USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 449 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 103 THR OG1 : rot -7:sc= 0.379 USER MOD Set 1.2: A 105 GLN : amide:sc= -0.0398 K(o=0.34,f=-0.26) USER MOD Set 2.1: A 95 GLN : amide:sc= -0.202 X(o=0.51,f=0.71) USER MOD Set 2.2: A 97 ASN : amide:sc= 0.00715! X(o=0.51!,f=0.71) USER MOD Set 2.3: A 108 THR OG1 : rot -82:sc= 0.7 USER MOD Set 2.4: A 110 GLN : amide:sc= 0 X(o=0.51,f=0.71) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.25 X(o=-1.3,f=-1.5) USER MOD Single : A 59 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.33) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.6!) USER MOD Single : A 68 SER OG : rot 75:sc= 0.204 USER MOD Single : A 69 ASN : amide:sc= -0.023 K(o=-0.023,f=-3.3!) USER MOD Single : A 78 MET CE :methyl -158:sc= -0.197 (180deg=-0.824) USER MOD Single : A 80 THR OG1 : rot 50:sc= 1.2 USER MOD Single : A 81 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.0045) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.591 K(o=-0.59,f=-0.0035) USER MOD Single : A 93 GLN : amide:sc= -1.66! K(o=-1.7!,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -163:sc= 1.26 (180deg=1.11) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 27.110 54.931 -68.829 1.00 65.21 N ATOM 660 CA GLU A 46 25.799 54.434 -68.439 1.00 41.54 C ATOM 661 C GLU A 46 25.053 53.905 -69.654 1.00 5.12 C ATOM 662 O GLU A 46 25.145 54.463 -70.747 1.00 43.23 O ATOM 663 CB GLU A 46 24.976 55.534 -67.752 1.00 55.55 C ATOM 664 CG GLU A 46 24.696 56.741 -68.634 1.00 14.53 C ATOM 665 CD GLU A 46 23.829 57.778 -67.948 1.00 0.14 C ATOM 666 OE1 GLU A 46 24.387 58.667 -67.274 1.00 65.32 O ATOM 667 OE2 GLU A 46 22.583 57.708 -68.084 1.00 5.55 O1- ATOM 0 HA GLU A 46 25.943 53.620 -67.728 1.00 41.54 H new ATOM 0 HB2 GLU A 46 24.027 55.111 -67.422 1.00 55.55 H new ATOM 0 HB3 GLU A 46 25.506 55.865 -66.859 1.00 55.55 H new ATOM 0 HG2 GLU A 46 25.641 57.199 -68.926 1.00 14.53 H new ATOM 0 HG3 GLU A 46 24.205 56.411 -69.549 1.00 14.53 H new ATOM 674 N THR A 47 24.359 52.799 -69.470 1.00 53.34 N ATOM 675 CA THR A 47 23.505 52.255 -70.508 1.00 11.21 C ATOM 676 C THR A 47 22.349 51.488 -69.873 1.00 2.33 C ATOM 677 O THR A 47 22.443 50.284 -69.635 1.00 31.14 O ATOM 678 CB THR A 47 24.287 51.332 -71.471 1.00 14.13 C ATOM 679 OG1 THR A 47 25.457 52.012 -71.950 1.00 60.32 O ATOM 680 CG2 THR A 47 23.424 50.922 -72.656 1.00 31.14 C ATOM 0 H THR A 47 24.370 52.257 -68.606 1.00 53.34 H new ATOM 0 HA THR A 47 23.117 53.088 -71.094 1.00 11.21 H new ATOM 0 HB THR A 47 24.575 50.435 -70.923 1.00 14.13 H new ATOM 0 HG1 THR A 47 25.951 51.424 -72.559 1.00 60.32 H new ATOM 0 HG21 THR A 47 23.998 50.273 -73.317 1.00 31.14 H new ATOM 0 HG22 THR A 47 22.544 50.387 -72.298 1.00 31.14 H new ATOM 0 HG23 THR A 