.00 0.00 C ATOM 936 NZ LYS A 66 9.367 2.389 -5.311 1.00 0.00 N ATOM 0 H LYS A 66 4.384 -1.850 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 66 5.787 0.067 -2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.697 0.667 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.066 1.904 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.437 1.132 -4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.059 -0.074 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.393 1.704 -6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.705 2.928 -5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.776 1.012 -6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.592 2.696 -7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.294 2.671 -5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.944 3.188 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.487 1.586 -4.662 1.00 0.00 H new ATOM 950 N THR A 67 3.521 1.157 -1.931 1.00 0.00 N ATOM 951 CA THR A 67 2.235 1.477 -1.325 1.00 0.00 C ATOM 952 C THR A 67 1.195 1.819 -2.385 1.00 0.00 C ATOM 953 O THR A 67 1.339 2.798 -3.117 1.00 0.00 O ATOM 954 CB THR A 67 2.355 2.655 -0.342 1.00 0.00 C ATOM 955 OG1 THR A 67 2.878 3.807 -1.017 1.00 0.00 O ATOM 956 CG2 THR A 67 3.258 2.295 0.827 1.00 0.00 C ATOM 0 H THR A 67 4.282 1.780 -1.660 1.00 0.00 H new ATOM 0 HA THR A 67 1.915 0.589 -0.780 1.00 0.00 H new ATOM 0 HB THR A 67 1.360 2.880 0.043 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.596 3.792 -1.955 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.327 3.143 1.508 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.843 1.437 1.357 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.252 2.046 0.456 1.00 0.00 H new ATOM 964 N GLY A 68 0.148 1.003 -2.460 1.00 0.00 N ATOM 965 CA GLY A 68 -0.905 1.232 -3.432 1.00 0.00 C ATOM 966 C GLY A 68 -0.874 0.231 -4.569 1.00 0.00 C ATOM 967 O GLY A 68 -1.721 0.271 -5.462 1.00 0.00 O ATOM 0 H GLY A 68 0.010 0.187 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.873 1.180 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.808 2.239 -3.837 1.00 0.00 H new ATOM 971 N SER A 69 0.104 -0.670 -4.537 1.00 0.00 N ATOM 972 CA SER A 69 0.242 -1.688 -5.575 1.00 0.00 C ATOM 973 C SER A 69 -0.367 -3.013 -5.120 1.00 0.00 C ATOM 974 O SER A 69 -0.089 -3.488 -4.019 1.00 0.00 O ATOM 975 CB SER A 69 1.716 -1.887 -5.933 1.00 0.00 C ATOM 976 OG SER A 69 1.870 -2.899 -6.914 1.00 0.00 O ATOM 0 H SER A 69 0.812 -0.716 -3.804 1.00 0.00 H new ATOM 0 HA SER A 69 -0.295 -1.345 -6.459 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.133 -0.951 -6.303 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.278 -2.155 -5.038 1.00 0.00 H new ATOM 0 HG SER A 69 2.821 -3.006 -7.127 1.00 0.00 H new ATOM 982 N LEU A 70 -1.198 -3.602 -5.975 1.00 0.00 N ATOM 983 CA LEU A 70 -1.842 -4.874 -5.662 1.00 0.00 C ATOM 984 C LEU A 70 -0.820 -6.006 -5.653 1.00 0.00 C ATOM 985 O LEU A 70 0.256 -5.884 -6.239 1.00 0.00 O ATOM 986 CB LEU A 70 -2.954 -5.181 -6.673 1.00 0.00 C ATOM 987 CG LEU A 70 -4.196 -4.282 -6.594 1.00 0.00 C ATOM 988 CD1 LEU A 70 -4.785 -4.293 -5.191 1.00 0.00 C ATOM 989 CD2 LEU A 70 -3.865 -2.861 -7.026 1.00 0.00 C ATOM 0 H LEU A 70 -1.441 -3.220 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.284 -4.793 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.537 -5.105 -7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.268 -6.216 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.944 -4.681 -7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.664 -3.649 -5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.071 -5.310 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.042 -3.928 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.761 -2.243 -6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.094 -2.452 -6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.503 -2.868 -8.054 1.00 0.00 H new ATOM 1001 N ILE A 71 -1.159 -7.105 -4.987 1.00 0.00 N ATOM 1002 CA ILE A 71 -0.261 -8.251 -4.903 1.00 0.00 C ATOM 1003 C ILE A 71 -0.992 -9.563 -5.172 1.00 0.00 C ATOM 1004 O ILE A 71 -0.468 -10.443 -5.853 1.00 0.00 O ATOM 1005 CB ILE A 71 0.424 -8.329 -3.524 1.00 0.00 C ATOM 1006 CG1 ILE A 71 -0.622 -8.291 -2.406 1.00 0.00 C ATOM 1007 CG2 ILE A 71 1.422 -7.189 -3.368 1.00 0.00 C ATOM 1008 CD1 ILE A 71 -0.045 -8.495 -1.021 1.00 0.00 C ATOM 0 H ILE A 71 -2.046 -7.226 -4.499 1.00 0.00 H new ATOM 0 HA ILE A 71 0.497 -8.106 -5.673 1.00 0.00 H new ATOM 0 HB ILE A 71 0.965 -9.273 -3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.138 -7.331 -2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.370 -9.061 -2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.899 -7.255 -2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.180 -7.260 -4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.901 -6.235 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.847 -8.455 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.446 -9.467 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.681 -7.710 -0.810 1.00 0.00 H new ATOM 1020 N MET A 72 -2.201 -9.691 -4.633 1.00 0.00 N ATOM 1021 CA MET A 72 -2.992 -10.903 -4.821 1.00 