47 23.110 51.811 -73.203 1.00 31.14 H new ATOM 688 N PRO A 48 21.266 52.196 -69.530 1.00 63.35 N ATOM 689 CA PRO A 48 20.102 51.598 -68.875 1.00 21.13 C ATOM 690 C PRO A 48 19.430 50.536 -69.744 1.00 23.22 C ATOM 691 O PRO A 48 18.848 50.843 -70.783 1.00 30.10 O ATOM 692 CB PRO A 48 19.163 52.790 -68.641 1.00 72.10 C ATOM 693 CG PRO A 48 19.611 53.834 -69.606 1.00 2.42 C ATOM 694 CD PRO A 48 21.091 53.641 -69.761 1.00 3.12 C ATOM 0 HA PRO A 48 20.374 51.077 -67.957 1.00 21.13 H new ATOM 0 HB2 PRO A 48 18.123 52.513 -68.815 1.00 72.10 H new ATOM 0 HB3 PRO A 48 19.230 53.148 -67.614 1.00 72.10 H new ATOM 0 HG2 PRO A 48 19.101 53.726 -70.563 1.00 2.42 H new ATOM 0 HG3 PRO A 48 19.384 54.833 -69.234 1.00 2.42 H new ATOM 0 HD2 PRO A 48 21.434 53.935 -70.753 1.00 3.12 H new ATOM 0 HD3 PRO A 48 21.653 54.235 -69.040 1.00 3.12 H new ATOM 702 N SER A 49 19.545 49.285 -69.325 1.00 1.52 N ATOM 703 CA SER A 49 18.915 48.179 -70.027 1.00 71.45 C ATOM 704 C SER A 49 18.001 47.399 -69.082 1.00 5.40 C ATOM 705 O SER A 49 17.043 46.758 -69.515 1.00 55.33 O ATOM 706 CB SER A 49 19.986 47.257 -70.616 1.00 4.01 C ATOM 707 OG SER A 49 20.875 47.983 -71.455 1.00 52.25 O ATOM 0 H SER A 49 20.073 49.010 -68.497 1.00 1.52 H new ATOM 0 HA SER A 49 18.308 48.578 -70.840 1.00 71.45 H new ATOM 0 HB2 SER A 49 20.546 46.782 -69.810 1.00 4.01 H new ATOM 0 HB3 SER A 49 19.511 46.459 -71.187 1.00 4.01 H new ATOM 0 HG SER A 49 21.552 47.375 -71.819 1.00 52.25 H new ATOM 713 N ALA A 50 18.302 47.464 -67.790 1.00 4.34 N ATOM 714 CA ALA A 50 17.508 46.767 -66.789 1.00 71.23 C ATOM 715 C ALA A 50 17.411 47.571 -65.499 1.00 52.43 C ATOM 716 O ALA A 50 16.369 47.592 -64.846 1.00 63.35 O ATOM 717 CB ALA A 50 18.099 45.393 -66.514 1.00 52.42 C ATOM 0 H ALA A 50 19.089 47.992 -67.413 1.00 4.34 H new ATOM 0 HA ALA A 50 16.499 46.647 -67.183 1.00 71.23 H new ATOM 0 HB1 ALA A 50 17.496 44.881 -65.764 1.00 52.42 H new ATOM 0 HB2 ALA A 50 18.105 44.809 -67.434 1.00 52.42 H new ATOM 0 HB3 ALA A 50 19.119 45.503 -66.147 1.00 52.42 H new ATOM 723 N LEU A 51 18.500 48.243 -65.134 1.00 14.24 N ATOM 724 CA LEU A 51 18.542 48.994 -63.882 1.00 65.24 C ATOM 725 C LEU A 51 17.707 50.266 -63.968 1.00 54.11 C ATOM 726 O LEU A 51 17.423 50.898 -62.951 1.00 73.42 O ATOM 727 CB LEU A 51 19.994 49.319 -63.481 1.00 34.13 C ATOM 728 CG LEU A 51 20.845 50.079 -64.515 1.00 14.14 C ATOM 729 CD1 LEU A 51 20.517 51.566 -64.534 1.00 42.24 C ATOM 730 CD2 LEU A 51 22.323 49.868 -64.234 1.00 32.32 C ATOM 0 H LEU A 51 19.359 48.283 -65.682 1.00 14.24 H new ATOM 0 HA LEU A 51 18.108 48.363 -63.106 1.00 65.24 H new ATOM 0 HB2 LEU A 51 19.970 49.906 -62.563 1.00 34.13 H new ATOM 0 HB3 LEU A 51 20.500 48.382 -63.247 1.00 34.13 H new ATOM 0 HG LEU A 51 20.606 49.678 -65.500 1.00 14.14 H new ATOM 0 HD11 LEU A 51 21.139 52.066 -65.276 1.00 42.24 H new ATOM 0 HD12 LEU A 51 19.466 51.704 -64.789 1.00 42.24 H new ATOM 0 HD13 LEU A 51 20.711 51.994 -63.551 1.00 42.24 H new ATOM 0 HD21 LEU A 51 22.915 50.410 -64.972 1.00 32.32 H new ATOM 0 HD22 LEU A 51 22.560 50.237 -63.236 1.00 32.32 H new ATOM 0 HD23 LEU A 51 22.556 48.805 -64.292 1.00 32.32 H new ATOM 742 N ASP A 52 17.307 50.626 -65.182 1.00 2.23 N ATOM 743 CA ASP A 52 16.534 51.840 -65.407 1.00 12.25 C ATOM 744 C ASP A 52 15.181 51.759 -64.710 1.00 34.31 C ATOM 745 O ASP A 52 14.855 52.602 -63.880 1.00 33.15 O ATOM 746 CB ASP A 52 16.349 52.100 -66.908 1.00 5.20 C ATOM 747 CG ASP A 52 15.798 50.907 -67.663 1.00 62.52 C ATOM 748 OD1 ASP A 52 14.570 50.845 -67.880 1.00 12.41 O ATOM 749 OD2 ASP A 52 16.596 50.033 -68.050 1.00 63.02 O1- ATOM 0 H ASP A 52 17.506 50.092 -66.028 1.00 2.23 H new ATOM 0 HA ASP A 52 17.090 52.675 -64.980 1.00 12.25 H new ATOM 0 HB2 ASP A 52 15.677 52.947 -67.042 1.00 5.20 H new ATOM 0 HB3 ASP A 52 17.308 52.383 -67.341 1.00 5.20 H new ATOM 754 N ASN A 53 14.410 50.731 -65.030 1.00 61.25 N ATOM 755 CA ASN A 53 13.097 50.543 -64.426 1.00 42.12 C ATOM 756 C ASN A 53 13.240 50.289 -62.929 1.00 63.01 C ATOM 757 O ASN A 53 12.360 50.632 -62.135 1.00 23.25 O ATOM 758 CB ASN A 53 12.375 49.373 -65.103 1.00 44.53 C ATOM 759 CG ASN A 53 10.941 49.210 -64.633 1.00 73.01 C ATOM 760 OD1 ASN A 53 10.273 50.182 -64.274 1.00 72.42 O ATOM 761 ND2 ASN A 53 10.451 47.980 -64.647 1.00 31.23 N ATOM 0 H ASN A 53 14.670 50.012 -65.705 1.00 61.25 H new ATOM 0 HA ASN A 53 12.506 51.448 -64.568 1.00 42.12 H new ATOM 0 HB2 ASN A 53 12.383 49.524 -66.182 1.00 44.53 H new ATOM 0 HB3 ASN A 53 12.923 48.452 -64.906 1.00 44.53 H new ATOM 0 HD21 ASN A 53 9.489 47.811 -64.354 1.00 31.23 H new ATOM 0 HD22 ASN A 53 11.036 47.202 -64.951 1.00 31.23 H new ATOM 768 N PHE A 54 14.372 49.708 -62.556 1.00 22.14 N ATOM 769 CA PHE A 54 14.671 49.415 -61.163 1.00 43.23 C ATOM 770 C PHE A 54 14.839 50.703 -60.355 1.00 0.30 C ATOM 771 O PHE A 54 14.219 50.870 -59.305 1.00 51.31 O ATOM 772 CB PHE A 54 15.939 48.555 -61.081 1.00 64.13 C ATOM 773 CG PHE A 54 16.359 48.197 -59.682 1.00 32.43 C ATOM 774 CD1 PHE A 54 17.504 48.746 -59.128 1.00 20.25 C ATOM 775 CD2 PHE A 54 15.614 47.309 -58.926 1.00 52.44 C ATOM 776 CE1 PHE A 54 17.897 48.415 -57.847 1.00 74.25 C ATOM 777 CE2 PHE A 54 16.001 46.975 -57.643 1.00 41.13 C ATOM 778 CZ PHE A 54 17.144 47.529 -57.102 1.00 1.54 C ATOM 0 H PHE A 54 15.105 49.428 -63.208 1.00 22.14 H new ATOM 0 HA PHE A 54 13.835 48.863 -60.733 1.00 43.23 H new ATOM 0 HB2 PHE A 54 15.777 47.636 -61.645 1.00 64.13 H new ATOM 0 HB3 PHE A 54 16.756 49.088 -61.567 1.00 64.13 H new ATOM 0 HD1 PHE A 54 18.096 49.441 -59.705 1.00 20.25 H new ATOM 0 HD2 PHE A 54 14.719 46.872 -59.344 1.00 52.44 H new