0.00 C ATOM 1022 C MET A 72 -4.479 -10.584 -4.917 1.00 0.00 C ATOM 1023 O MET A 72 -4.933 -9.534 -4.464 1.00 0.00 O ATOM 1024 CB MET A 72 -2.750 -11.885 -3.672 1.00 0.00 C ATOM 1025 CG MET A 72 -1.365 -12.508 -3.678 1.00 0.00 C ATOM 1026 SD MET A 72 -1.149 -13.728 -2.367 1.00 0.00 S ATOM 1027 CE MET A 72 0.514 -14.299 -2.709 1.00 0.00 C ATOM 0 H MET A 72 -2.653 -8.974 -4.065 1.00 0.00 H new ATOM 0 HA MET A 72 -2.675 -11.360 -5.758 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.900 -11.366 -2.725 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.495 -12.679 -3.722 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.188 -12.982 -4.643 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.617 -11.723 -3.566 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.487 -15.354 -2.983 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.935 -13.721 -3.531 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.133 -14.171 -1.821 1.00 0.00 H new ATOM 1037 N ILE A 73 -5.230 -11.502 -5.516 1.00 0.00 N ATOM 1038 CA ILE A 73 -6.669 -11.341 -5.672 1.00 0.00 C ATOM 1039 C ILE A 73 -7.389 -12.617 -5.252 1.00 0.00 C ATOM 1040 O ILE A 73 -7.128 -13.691 -5.793 1.00 0.00 O ATOM 1041 CB ILE A 73 -7.048 -11.009 -7.129 1.00 0.00 C ATOM 1042 CG1 ILE A 73 -6.151 -9.897 -7.676 1.00 0.00 C ATOM 1043 CG2 ILE A 73 -8.514 -10.607 -7.210 1.00 0.00 C ATOM 1044 CD1 ILE A 73 -6.346 -9.630 -9.155 1.00 0.00 C ATOM 0 H ILE A 73 -4.862 -12.371 -5.903 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.975 -10.511 -5.035 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.898 -11.898 -7.741 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.346 -8.979 -7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.109 -10.162 -7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.771 -10.375 -8.243 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.137 -11.429 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.685 -9.729 -6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.677 -8.830 -9.472 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.123 -10.535 -9.721 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.379 -9.333 -9.338 1.00 0.00 H new ATOM 1056 N PHE A 74 -8.293 -12.498 -4.286 1.00 0.00 N ATOM 1057 CA PHE A 74 -9.031 -13.654 -3.793 1.00 0.00 C ATOM 1058 C PHE A 74 -10.495 -13.607 -4.204 1.00 0.00 C ATOM 1059 O PHE A 74 -11.127 -12.552 -4.174 1.00 0.00 O ATOM 1060 CB PHE A 74 -8.938 -13.731 -2.271 1.00 0.00 C ATOM 1061 CG PHE A 74 -7.533 -13.804 -1.760 1.00 0.00 C ATOM 1062 CD1 PHE A 74 -6.813 -14.981 -1.852 1.00 0.00 C ATOM 1063 CD2 PHE A 74 -6.932 -12.697 -1.185 1.00 0.00 C ATOM 1064 CE1 PHE A 74 -5.520 -15.056 -1.381 1.00 0.00 C ATOM 1065 CE2 PHE A 74 -5.637 -12.763 -0.710 1.00 0.00 C ATOM 1066 CZ PHE A 74 -4.929 -13.946 -0.807 1.00 0.00 C ATOM 0 H PHE A 74 -8.531 -11.617 -3.831 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.579 -14.540 -4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.427 -12.857 -1.841 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.487 -14.607 -1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.269 -15.852 -2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.482 -11.771 -1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.969 -15.981 -1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.179 -11.893 -0.264 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.917 -14.003 -0.435 1.00 0.00 H new ATOM 1076 N GLU A 75 -11.027 -14.762 -4.586 1.00 0.00 N ATOM 1077 CA GLU A 75 -12.424 -14.863 -4.980 1.00 0.00 C ATOM 1078 C GLU A 75 -13.293 -15.041 -3.741 1.00 0.00 C ATOM 1079 O GLU A 75 -13.507 -16.162 -3.276 1.00 0.00 O ATOM 1080 CB GLU A 75 -12.626 -16.034 -5.943 1.00 0.00 C ATOM 1081 CG GLU A 75 -14.057 -16.182 -6.432 1.00 0.00 C ATOM 1082 CD GLU A 75 -14.228 -17.346 -7.388 1.00 0.00 C ATOM 1083 OE1 GLU A 75 -14.466 -18.476 -6.912 1.00 0.00 O ATOM 1084 OE2 GLU A 75 -14.121 -17.128 -8.613 1.00 0.00 O ATOM 0 H GLU A 75 -10.511 -15.641 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.715 -13.946 -5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.969 -15.903 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.323 -16.957 -5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.717 -16.320 -5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.365 -15.261 -6.927 1.00 0.00 H new ATOM 1091 N VAL A 76 -13.784 -13.929 -3.206 1.00 0.00 N ATOM 1092 CA VAL A 76 -14.611 -13.961 -2.009 1.00 0.00 C ATOM 1093 C VAL A 76 -16.058 -13.605 -2.325 1.00 0.00 C ATOM 1094 O VAL A 76 -16.353 -12.497 -2.772 1.00 0.00 O ATOM 1095 CB VAL A 76 -14.069 -13.001 -0.928 1.00 0.00 C ATOM 1096 CG1 VAL A 76 -13.767 -11.633 -1.522 1.00 0.00 C ATOM 1097 CG2 VAL A 76 -15.051 -12.883 0.229 1.00 0.00 C ATOM 0 H VAL A 76 -13.623 -12.995 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.575 -14.981 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 76 -13.138 -13.415 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -13.386 -10.974 -0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -13.019 -11.735 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -14.679 -11.209 