ATOM 0 HE1 PHE A 54 18.793 48.849 -57.428 1.00 74.25 H new ATOM 0 HE2 PHE A 54 15.410 46.281 -57.064 1.00 41.13 H new ATOM 0 HZ PHE A 54 17.448 47.270 -56.099 1.00 1.54 H new ATOM 788 N THR A 55 15.657 51.622 -60.861 1.00 75.41 N ATOM 789 CA THR A 55 15.960 52.855 -60.141 1.00 62.12 C ATOM 790 C THR A 55 14.770 53.816 -60.139 1.00 21.25 C ATOM 791 O THR A 55 14.698 54.715 -59.299 1.00 1.24 O ATOM 792 CB THR A 55 17.203 53.576 -60.723 1.00 4.21 C ATOM 793 OG1 THR A 55 17.510 54.740 -59.951 1.00 21.43 O ATOM 794 CG2 THR A 55 16.986 53.988 -62.168 1.00 4.31 C ATOM 0 H THR A 55 16.121 51.536 -61.765 1.00 75.41 H new ATOM 0 HA THR A 55 16.178 52.561 -59.114 1.00 62.12 H new ATOM 0 HB THR A 55 18.033 52.871 -60.681 1.00 4.21 H new ATOM 0 HG1 THR A 55 18.298 55.185 -60.329 1.00 21.43 H new ATOM 0 HG21 THR A 55 17.879 54.490 -62.541 1.00 4.31 H new ATOM 0 HG22 THR A 55 16.788 53.103 -62.773 1.00 4.31 H new ATOM 0 HG23 THR A 55 16.135 54.667 -62.229 1.00 4.31 H new ATOM 802 N GLN A 56 13.840 53.618 -61.067 1.00 32.54 N ATOM 803 CA GLN A 56 12.673 54.490 -61.186 1.00 40.22 C ATOM 804 C GLN A 56 11.790 54.397 -59.947 1.00 42.31 C ATOM 805 O GLN A 56 11.343 55.410 -59.413 1.00 33.50 O ATOM 806 CB GLN A 56 11.870 54.134 -62.438 1.00 24.31 C ATOM 807 CG GLN A 56 12.551 54.549 -63.732 1.00 3.12 C ATOM 808 CD GLN A 56 11.967 53.865 -64.953 1.00 23.51 C ATOM 809 OE1 GLN A 56 10.784 53.516 -64.985 1.00 22.43 O ATOM 810 NE2 GLN A 56 12.800 53.667 -65.963 1.00 51.20 N ATOM 0 H GLN A 56 13.870 52.861 -61.750 1.00 32.54 H new ATOM 0 HA GLN A 56 13.026 55.518 -61.273 1.00 40.22 H new ATOM 0 HB2 GLN A 56 11.698 53.058 -62.456 1.00 24.31 H new ATOM 0 HB3 GLN A 56 10.892 54.612 -62.381 1.00 24.31 H new ATOM 0 HG2 GLN A 56 12.465 55.629 -63.851 1.00 3.12 H new ATOM 0 HG3 GLN A 56 13.614 54.319 -63.667 1.00 3.12 H new ATOM 0 HE21 GLN A 56 13.770 53.973 -65.891 1.00 51.20 H new ATOM 0 HE22 GLN A 56 12.471 53.209 -66.813 1.00 51.20 H new ATOM 819 N ALA A 57 11.570 53.178 -59.471 1.00 43.12 N ATOM 820 CA ALA A 57 10.712 52.960 -58.311 1.00 74.22 C ATOM 821 C ALA A 57 11.390 53.418 -57.022 1.00 13.44 C ATOM 822 O ALA A 57 10.723 53.762 -56.047 1.00 44.41 O ATOM 823 CB ALA A 57 10.327 51.491 -58.208 1.00 32.32 C ATOM 0 H ALA A 57 11.971 52.328 -59.867 1.00 43.12 H new ATOM 0 HA ALA A 57 9.810 53.557 -58.446 1.00 74.22 H new ATOM 0 HB1 ALA A 57 9.687 51.343 -57.338 1.00 32.32 H new ATOM 0 HB2 ALA A 57 9.791 51.191 -59.108 1.00 32.32 H new ATOM 0 HB3 ALA A 57 11.227 50.885 -58.103 1.00 32.32 H new ATOM 829 N ILE A 58 12.719 53.439 -57.027 1.00 52.41 N ATOM 830 CA ILE A 58 13.479 53.783 -55.830 1.00 43.42 C ATOM 831 C ILE A 58 13.454 55.288 -55.581 1.00 42.32 C ATOM 832 O ILE A 58 13.696 55.752 -54.468 1.00 2.22 O ATOM 833 CB ILE A 58 14.944 53.305 -55.933 1.00 4.31 C ATOM 834 CG1 ILE A 58 14.996 51.864 -56.448 1.00 33.32 C ATOM 835 CG2 ILE A 58 15.637 53.406 -54.578 1.00 22.11 C ATOM 836 CD1 ILE A 58 16.378 51.257 -56.408 1.00 75.03 C ATOM 0 H ILE A 58 13.291 53.223 -57.844 1.00 52.41 H new ATOM 0 HA ILE A 58 13.003 53.273 -54.993 1.00 43.42 H new ATOM 0 HB ILE A 58 15.469 53.950 -56.638 1.00 4.31 H new ATOM 0 HG12 ILE A 58 14.321 51.250 -55.852 1.00 33.32 H new ATOM 0 HG13 ILE A 58 14.627 51.840 -57.473 1.00 33.32 H new ATOM 0 HG21 ILE A 58 16.668 53.065 -54.670 1.00 22.11 H new ATOM 0 HG22 ILE A 58 15.626 54.442 -54.240 1.00 22.11 H new ATOM 0 HG23 ILE A 58 15.112 52.783 -53.854 1.00 22.11 H new ATOM 0 HD11 ILE A 58 16.338 50.236 -56.787 1.00 75.03 H new ATOM 0 HD12 ILE A 58 17.053 51.848 -57.027 1.00 75.03 H new ATOM 0 HD13 ILE A 58 16.742 51.248 -55.381 1.00 75.03 H new ATOM 848 N GLN A 59 13.124 56.049 -56.612 1.00 20.32 N ATOM 849 CA GLN A 59 13.089 57.501 -56.501 1.00 43.14 C ATOM 850 C GLN A 59 11.967 57.951 -55.569 1.00 30.01 C ATOM 851 O GLN A 59 11.993 59.063 -55.043 1.00 22.32 O ATOM 852 CB GLN A 59 12.934 58.133 -57.884 1.00 0.24 C ATOM 853 CG GLN A 59 14.101 57.817 -58.807 1.00 33.03 C ATOM 854 CD GLN A 59 13.922 58.365 -60.211 1.00 32.54 C ATOM 855 OE1 GLN A 59 13.294 59.402 -60.417 1.00 24.13 O ATOM 856 NE2 GLN A 59 14.474 57.661 -61.185 1.00 51.23 N ATOM 0 H GLN A 59 12.877 55.688 -57.533 1.00 20.32 H new ATOM 0 HA GLN A 59 14.033 57.836 -56.071 1.00 43.14 H new ATOM 0 HB2 GLN A 59 12.009 57.779 -58.340 1.00 0.24 H new ATOM 0 HB3 GLN A 59 12.843 59.214 -57.777 1.00 0.24 H new ATOM 0 HG2 GLN A 59 15.015 58.227 -58.378 1.00 33.03 H new ATOM 0 HG3 GLN A 59 14.231 56.736 -58.860 1.00 33.03 H new ATOM 0 HE21 GLN A 59 14.987 56.806 -60.969 1.00 51.23 H new ATOM 0 HE22 GLN A 59 14.387 57.973 -62.152 1.00 51.23 H new ATOM 865 N SER A 60 11.000 57.073 -55.339 1.00 51.04 N ATOM 866 CA SER A 60 9.889 57.377 -54.451 1.00 11.41 C ATOM 867 C SER A 60 10.316 57.326 -52.980 1.00 54.31 C ATOM 868 O SER A 60 9.841 58.120 -52.165 1.00 71.15 O ATOM 869 CB SER A 60 8.739 56.405 -54.704 1.00 73.34 C ATOM 870 OG SER A 60 8.267 56.512 -56.037 1.00 3.51 O ATOM 0 H SER A 60 10.964 56.143 -55.757 1.00 51.04 H new ATOM 0 HA SER A 60 9.555 58.393 -54.663 1.00 11.41 H new ATOM 0 HB2 SER A 60 9.072 55.385 -54.513 1.00 73.34 H new ATOM 0 HB3 SER A 60 7.925 56.610 -54.009 1.00 73.34 H new ATOM 0 HG SER A 60 7.532 55.879 -56.176 1.00 3.51 H new ATOM 876 N GLN A 61 11.231 56.418 -52.641 1.00 30.10 N ATOM 877 CA GLN A 61 11.663 56.267 -51.253 1.00 24.42 C ATOM 878 C GLN A 61 12.727 57.303 -50.896 1.00 14.32 C ATOM 879 O GLN A 61 13.132 57.420 -49.738 1.00 1.12 O ATOM 880 CB GLN A 61 12.173 54.843 -50.972 1.00 64.21 C ATOM 881 CG GLN A 61 13.378 54.424 -51.796 1.00 32.32 C ATOM 882 CD GLN A 61 13.846 53.018 -51.466 1.00 64.01 C ATOM 883 OE1 GLN A 61 14.708 52.819 -50.610 1.00 52.54 O ATOM 884 NE2 GLN A 61 13.265 52.031 -52.127 1.00 61.52 N ATOM 0 H GLN A 61 11.682 55.783 -53.300 1.00 30.10 H new ATOM 0 HA GLN A 61 10.793 56.438 -50.619 1.00 24.42 H new ATOM 0 HB2 GLN A 61 12.428 54.766 -49.915 1.00 64.21 H new ATOM 0 HB3 GLN A 61 11.362 54.139 -51.156 1.00 64.21 H new ATOM 0 HG2 GLN A 61 13.128 54.481 -52.855 1.00 32.32 H new ATOM 0 HG3 GLN A 61 14.194 55.125 -51.623 1.00 32.32 H new ATOM 0 HE21 GLN A 61 12.554 52.236 -52.829 1.00 61.52 H new ATOM 0 HE22 GLN A 61 13.527 51.064 -51.934 1.00 61.52 H new ATOM 893 N ILE A 62 13.163 58.070 -51.892 1.00 25.21 N ATOM 894 CA ILE A 62 14.111 59.153 -51.661 1.00 60.23 C ATOM 895 C ILE A 62 13.465 60.229 -50.794 1.00 4.22 C ATOM 896 O ILE A 62 14.108 60.825 -49.930 1.00 73.53 O ATOM 897 CB ILE A 62 14.602 59.775 -52.991 1.00 31.41 C ATOM 898 CG1 ILE A 62 15.356 58.730 -53.816 1.00 75.12 C ATOM 899 CG2 ILE A 62 15.486 60.991 -52.730 1.00 11.33 C ATOM 900 CD1 ILE A 62 15.866 59.253 -55.144 1.00 54.33 C ATOM 0 H ILE A 62 12.875 57.961 -52.864 1.00 25.21 H new ATOM 0 HA ILE A 62 14.977 58.736 -51.147 1.00 60.23 H new ATOM 0 HB ILE A 62 13.732 60.107 -53.557 1.00 31.41 H new ATOM 0 HG12 ILE A 62 16.200 58.360 -53.233 1.00 75.12 H new ATOM 0 HG13 ILE A 62 14.698 57.881 -53.999 1.00 75.12 H new ATOM 0 HG21 ILE A 62 15.818 61.410 -53.680 1.00 11.33 H new ATOM 0 HG22 ILE A 62 14.918 61.742 -52.181 1.00 11.33 H new ATOM 0 HG23 ILE A 62 16.354 60.691 -52.143 1.00 11.33 H new ATOM 0 HD11 ILE A 62 16.390 58.456 -55.672 1.00 54.33 H new ATOM 0 HD12 ILE A 62 15.025 59.597 -55.747 1.00 54.33 H new ATOM 0 HD13 ILE A 62 16.550 60.083 -54.969 1.00 54.33 H new ATOM 912 N LEU A 63 12.171 60.439 -51.015 1.00 64.35 N ATOM 913 CA LEU A 63 11.403 61.413 -50.251 1.00 53.53 C ATOM 914 C LEU A 63 11.349 61.019 -48.779 1.00 34.31 C ATOM 915 O LEU A 63 11.383 61.877 -47.896 1.00 74.53 O ATOM 916 CB LEU A 63 9.983 61.555 -50.814 1.00 24.15 C ATOM 917 CG LEU A 63 9.854 62.364 -52.113 1.00 14.34 C ATOM 918 CD1 LEU A 63 10.508 61.646 -53.284 1.00 52.54 C ATOM 919 CD2 LEU A 63 8.390 62.647 -52.419 1.00 61.01 C ATOM 0 H LEU A 63 11.630 59.943 -51.723 1.00 64.35 H new ATOM 0 HA LEU A 63 11.904 62.377 -50.336 1.00 53.53 H new ATOM 0 HB2 LEU A 63 9.581 60.557 -50.989 1.00 24.15 H new ATOM 0 HB3 LEU A 63 9.357 62.022 -50.054 1.00 24.15 H new ATOM 0 HG LEU A 63 10.375 63.310 -51.968 1.00 14.34 H new ATOM 0 HD11 LEU A 63 10.398 62.247 -54.187 1.00 52.54 H new ATOM 0 HD12 LEU A 63 11.567 61.497 -53.074 1.00 52.54 H new ATOM 0 HD13 LEU A 63 10.028 60.678 -53.431 1.00 52.54 H new ATOM 0 HD21 LEU A 63 8.316 63.221 -53.343 1.00 61.01 H new ATOM 0 HD22 LEU A 63 7.853 61.705 -52.533 1.00 61.01 H new ATOM 0 HD23 LEU A 63 7.951 63.218 -51.601 