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.649 -12.202 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.002 -12.498 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.206 -13.865 0.676 1.00 0.00 H new ATOM 1853 N SER B 43 -14.675 -11.226 -6.312 1.00 0.00 N ATOM 1854 CA SER B 43 -13.271 -11.216 -5.918 1.00 0.00 C ATOM 1855 C SER B 43 -12.850 -9.823 -5.456 1.00 0.00 C ATOM 1856 O SER B 43 -13.328 -8.816 -5.982 1.00 0.00 O ATOM 1857 CB SER B 43 -12.392 -11.669 -7.086 1.00 0.00 C ATOM 1858 OG SER B 43 -12.762 -12.962 -7.530 1.00 0.00 O ATOM 0 HA SER B 43 -13.143 -11.909 -5.087 1.00 0.00 H new ATOM 0 HB2 SER B 43 -12.481 -10.959 -7.909 1.00 0.00 H new ATOM 0 HB3 SER B 43 -11.346 -11.672 -6.779 1.00 0.00 H new ATOM 0 HG SER B 43 -13.705 -13.124 -7.316 1.00 0.00 H new ATOM 1864 N MET B 44 -11.959 -9.772 -4.471 1.00 0.00 N ATOM 1865 CA MET B 44 -11.482 -8.500 -3.939 1.00 0.00 C ATOM 1866 C MET B 44 -9.957 -8.454 -3.911 1.00 0.00 C ATOM 1867 O MET B 44 -9.313 -9.273 -3.253 1.00 0.00 O ATOM 1868 CB MET B 44 -12.035 -8.277 -2.531 1.00 0.00 C ATOM 1869 CG MET B 44 -11.655 -6.934 -1.930 1.00 0.00 C ATOM 1870 SD MET B 44 -12.285 -5.540 -2.885 1.00 0.00 S ATOM 1871 CE MET B 44 -14.049 -5.845 -2.816 1.00 0.00 C ATOM 0 H MET B 44 -11.553 -10.595 -4.026 1.00 0.00 H new ATOM 0 HA MET B 44 -11.837 -7.705 -4.595 1.00 0.00 H new ATOM 0 HB2 MET B 44 -13.122 -8.357 -2.560 1.00 0.00 H new ATOM 0 HB3 MET B 44 -11.674 -9.072 -1.879 1.00 0.00 H new ATOM 0 HG2 MET B 44 -12.039 -6.875 -0.912 1.00 0.00 H new ATOM 0 HG3 MET B 44 -10.569 -6.864 -1.866 1.00 0.00 H new ATOM 0 HE1 MET B 44 -14.587 -4.923 -3.036 1.00 0.00 H new ATOM 0 HE2 MET B 44 -14.316 -6.605 -3.550 1.00 0.00 H new ATOM 0 HE3 MET B 44 -14.319 -6.193 -1.819 1.00 0.00 H new ATOM 1881 N GLU B 45 -9.387 -7.491 -4.627 1.00 0.00 N ATOM 1882 CA GLU B 45 -7.938 -7.333 -4.682 1.00 0.00 C ATOM 1883 C GLU B 45 -7.416 -6.718 -3.388 1.00 0.00 C ATOM 1884 O GLU B 45 -8.129 -5.972 -2.715 1.00 0.00 O ATOM 1885 CB GLU B 45 -7.546 -6.453 -5.871 1.00 0.00 C ATOM 1886 CG GLU B 45 -8.159 -6.898 -7.188 1.00 0.00 C ATOM 1887 CD GLU B 45 -7.734 -6.026 -8.352 1.00 0.00 C ATOM 1888 OE1 GLU B 45 -8.383 -4.983 -8.580 1.00 0.00 O ATOM 1889 OE2 GLU B 45 -6.754 -6.384 -9.037 1.00 0.00 O ATOM 0 H GLU B 45 -9.907 -6.808 -5.178 1.00 0.00 H new ATOM 0 HA GLU B 45 -7.490 -8.319 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -7.850 -5.426 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -6.460 -6.451 -5.968 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -7.872 -7.930 -7.388 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -9.246 -6.880 -7.103 1.00 0.00 H new ATOM 1896 N VAL B 46 -6.172 -7.030 -3.043 1.00 0.00 N ATOM 1897 CA VAL B 46 -5.565 -6.502 -1.828 1.00 0.00 C ATOM 1898 C VAL B 46 -4.284 -5.727 -2.140 1.00 0.00 C ATOM 1899 O VAL B 46 -3.514 -6.121 -3.016 1.00 0.00 O ATOM 1900 CB VAL B 46 -5.246 -7.625 -0.821 1.00 0.00 C ATOM 1901 CG1 VAL B 46 -6.517 -8.356 -0.416 1.00 0.00 C ATOM 1902 CG2 VAL B 46 -4.228 -8.596 -1.401 1.00 0.00 C ATOM 0 H VAL B 46 -5.566 -7.644 -3.586 1.00 0.00 H new ATOM 0 HA VAL B 46 -6.293 -5.825 -1.382 1.00 0.00 H new ATOM 0 HB VAL B 46 -4.812 -7.172 0.071 1.00 0.00 H new ATOM 0 HG11 VAL B 46 -6.272 -9.145 0.295 1.00 0.00 H new ATOM 0 HG12 VAL B 46 -7.209 -7.653 0.047 1.00 0.00 H new ATOM 0 HG13 VAL B 46 -6.981 -8.795 -1.299 1.00 0.00 H new ATOM 0 HG21 VAL B 46 -4.018 -9.380 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL B 46 -4.629 -9.043 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL B 46 -3.307 -8.061 -1.635 1.00 0.00 H new ATOM 1912 N PRO B 47 -4.039 -4.609 -1.428 1.00 0.00 N ATOM 1913 CA PRO B 47 -2.857 -3.787 -1.624 1.00 0.00 C ATOM 1914 C PRO B 47 -1.788 -4.035 -0.564 1.00 0.00 C ATOM 1915 O PRO B 47 -2.100 -4.343 0.588 1.00 0.00 O ATOM 1916 CB PRO B 47 -3.437 -2.387 -1.468 1.00 0.00 C ATOM 1917 CG PRO B 47 -4.537 -2.538 -0.456 1.00 0.00 C ATOM 1918 CD PRO B 47 -4.919 -4.005 -0.418 1.00 0.00 C ATOM 0 HA PRO B 47 -2.355 -3.981 -2.572 1.00 0.00 H new ATOM 0 HB2 PRO B 47 -2.680 -1.681 -1.127 1.00 0.00 H new ATOM 0 HB3 PRO B 47 -3.821 -2.010 -2.416 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -4.204 -2.202 0.526 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -5.396 -1.925 -0.728 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -4.755 -4.438 0.569 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -5.971 -4.153 -0.661 1.00 0.00 H new ATOM 1926 N ALA B 48 -0.528 -3.899 -0.960 1.00 0.00 N ATOM 1927 CA ALA B 48 0.588 -4.108 -0.047 1.00 0.00 C ATOM 1928 C ALA B 48 0.581 -3.069 1.075 1.00 0.00 C ATOM 1929 O ALA B 48 0.326 -1.890 0.831 1.00 0.00 O ATOM 1930 CB ALA B 48 1.903 -4.056 -0.807 1.00 0.00 C ATOM 0 H ALA B 48 -0.254 -3.644 -1.909 1.00 0.00 H new ATOM 0 HA ALA B 48 0.479 -5.094 0.405 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.730 -4.213 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA B 48 1.914 -4.836 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.009 -3.082 -1.284 1.00 0.00 H new ATOM 1936 N PRO B 49 0.864 -3.490 2.324 1.00 0.00 N ATOM 1937 CA PRO B 49 0.883 -2.580 3.474 1.00 0.00 C ATOM 1938 C PRO B 49 2.051 -1.599 3.425 1.00 0.00 C ATOM 1939 O PRO B 49 1.909 -0.432 3.792 1.00 0.00 O ATOM 1940 CB PRO B 49 1.027 -3.519 4.674 1.00 0.00 C ATOM 1941 CG PRO B 49 1.681 -4.739 4.126 1.00 0.00 C ATOM 1942 CD PRO B 49 1.187 -4.877 2.713 1.00 0.00 C ATOM 0 HA PRO B 49 -0.010 -1.956 3.508 1.00 0.00 H new ATOM 0 HB2 PRO B 49 1.631 -3.066 5.461 1.00 0.00 H new ATOM 0 HB3 PRO B 49 0.057 -3.753 5.112 1.00 0.00 H new ATOM 0 HG2 PRO B 49 2.767 -4.644 4.152 1.00 0.00 H new ATOM 0 HG3 PRO B 49 1.423 -5.618 4.717 1.00 0.00 H new ATOM 0 HD2 PRO B 49 1.947 -5.310 2.062 1.00 0.00 H new ATOM 0 HD3 PRO B 49 0.312 -5.524 2.655 1.00 0.00 H new ATOM 1950 N PHE B 50 3.204 -2.080 2.970 1.00 0.00 N ATOM 1951 CA PHE B 50 4.395 -1.243 2.878 1.00 0.00 C ATOM 1952 C PHE B 50 5.288 -1.689 1.724 1.00 0.00 C ATOM 1953 O PHE B 50 5.253 -2.848 1.310 1.00 0.00 O ATOM 1954 CB PHE B 50 5.178 -1.288 4.192 1.00 0.00 C ATOM 1955 CG PHE B 50 5.628 -2.669 4.577 1.00 0.00 C ATOM 1956 CD1 PHE B 50 4.800 -3.505 5.307 1.00 0.00 C ATOM 1957 CD2 PHE B 50 6.881 -3.132 4.205 1.00 0.00 C ATOM 1958 CE1 PHE B 50 5.210 -4.776 5.660 1.00 0.00 C ATOM 1959 CE2 PHE B 50 7.296 -4.402 4.555 1.00 0.00 C ATOM 1960 CZ PHE B 50 6.461 -5.225 5.283 1.00 0.00 C ATOM 0 H PHE B 50 3.339 -3.042 2.660 1.00 0.00 H new ATOM 0 HA PHE B 50 4.074 -0.219 2.689 1.00 0.00 H new ATOM 0 HB2 PHE B 50 6.051 -0.641 4.107 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.556 -0.882 4.990 1.00 0.00 H new ATOM 0 HD1 PHE B 50 3.821 -3.159 5.604 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.539 -2.493 3.636 1.00 0.00 H new ATOM 0 HE1 PHE B 50 4.554 -5.417 6.230 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.274 -4.751 4.259 1.00 0.00 H new ATOM 0 HZ PHE B 50 6.785 -6.218 5.557 1.00 0.00 H new ATOM 1970 N ALA B 51 6.089 -0.760 1.212 1.00 0.00 N ATOM 1971 CA ALA B 51 6.995 -1.052 0.108 1.00 0.00 C ATOM 1972 C ALA B 51 8.172 -1.902 0.577 1.00 0.00 C ATOM 1973 O ALA B 51 8.573 -1.836 1.739 1.00 0.00 O ATOM 1974 CB ALA B 51 7.494 0.240 -0.519 1.00 0.00 C ATOM 0 H ALA B 51 6.129 0.203 1.545 1.00 0.00 H new ATOM 0 HA ALA B 51 6.445 -1.619 -0.643 1.00 0.00 H new ATOM 0 HB1 ALA B 51 8.170 0.008 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA B 51 6.647 0.813 -0.896 1.00 0.00 H new ATOM 0 HB3 ALA B 51 8.024 0.827 0.231 1.00 0.00 H new ATOM 1980 N GLY B 52 8.721 -2.701 -0.334 1.00 0.00 N ATOM 1981 CA GLY B 52 9.849 -3.551 0.005 1.00 0.00 C ATOM 1982 C GLY B 52 10.214 -4.505 -1.115 1.00 0.00 C ATOM 1983 O GLY B 52 9.534 -4.556 -2.140 1.00 0.00 O ATOM 0 H GLY B 52 8.405 -2.775 -1.301 1.00 0.00 H new ATOM 0 HA2 GLY B 52 10.711 -2.928 0.242 1.00 0.00 H new ATOM 0 HA3 GLY B 52 9.612 -4.123 0.902 1.00 0.00 H new ATOM 1987 N VAL B 53 11.288 -5.265 -0.919 1.00 0.00 N ATOM 1988 CA VAL B 53 11.743 -6.218 -1.925 1.00 0.00 C ATOM 1989 C VAL B 53 11.259 -7.630 -1.609 1.00 0.00 C ATOM 1990 O VAL B 53 11.327 -8.079 -0.466 1.00 0.00 O ATOM 1991 CB VAL B 53 13.281 -6.228 -2.038 1.00 0.00 C ATOM 1992 CG1 VAL B 53 13.732 -7.148 -3.163 1.00 0.00 C ATOM 1993 CG2 VAL B 53 13.810 -4.817 -2.250 1.00 0.00 C ATOM 0 H VAL B 53 11.858 -5.239 -0.074 1.00 0.00 H new ATOM 0 HA VAL B 53 11.318 -5.896 -2.876 1.00 0.00 H new ATOM 0 HB VAL B 53 13.691 -6.610 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL B 53 14.820 -7.140 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL B 53 13.387 -8.163 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL B 53 13.312 -6.801 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL B 53 14.897 -4.844 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL B 53 13.391 -4.405 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL B 53 13.522 -4.190 -1.406 1.00 0.00 H new ATOM 2003 N VAL B 54 10.773 -8.323 -2.634 1.00 0.00 N ATOM 2004 CA VAL B 54 10.275 -9.686 -2.475 1.00 0.00 C ATOM 2005 C VAL B 54 11.427 -10.684 -2.364 1.00 0.00 C ATOM 2006 O VAL B 54 12.323 -10.709 -3.208 1.00 0.00 O ATOM 2007 CB VAL B 54 9.362 -10.083 -3.655 1.00 0.00 C ATOM 2008 CG1 VAL B 54 9.029 -11.569 -3.610 1.00 0.00 C ATOM 2009 CG2 VAL B 54 8.088 -9.251 -3.641 1.00 0.00 C ATOM 0 H VAL B 54 10.713 -7.962 -3.586 1.00 0.00 H new ATOM 0 HA VAL B 54 9.695 -9.713 -1.553 1.00 0.00 H new ATOM 0 HB VAL B 54 9.899 -9.885 -4.583 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.385 -11.823 -4.452 1.00 0.00 H new ATOM 0 HG12 VAL B 54 9.949 -12.150 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL B 54 8.514 -11.798 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL B 54 7.454 -9.542 -4.479 1.00 0.00 H new ATOM 0 HG22 VAL B 54 7.554 -9.419 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL B 54 8.342 -8.195 -3.728 1.00 0.00 H new ATOM 2019 N LYS B 55 11.394 -11.507 -1.317 1.00 0.00 N ATOM 2020 CA LYS B 55 12.434 -12.507 -1.095 1.00 0.00 C ATOM 2021 C LYS B 55 11.937 -13.907 -1.449 1.00 0.00 C ATOM 2022 O LYS B 55 12.640 -14.676 -2.107 1.00 0.00 O ATOM 2023 CB LYS B 55 12.901 -12.476 0.362 1.00 0.00 C ATOM 2024 CG LYS B 55 13.532 -11.154 0.772 1.00 0.00 C ATOM 2025 CD LYS B 55 13.985 -11.175 2.225 1.00 0.00 C ATOM 2026 CE LYS B 55 15.145 -12.135 2.437 1.00 0.00 C ATOM 2027 NZ LYS B 55 15.594 -12.160 3.856 1.00 0.00 N ATOM 0 H LYS B 55 10.658 -11.500 -0.610 1.00 0.00 H new ATOM 0 HA LYS B 55 13.274 -12.265 -1.746 1.00 0.00 H new ATOM 0 HB2 LYS B 55 12.050 -12.680 1.012 1.00 0.00 H new ATOM 0 HB3 LYS B 55 13.622 -13.278 0.521 1.00 0.00 H new ATOM 0 HG2 LYS B 55 14.385 -10.942 0.128 1.00 0.00 H new ATOM 0 HG3 LYS B 55 12.814 -10.347 0.626 1.00 0.00 H new ATOM 0 HD2 LYS B 55 14.283 -10.171 2.528 1.00 0.00 H new ATOM 0 HD3 LYS B 55 13.150 -11.466 2.863 1.00 0.00 H new ATOM 0 HE2 LYS B 55 14.846 -13.138 2.133 1.00 0.00 H new ATOM 0 HE3 LYS B 55 15.978 -11.844 1.798 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 16.386 -12.826 3.