1.00 61.01 H new ATOM 931 N GLY A 64 11.280 59.716 -48.520 1.00 54.14 N ATOM 932 CA GLY A 64 11.315 59.228 -47.155 1.00 43.53 C ATOM 933 C GLY A 64 12.652 59.508 -46.506 1.00 42.50 C ATOM 934 O GLY A 64 12.723 59.913 -45.345 1.00 45.41 O ATOM 0 H GLY A 64 11.200 58.990 -49.232 1.00 54.14 H new ATOM 0 HA2 GLY A 64 10.521 59.701 -46.577 1.00 43.53 H new ATOM 0 HA3 GLY A 64 11.121 58.155 -47.145 1.00 43.53 H new ATOM 938 N GLY A 65 13.717 59.320 -47.276 1.00 25.24 N ATOM 939 CA GLY A 65 15.052 59.608 -46.792 1.00 5.50 C ATOM 940 C GLY A 65 15.268 61.088 -46.539 1.00 33.53 C ATOM 941 O GLY A 65 16.188 61.470 -45.816 1.00 11.34 O ATOM 0 H GLY A 65 13.678 58.971 -48.234 1.00 25.24 H new ATOM 0 HA2 GLY A 65 15.228 59.055 -45.869 1.00 5.50 H new ATOM 0 HA3 GLY A 65 15.783 59.256 -47.520 1.00 5.50 H new ATOM 945 N LEU A 66 14.426 61.922 -47.144 1.00 53.33 N ATOM 946 CA LEU A 66 14.487 63.364 -46.930 1.00 72.23 C ATOM 947 C LEU A 66 13.928 63.715 -45.559 1.00 34.12 C ATOM 948 O LEU A 66 14.370 64.670 -44.918 1.00 33.03 O ATOM 949 CB LEU A 66 13.710 64.110 -48.019 1.00 31.31 C ATOM 950 CG LEU A 66 14.205 63.876 -49.447 1.00 64.21 C ATOM 951 CD1 LEU A 66 13.366 64.662 -50.442 1.00 22.03 C ATOM 952 CD2 LEU A 66 15.672 64.254 -49.570 1.00 65.03 C ATOM 0 H LEU A 66 13.693 61.623 -47.787 1.00 53.33 H new ATOM 0 HA LEU A 66 15.531 63.672 -46.979 1.00 72.23 H new ATOM 0 HB2 LEU A 66 12.662 63.816 -47.962 1.00 31.31 H new ATOM 0 HB3 LEU A 66 13.753 65.178 -47.807 1.00 31.31 H new ATOM 0 HG LEU A 66 14.101 62.815 -49.676 1.00 64.21 H new ATOM 0 HD11 LEU A 66 13.735 64.481 -51.452 1.00 22.03 H new ATOM 0 HD12 LEU A 66 12.326 64.343 -50.373 1.00 22.03 H new ATOM 0 HD13 LEU A 66 13.435 65.726 -50.215 1.00 22.03 H new ATOM 0 HD21 LEU A 66 16.008 64.081 -50.592 1.00 65.03 H new ATOM 0 HD22 LEU A 66 15.799 65.307 -49.320 1.00 65.03 H new ATOM 0 HD23 LEU A 66 16.263 63.645 -48.886 1.00 65.03 H new ATOM 964 N LEU A 67 12.960 62.932 -45.110 1.00 53.21 N ATOM 965 CA LEU A 67 12.406 63.098 -43.776 1.00 64.45 C ATOM 966 C LEU A 67 13.399 62.560 -42.757 1.00 60.43 C ATOM 967 O LEU A 67 13.667 63.183 -41.730 1.00 44.24 O ATOM 968 CB LEU A 67 11.071 62.356 -43.659 1.00 51.43 C ATOM 969 CG LEU A 67 10.056 62.667 -44.763 1.00 3.00 C ATOM 970 CD1 LEU A 67 8.786 61.859 -44.566 1.00 70.32 C ATOM 971 CD2 LEU A 67 9.744 64.156 -44.804 1.00 22.21 C ATOM 0 H LEU A 67 12.542 62.175 -45.650 1.00 53.21 H new ATOM 0 HA LEU A 67 12.226 64.156 -43.586 1.00 64.45 H new ATOM 0 HB2 LEU A 67 11.268 61.284 -43.659 1.00 51.43 H new ATOM 0 HB3 LEU A 67 10.622 62.597 -42.696 1.00 51.43 H new ATOM 0 HG LEU A 67 10.496 62.385 -45.719 1.00 3.00 H new ATOM 0 HD11 LEU A 67 8.078 62.095 -45.361 1.00 70.32 H new ATOM 0 HD12 LEU A 67 9.023 60.796 -44.595 1.00 70.32 H new ATOM 0 HD13 LEU A 67 8.344 