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 15.904 -11.208 4.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 14.806 -12.463 4.464 1.00 0.00 H new ATOM 2041 N GLU B 56 10.724 -14.231 -1.010 1.00 0.00 N ATOM 2042 CA GLU B 56 10.138 -15.540 -1.281 1.00 0.00 C ATOM 2043 C GLU B 56 8.632 -15.432 -1.498 1.00 0.00 C ATOM 2044 O GLU B 56 7.951 -14.659 -0.823 1.00 0.00 O ATOM 2045 CB GLU B 56 10.428 -16.500 -0.124 1.00 0.00 C ATOM 2046 CG GLU B 56 9.979 -17.929 -0.385 1.00 0.00 C ATOM 2047 CD GLU B 56 10.206 -18.839 0.805 1.00 0.00 C ATOM 2048 OE1 GLU B 56 11.357 -19.279 1.006 1.00 0.00 O ATOM 2049 OE2 GLU B 56 9.232 -19.112 1.539 1.00 0.00 O ATOM 0 H GLU B 56 10.129 -13.606 -0.466 1.00 0.00 H new ATOM 0 HA GLU B 56 10.591 -15.929 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU B 56 11.499 -16.497 0.079 1.00 0.00 H new ATOM 0 HB3 GLU B 56 9.933 -16.132 0.774 1.00 0.00 H new ATOM 0 HG2 GLU B 56 8.920 -17.932 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU B 56 10.518 -18.323 -1.247 1.00 0.00 H new ATOM 2056 N LEU B 57 8.120 -16.213 -2.446 1.00 0.00 N ATOM 2057 CA LEU B 57 6.695 -16.213 -2.754 1.00 0.00 C ATOM 2058 C LEU B 57 5.879 -16.687 -1.555 1.00 0.00 C ATOM 2059 O LEU B 57 4.758 -16.227 -1.340 1.00 0.00 O ATOM 2060 CB LEU B 57 6.420 -17.099 -3.972 1.00 0.00 C ATOM 2061 CG LEU B 57 7.093 -18.475 -3.946 1.00 0.00 C ATOM 2062 CD1 LEU B 57 6.206 -19.500 -3.257 1.00 0.00 C ATOM 2063 CD2 LEU B 57 7.432 -18.926 -5.357 1.00 0.00 C ATOM 0 H LEU B 57 8.673 -16.855 -3.014 1.00 0.00 H new ATOM 0 HA LEU B 57 6.393 -15.192 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU B 57 5.343 -17.241 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU B 57 6.747 -16.570 -4.867 1.00 0.00 H new ATOM 0 HG LEU B 57 8.018 -18.391 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU B 57 6.706 -20.469 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU B 57 6.014 -19.185 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU B 57 5.261 -19.583 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU B 57 7.910 -19.905 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU B 57 6.518 -18.989 -5.948 1.00 0.00 H new ATOM 0 HD23 LEU B 57 8.112 -18.208 -5.815 1.00 0.00 H new ATOM 2075 N LYS B 58 6.460 -17.609 -0.785 1.00 0.00 N ATOM 2076 CA LYS B 58 5.819 -18.167 0.408 1.00 0.00 C ATOM 2077 C LYS B 58 4.701 -19.144 0.038 1.00 0.00 C ATOM 2078 O LYS B 58 4.568 -20.203 0.652 1.00 0.00 O ATOM 2079 CB LYS B 58 5.273 -17.047 1.303 1.00 0.00 C ATOM 2080 CG LYS B 58 5.253 -17.393 2.785 1.00 0.00 C ATOM 2081 CD LYS B 58 4.137 -18.366 3.126 1.00 0.00 C ATOM 2082 CE LYS B 58 4.105 -18.676 4.613 1.00 0.00 C ATOM 2083 NZ LYS B 58 2.961 -19.558 4.973 1.00 0.00 N ATOM 0 H LYS B 58 7.388 -17.990 -0.971 1.00 0.00 H new ATOM 0 HA LYS B 58 6.578 -18.720 0.961 1.00 0.00 H new ATOM 0 HB2 LYS B 58 5.878 -16.152 1.157 1.00 0.00 H new ATOM 0 HB3 LYS B 58 4.260 -16.802 0.984 1.00 0.00 H new ATOM 0 HG2 LYS B 58 6.212 -17.827 3.069 1.00 0.00 H new ATOM 0 HG3 LYS B 58 5.130 -16.481 3.369 1.00 0.00 H new ATOM 0 HD2 LYS B 58 3.179 -17.945 2.820 1.00 0.00 H new ATOM 0 HD3 LYS B 58 4.273 -19.290 2.563 1.00 0.00 H new ATOM 0 HE2 LYS B 58 5.039 -19.157 4.904 1.00 0.00 H new ATOM 0 HE3 LYS B 58 4.037 -17.745 5.176 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 2.976 -19.745 5.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 2.068 -19.089 4.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 3.039 -20.457 4.455 1.00 0.00 H new ATOM 2097 N VAL B 59 3.906 -18.794 -0.969 1.00 0.00 N ATOM 2098 CA VAL B 59 2.805 -19.649 -1.403 1.00 0.00 C ATOM 2099 C VAL B 59 2.791 -19.816 -2.919 1.00 0.00 C ATOM 2100 O VAL B 59 3.197 -18.918 -3.658 1.00 0.00 O ATOM 2101 CB VAL B 59 1.443 -19.086 -0.950 1.00 0.00 C ATOM 2102 CG1 VAL B 59 1.347 -19.070 0.567 1.00 0.00 C ATOM 2103 CG2 VAL B 59 1.227 -17.692 -1.520 1.00 0.00 C ATOM 0 H VAL B 59 4.003 -17.927 -1.498 1.00 0.00 H new ATOM 0 HA VAL B 59 2.965 -20.621 -0.937 1.00 0.00 H new ATOM 0 HB VAL B 59 0.657 -19.737 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL B 59 0.378 -18.669 0.866 1.00 0.00 H new ATOM 0 HG12 VAL B 59 1.453 -20.085 0.949 1.00 0.00 H new ATOM 0 HG13 VAL B 59 2.140 -18.444 0.975 1.00 0.00 H new ATOM 0 HG21 VAL B 59 0.261 -17.310 -1.190 1.00 0.00 H new ATOM 0 HG22 VAL B 59 2.018 -17.029 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL B 59 1.247 -17.737 -2.609 1.00 0.00 H new ATOM 2113 N ASN B 60 2.317 -20.973 -3.374 1.00 0.00 N ATOM 2114 CA ASN B 60 2.244 -21.267 -4.801 1.00 0.00 C ATOM 2115 C ASN B 60 0.920 -20.776 -5.383 1.00 0.00 C ATOM 2116 O ASN B 60 -0.088 -20.707 -4.681 1.00 0.00 O ATOM 2117 CB ASN B 60 2.393 -22.771 -5.045 1.00 0.00 C ATOM 2118 CG ASN B 60 3.552 -23.385 -4.279 1.00 0.00 C ATOM 2119 OD1 ASN B 60 3.495 -24.550 -3.883 1.00 0.00 O ATOM 2120 ND2 ASN B 60 4.613 -22.613 -4.068 1.00 0.00 N ATOM 0 H ASN B 60 1.977 -21.724 -2.773 1.00 0.00 H new ATOM 0 HA ASN B 60 3.061 -20.745 -5.298 1.00 0.00 H new ATOM 0 HB2 ASN B 60 1.469 -23.273 -4.759 1.00 0.00 H new ATOM 0 HB3 ASN B 60 2.535 -22.948 -6.111 1.00 0.00 H new ATOM 0 HD21 ASN B 60 5.419 -22.981 -3.562 1.00 0.00 H new ATOM 0 HD22 ASN B 60 4.622 -21.653 -4.412 1.00 0.00 H new ATOM 2127 N VAL B 61 0.933 -20.437 -6.669 1.00 0.00 N ATOM 2128 CA VAL B 61 -0.265 -19.950 -7.345 1.00 0.00 C ATOM 2129 C VAL B 61 -1.401 -20.963 -7.253 1.00 0.00 C ATOM 2130 O VAL B 61 -1.248 -22.118 -7.651 1.00 0.00 O ATOM 2131 CB VAL B 61 0.012 -19.644 -8.829 1.00 0.00 C ATOM 2132 CG1 VAL B 61 -1.179 -18.945 -9.465 1.00 0.00 C ATOM 2133 CG2 VAL B 61 1.274 -18.807 -8.978 1.00 0.00 C ATOM 0 H VAL B 61 1.760 -20.491 -7.264 1.00 0.00 H new ATOM 0 HA VAL B 61 -0.559 -19.030 -6.839 1.00 0.00 H new ATOM 0 HB VAL B 61 0.168 -20.589 -9.350 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -0.962 -18.738 -10.513 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -2.057 -19.587 -9.396 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -1.373 -18.008 -8.943 1.00 0.00 H new ATOM 0 HG21 VAL B 61 1.452 -18.602 -10.034 1.00 0.00 H new ATOM 0 HG22 VAL B 61 1.152 -17.866 -8.441 1.00 0.00 H new ATOM 0 HG23 VAL B 61 2.123 -19.353 -8.566 1.00 0.00 H new ATOM 2143 N GLY B 62 -2.540 -20.522 -6.728 1.00 0.00 N ATOM 2144 CA GLY B 62 -3.686 -21.403 -6.595 1.00 0.00 C ATOM 2145 C GLY B 62 -3.797 -22.006 -5.209 1.00 0.00 C ATOM 2146 O GLY B 62 -4.517 -22.985 -5.008 1.00 0.00 O ATOM 0 H GLY B 62 -2.690 -19.571 -6.392 1.00 0.00 H new ATOM 0 HA2 GLY B 62 -4.596 -20.846 -6.819 1.00 0.00 H new ATOM 0 HA3 GLY B 62 -3.612 -22.204 -7.331 1.00 0.00 H new ATOM 2150 N ASP B 63 -3.083 -21.421 -4.253 1.00 0.00 N ATOM 2151 CA ASP B 63 -3.105 -21.905 -2.876 1.00 0.00 C ATOM 2152 C ASP B 63 -4.007 -21.031 -2.011 1.00 0.00 C ATOM 2153 O ASP B 63 -3.746 -19.841 -1.833 1.00 0.00 O ATOM 2154 CB ASP B 63 -1.688 -21.929 -2.300 1.00 0.00 C ATOM 2155 CG ASP B 63 -1.649 -22.463 -0.881 1.00 0.00 C ATOM 2156 OD1 ASP B 63 -1.498 -23.692 -0.713 1.00 0.00 O ATOM 2157 OD2 ASP B 63 -1.766 -21.653 0.062 1.00 0.00 O ATOM 0 H ASP B 63 -2.482 -20.611 -4.406 1.00 0.00 H new ATOM 0 HA ASP B 63 -3.504 -22.919 -2.876 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -1.051 -22.545 -2.935 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -1.275 -20.921 -2.317 1.00 0.00 H new ATOM 2162 N LYS B 64 -5.070 -21.630 -1.477 1.00 0.00 N ATOM 2163 CA LYS B 64 -6.018 -20.907 -0.632 1.00 0.00 C ATOM 2164 C LYS B 64 -5.303 -20.189 0.509 1.00 0.00 C ATOM 2165 O LYS B 64 -4.167 -20.521 0.852 1.00 0.00 O ATOM 2166 CB LYS B 64 -7.066 -21.870 -0.069 1.00 0.00 C ATOM 2167 CG LYS B 64 -6.475 -23.000 0.756 1.00 0.00 C ATOM 2168 CD LYS B 64 -7.553 -23.949 1.253 1.00 0.00 C ATOM 2169 CE LYS B 64 -6.964 -25.069 2.094 1.00 0.00 C ATOM 2170 NZ LYS B 64 -6.263 -24.549 3.301 1.00 0.00 N ATOM 0 H LYS B 64 -5.296 -22.615 -1.615 1.00 0.00 H new ATOM 0 HA LYS B 64 -6.514 -20.157 -1.248 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -7.767 -21.309 0.549 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -7.637 -22.295 -0.895 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -5.752 -23.551 0.155 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -5.933 -22.586 1.606 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -8.283 -23.395 1.843 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -8.086 -24.373 0.402 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -7.759 -25.749 2.401 1.00 0.00 H new ATOM 0 HE3 LYS B 64 -6.265 -25.648 1.490 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -5.239 -24.703 3.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -6.452 -23.531 3.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -6.608 -25.049 4.145 1.00 0.00 H new ATOM 2184 N VAL B 65 -5.978 -19.204 1.096 1.00 0.00 N ATOM 2185 CA VAL B 65 -5.409 -18.433 2.195 1.00 0.00 C ATOM 2186 C VAL B 65 -6.395 -18.323 3.353 1.00 0.00 C ATOM 2187 O VAL B 65 -7.600 -18.503 3.172 1.00 0.00 O ATOM 2188 CB VAL B 65 -5.017 -17.013 1.736 1.00 0.00 C ATOM 2189 CG1 VAL B 65 -6.247 -16.125 1.625 1.00 0.00 C ATOM 2190 CG2 VAL B 65 -3.997 -16.405 2.683 1.00 0.00 C ATOM 0 H VAL B 65 -6.921 -18.922 0.828 1.00 0.00 H new ATOM 0 HA VAL B 65 -4.516 -18.962 2.528 1.00 0.00 H new ATOM 0 HB VAL B 65 -4.562 -17.087 0.749 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -5.948 -15.128 1.300 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -6.939 -16.551 0.899 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -6.736 -16.058 2.597 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -3.734 -15.404 2.341 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -4.421 -16.346 3.685 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -3.103 -17.028 2.703 1.00 0.00 H new ATOM 2200 N LYS B 66 -5.880 -18.024 4.543 1.00 0.00 N ATOM 2201 CA LYS B 66 -6.721 -17.886 5.725 1.00 0.00 C ATOM 2202 C LYS B 66 -6.193 -16.793 6.650 1.00 0.00 C ATOM 2203 O LYS B 66 -5.024 -16.416 6.577 1.00 0.00 O ATOM 2204 CB LYS B 66 -6.806 -19.216 6.472 1.00 0.00 C ATOM 2205 CG LYS B 66 -7.503 -20.308 5.676 1.00 0.00 C ATOM 2206 CD LYS B 66 -7.557 -21.613 6.454 1.00 0.00 C ATOM 2207 CE LYS B 66 -8.359 -22.670 5.715 1.00 0.00 C ATOM 2208 NZ LYS B 66 -9.771 -22.247 5.506 1.00 0.00 N ATOM 0 H LYS B 66 -4.886 -17.873 4.712 1.00 0.00 H new ATOM 0 HA LYS B 66 -7.720 -17.599 5.398 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -5.799 -19.547 6.726 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -7.338 -19.064 7.411 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -8.515 -19.989 5.427 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -6.977 -20.466 4.734 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -6.544 -21.977 6.626 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -8.002 -21.436 7.433 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -7.893 -22.871 4.750 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -8.339 -23.602 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -10.354 -23.080 5.285 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -10.129 -21.793 6.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -9.818 -21.572 4.716 1.00 0.00 H new ATOM 2222 N THR B 67 -7.066 -16.288 7.517 1.00 0.00 N ATOM 2223 CA THR B 67 -6.692 -15.235 8.456 1.00 0.00 C ATOM 2224 C THR B 67 -5.581 -15.700 9.392 1.00 0.00 C ATOM 2225 O THR B 67 -5.759 -16.644 10.162 1.00 0.00 O ATOM 2226 CB THR B 67 -7.897 -14.776 9.298 1.00 0.00 C ATOM 2227 OG1 THR B 67 -8.438 -15.885 10.028 1.00 0.00 O ATOM 2228 CG2 THR B 67 -8.976 -14.172 8.412 1.00 0.00 C ATOM 0 H THR B 67 -8.037 -16.591 7.589 1.00 0.00 H new ATOM 0 HA THR B 67 -6.334 -14.395 7.860 1.00 0.00 H new ATOM 0 HB THR B 67 -7.554 -14.014 9.998 1.00 0.00 H new ATOM 0 HG1 THR B 67 -7.710 -16.476 10.312 1.00 0.00 H new ATOM 0 HG21 THR B 67 -9.817 -13.855 9.028 1.00 0.00 H new ATOM 0 HG22 THR B 67 -8.571 -13.311 7.881 1.00 0.00 H new ATOM 0 HG23 THR B 67 -9.314 -14.917 7.692 1.00 0.00 H new ATOM 2236 N GLY B 68 -4.434 -15.030 9.317 1.00 0.00 N ATOM 2237 CA GLY B 68 -3.308 -15.388 10.161 1.00 0.00 C ATOM 2238 C GLY B 68 -2.208 -16.096 9.394 1.00 0.00 C ATOM 2239 O GLY B 68 -1.167 -16.431 9.959 1.00 0.00 O ATOM 0 H GLY B 68 -4.265 -14.246 8.687 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -2.903 -14.487 10.622 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -3.655 -16.032 10.970 1.00 0.00 H new ATOM 2243 N SER B 69 -2.440 -16.324 8.104 1.00 0.00 N ATOM 2244 CA SER B 69 -1.459 -16.997 7.258 1.00 0.00 C ATOM 2245 C SER B 69 -0.646 -15.986 6.456 1.00 0.00 C ATOM 2246 O SER B 69 -1.203 -15.095 5.815 1.00 0.00 O ATOM 2247 CB SER B 69 -2.157 -17.974 6.310 1.00 0.00 C ATOM 2248 OG SER B 69 -1.217 -18.659 5.500 1.00 0.00 O ATOM 0 H SER B 69 -3.297 -16.053 7.622 1.00 0.00 H new ATOM 0 HA SER B 69 -0.779 -17.551 7.905 1.00 0.00 H new ATOM 0 HB2 SER B 69 -2.737 -18.694 6.887 1.00 0.00 H new ATOM 0 HB3 SER B 69 -2.860 -17.432 5.677 1.00 0.00 H new ATOM 0 HG SER B 69 -1.688 -19.278 4.904 1.00 0.00 H new ATOM 2254 N LEU B 70 0.676 -16.132 6.494 1.00 0.00 N ATOM 2255 CA LEU B 70 1.569 -15.234 5.769 1.00 0.00 C ATOM 2256 C LEU B 70 1.440 -15.449 4.264 1.00 0.00 C ATOM 2257 O LEU B 70 0.979 -16.499 3.816 1.00 0.00 O ATOM 2258 CB LEU B 70 3.022 -15.450 6.207 1.00 0.00 C ATOM 2259 CG LEU B 70 3.366 -14.995 7.632 1.00 0.00 C ATOM 2260 CD1 LEU B 70 3.008 -13.529 7.833 1.00 0.00 C ATOM 2261 CD2 LEU B 70 2.661 -15.864 8.664 1.00 0.00 C ATOM 0 H LEU B 70 1.152 -16.865 7.020 1.00 0.00 H new ATOM 0 HA LEU B 70 1.282 -14.209 6.002 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.254 -16.511 6.119 1.00 0.00 H new ATOM 0 HB3 LEU B 70 3.674 -14.923 5.510 1.00 0.00 H new ATOM 0 HG LEU B 70 4.441 -15.107 7.770 1.00 0.00 H new ATOM 0 HD11 LEU B 70 3.261 -13.229 8.850 1.00 0.00 H new ATOM 0 HD12 LEU B 70 3.567 -12.918 7.125 1.00 0.00 H new ATOM 0 HD13 LEU B 70 1.940 -13.389 7.668 1.00 0.00 H new ATOM 0 HD21 LEU B 70 2.920 -15.522 9.666 1.00 0.00 H new ATOM 0 HD22 LEU B 70 1.582 -15.792 8.524 1.00 0.00 H new ATOM 0 HD23 LEU B 70 2.975 -16.901 8.542 1.00 0.00 H new ATOM 2273 N ILE B 71 1.851 -14.450 3.487 1.00 0.00 N ATOM 2274 CA ILE B 71 1.776 -14.537 2.032 1.00 0.00 C ATOM 2275 C ILE B 71 3.066 -14.060 1.372 1.00 0.00 C ATOM 2276 O ILE B 71 3.522 -14.649 0.392 1.00 0.00 O ATOM 2277 CB ILE B 71 0.591 -13.719 1.476 1.00 0.00 C ATOM 2278 CG1 ILE B 71 0.643 -12.278 1.994 1.00 0.00 C ATOM 2279 CG2 ILE B 71 -0.729 -14.376 1.854 1.00 0.00 C ATOM 2280 CD1 ILE B 71 -0.387 -11.367 1.359 1.00 0.00 C ATOM 0 H ILE B 71 2.238 -13.574 3.839 1.00 0.00 H new ATOM 0 HA ILE B 71 1.625 -15.590 1.794 1.00 0.00 H new ATOM 0 HB ILE B 71 0.666 -13.695 0.389 1.00 0.00 H new ATOM 0 HG12 ILE B 71 0.494 -12.284 3.074 1.00 0.00 H new ATOM 0 HG13 ILE B 71 1.637 -11.871 1.811 1.00 0.00 H new ATOM 0 HG21 ILE B 71 -1.556 -13.788 1.455 1.00 0.00 H new ATOM 0 HG22 ILE B 71 -0.766 -15.383 1.438 1.00 0.00 H new ATOM 0 HG23 ILE B 71 -0.812 -14.428 2.940 1.00 0.00 H new ATOM 0 HD11 ILE B 71 -0.291 -10.364 1.774 1.00 0.00 H new ATOM 0 HD12 ILE B 71 -0.226 -11.331 0.282 1.00 0.00 H new ATOM 0 HD13 ILE B 71 -1.387 -11.750 1.564 1.00 0.00 H new ATOM 2292 N MET B 72 3.653 -12.993 1.909 1.00 0.00 N ATOM 2293 CA MET B 72 4.891 -12.448 1.358 1.00 0.00 C ATOM 2294 C MET B 72 5.774 -11.851 2.450 1.00 0.00 C ATOM 2295 O MET B 72 5.298 -11.499 3.528 1.00 0.00 O ATOM 2296 CB MET B 72 4.583 -11.379 0.305 1.00 0.00 C ATOM 2297 CG MET B 72 3.968 -11.931 -0.970 1.00 0.00 C ATOM 2298 SD MET B 72 3.733 -10.663 -2.232 1.00 0.00 S ATOM 2299 CE MET B 72 3.073 -11.639 -3.581 1.00 0.00 C ATOM 0 H MET B 72 3.294 -12.491 2.721 1.00 0.00 H new ATOM 0 HA MET B 72 5.432 -13.272 0.892 1.00 0.00 H new ATOM 0 HB2 MET B 72 3.904 -10.644 0.736 1.00 0.00 H new ATOM 0 HB3 MET B 72 5.504 -10.853 0.054 1.00 0.00 H new ATOM 0 HG2 MET B 72 4.609 -12.719 -1.367 1.00 0.00 H new ATOM 0 HG3 MET B 72 3.007 -12.389 -0.737 1.00 0.00 H new ATOM 0 HE1 MET B 72 3.733 -11.559 -4.445 1.00 0.00 H new ATOM 0 HE2 MET B 72 3.001 -12.682 -3.274 1.00 0.00 H new ATOM 0 HE3 MET B 72 2.082 -11.270 -3.846 1.00 0.00 H new ATOM 2309 N ILE B 73 7.066 -11.745 2.154 1.00 0.00 N ATOM 2310 CA ILE B 73 8.033 -11.178 3.088 1.00 0.00 C ATOM 2311 C ILE B 73 8.904 -10.153 2.372 1.00 0.00 C ATOM 2312 O ILE B 73 9.524 -10.462 1.354 1.00 0.00 O ATOM 2313 CB ILE B 73 8.932 -12.267 3.709 1.00 0.00 C ATOM 2314 CG1 ILE B 73 8.090 -13.472 4.137 1.00 0.00 C ATOM 2315 CG2 ILE B 73 9.700 -11.703 4.897 1.00 0.00 C ATOM 2316 CD1 ILE B 73 8.913 -14.664 4.580 1.00 0.00 C ATOM 0 H ILE B 73 7.470 -12.047 1.267 1.00 0.00 H new ATOM 0 HA ILE B 73 7.474 -10.699 3.892 1.00 0.00 H new ATOM 0 HB ILE B 73 9.650 -12.597 2.958 1.00 0.00 H new ATOM 0 HG12 ILE B 73 7.432 -13.173 4.953 1.00 0.00 H new ATOM 0 HG13 ILE B 73 7.451 -13.771 3.306 1.00 0.00 H new ATOM 0 HG21 ILE B 73 10.330 -12.482 5.326 1.00 0.00 H new ATOM 0 HG22 ILE B 73 10.324 -10.873 4.566 1.00 0.00 H new ATOM 0 HG23 ILE B 73 8.996 -11.350 5.651 1.00 0.00 H new ATOM 0 HD11 ILE B 73 8.248 -15.478 4.868 1.00 0.00 H new ATOM 0 HD12 ILE B 73 9.552 -14.990 3.759 1.00 0.00 H new ATOM 0 HD13 ILE B 73 9.532 -14.382 5.432 1.00 0.00 H new ATOM 2328 N PHE B 74 8.949 -8.934 2.901 1.00 0.00 N ATOM 2329 CA PHE B 74 9.732 -7.871 2.284 1.00 0.00 C ATOM 2330 C PHE B 74 10.914 -7.471 3.156 1.00 0.00 C ATOM 2331 O PHE B 74 10.782 -7.327 4.370 1.00 0.00 O ATOM 2332 CB PHE B 74 8.852 -6.646 2.027 1.00 0.00 C ATOM 2333 CG PHE B 74 7.623 -6.942 1.216 1.00 0.00 C ATOM 2334 CD1 PHE B 74 7.717 -7.181 -0.146 1.00 0.00 C ATOM 2335 CD2 PHE B 74 6.376 -6.982 1.816 1.00 0.00 C ATOM 2336 CE1 PHE B 74 6.586 -7.450 -0.894 1.00 0.00 C ATOM 2337 CE2 PHE B 74 5.242 -7.250 1.075 1.00 0.00 C ATOM 2338 CZ PHE B 74 5.347 -7.486 -0.283 1.00 0.00 C ATOM 0 H PHE B 74 8.455 -8.660 3.750 1.00 0.00 H new ATOM 0 HA PHE B 74 10.116 -8.253 1.338 1.00 0.00 H new ATOM 0 HB2 PHE B 74 8.551 -6.220 2.984 1.00 0.00 H new ATOM 0 HB3 PHE B 74 9.442 -5.888 1.512 1.00 0.00 H new ATOM 0 HD1 PHE B 74 8.683 -7.157 -0.628 1.00 0.00 H new ATOM 0 HD2 PHE B 74 6.289 -6.801 2.877 1.00 0.00 H new ATOM 0 HE1 PHE B 74 6.671 -7.632 -1.955 1.00 0.00 H new ATOM 0 HE2 PHE B 74 4.275 -7.275 1.555 1.00 0.00 H new ATOM 0 HZ PHE B 74 4.463 -7.698 -0.865 1.00 0.00 H new ATOM 2348 N GLU B 75 12.070 -7.294 2.525 1.00 0.00 N ATOM 2349 CA GLU B 75 13.271 -6.894 3.244 1.00 0.00 C ATOM 2350 C GLU B 75 13.257 -5.388 3.479 1.00 0.00 C ATOM 2351 O GLU B 75 13.710 -4.613 2.637 1.00 0.00 O ATOM 2352 CB GLU B 75 14.525 -7.293 2.463 1.00 0.00 C ATOM 2353 CG GLU B 75 15.823 -6.919 3.162 1.00 0.00 C ATOM 2354 CD GLU B 75 17.049 -7.380 2.399 1.00 0.00 C ATOM 2355 OE1 GLU B 75 17.502 -8.520 2.636 1.00 0.00 O ATOM 2356 OE2 GLU B 75 17.555 -6.602 1.563 1.00 0.00 O ATOM 0 H GLU B 75 12.199 -7.421 1.521 1.00 0.00 H new ATOM 0 HA GLU B 75 13.288 -7.406 4.206 1.00 0.00 H new ATOM 0 HB2 GLU B 75 14.510 -8.370 2.294 1.00 0.00 H new ATOM 0 HB3 GLU B 75 14.499 -6.816 1.483 1.00 0.00 H new ATOM 0 HG2 GLU B 75 15.864 -5.837 3.289 1.00 0.00 H new ATOM 0 HG3 GLU B 75 15.834 -7.358 4.160 1.00 0.00 H new ATOM 2363 N VAL B 76 12.726 -4.986 4.625 1.00 0.00 N ATOM 2364 CA VAL B 76 12.639 -3.576 4.976 1.00 0.00 C ATOM 2365 C VAL B 76 13.633 -3.218 6.076 1.00 0.00 C ATOM 2366 O VAL B 76 13.576 -3.765 7.176 1.00 0.00 O ATOM 2367 CB VAL B 76 11.215 -3.207 5.438 1.00 0.00 C ATOM 2368 CG1 VAL B 76 10.660 -4.269 6.376 1.00 0.00 C ATOM 2369 CG2 VAL B 76 11.209 -1.845 6.112 1.00 0.00 C ATOM 0 H VAL B 76 12.348 -5.619 5.330 1.00 0.00 H new ATOM 0 HA VAL B 76 12.883 -3.007 4.079 1.00 0.00 H new ATOM 0 HB VAL B 76 10.573 -3.160 4.558 1.00 0.00 H new ATOM 0 HG11 VAL B 76 9.655 -3.988 6.689 1.00 0.00 H new ATOM 0 HG12 VAL B 76 10.624 -5.228 5.859 1.00 0.00 H new ATOM 0 HG13 VAL B 76 11.303 -4.353 7.252 1.00 0.00 H new ATOM 0 HG21 VAL B 76 10.196 -1.602 6.431 1.00 0.00 H new ATOM 0 HG22 VAL B 76 11.868 -1.866 6.980 1.00 0.00 H new ATOM 0 HG23 VAL B 76 11.559 -1.089 5.409 1.00 0.00 H new