62.106 -43.601 1.00 70.32 H new ATOM 0 HD21 LEU A 67 9.021 64.355 -45.595 1.00 22.21 H new ATOM 0 HD22 LEU A 67 9.328 64.467 -43.846 1.00 22.21 H new ATOM 0 HD23 LEU A 67 10.659 64.714 -45.000 1.00 22.21 H new ATOM 983 N SER A 68 13.977 61.412 -43.086 1.00 40.32 N ATOM 984 CA SER A 68 14.976 60.769 -42.250 1.00 11.31 C ATOM 985 C SER A 68 16.327 61.480 -42.354 1.00 75.02 C ATOM 986 O SER A 68 17.328 61.024 -41.798 1.00 75.11 O ATOM 987 CB SER A 68 15.115 59.311 -42.682 1.00 0.14 C ATOM 988 OG SER A 68 13.846 58.681 -42.720 1.00 4.11 O ATOM 0 H SER A 68 13.764 60.901 -43.943 1.00 40.32 H new ATOM 0 HA SER A 68 14.655 60.822 -41.210 1.00 11.31 H new ATOM 0 HB2 SER A 68 15.582 59.260 -43.665 1.00 0.14 H new ATOM 0 HB3 SER A 68 15.770 58.781 -41.990 1.00 0.14 H new ATOM 0 HG SER A 68 13.356 58.979 -43.515 1.00 4.11 H new ATOM 994 N ASN A 69 16.346 62.600 -43.064 1.00 22.22 N ATOM 995 CA ASN A 69 17.570 63.360 -43.275 1.00 3.21 C ATOM 996 C ASN A 69 17.863 64.264 -42.085 1.00 33.23 C ATOM 997 O ASN A 69 19.017 64.593 -41.811 1.00 41.32 O ATOM 998 CB ASN A 69 17.454 64.207 -44.549 1.00 53.44 C ATOM 999 CG ASN A 69 18.720 64.984 -44.865 1.00 25.14 C ATOM 1000 OD1 ASN A 69 19.830 64.525 -44.599 1.00 41.35 O ATOM 1001 ND2 ASN A 69 18.562 66.169 -45.439 1.00 2.13 N ATOM 0 H ASN A 69 15.521 63.004 -43.506 1.00 22.22 H new ATOM 0 HA ASN A 69 18.392 62.652 -43.384 1.00 3.21 H new ATOM 0 HB2 ASN A 69 17.215 63.556 -45.390 1.00 53.44 H new ATOM 0 HB3 ASN A 69 16.624 64.905 -44.440 1.00 53.44 H new ATOM 0 HD21 ASN A 69 19.378 66.734 -45.676 1.00 2.13 H new ATOM 0 HD22 ASN A 69 17.625 66.515 -45.644 1.00 2.13 H new ATOM 1008 N ILE A 70 16.818 64.637 -41.363 1.00 71.41 N ATOM 1009 CA ILE A 70 16.962 65.571 -40.258 1.00 54.25 C ATOM 1010 C ILE A 70 17.374 64.846 -38.979 1.00 15.54 C ATOM 1011 O ILE A 70 18.341 65.236 -38.325 1.00 23.53 O ATOM 1012 CB ILE A 70 15.669 66.400 -40.020 1.00 3.10 C ATOM 1013 CG1 ILE A 70 15.479 67.460 -41.116 1.00 23.53 C ATOM 1014 CG2 ILE A 70 15.699 67.072 -38.654 1.00 12.32 C ATOM 1015 CD1 ILE A 70 15.179 66.901 -42.493 1.00 42.43 C ATOM 0 H ILE A 70 15.865 64.309 -41.521 1.00 71.41 H new ATOM 0 HA ILE A 70 17.752 66.269 -40.534 1.00 54.25 H new ATOM 0 HB ILE A 70 14.827 65.709 -40.056 1.00 3.10 H new ATOM 0 HG12 ILE A 70 14.666 68.124 -40.823 1.00 23.53 H new ATOM 0 HG13 ILE A 70 16.382 68.068 -41.174 1.00 23.53 H new ATOM 0 HG21 ILE A 70 14.784 67.646 -38.511 1.00 12.32 H new ATOM 0 HG22 ILE A 70 15.776 66.312 -37.876 1.00 12.32 H new ATOM 0 HG23 ILE A 70 16.559 67.739 -38.596 1.00 12.32 H new ATOM 0 HD11 ILE A 70 15.061 67.721 -43.201 1.00 42.43 H new ATOM 0 HD12 ILE A 70 16.001 66.261 -42.813 1.00 42.43 H new ATOM 0 HD13 ILE A 70 14.259 66.318 -42.456 1.00 42.43 H new ATOM 1129 N MET A 78 19.082 43.897 -40.365 1.00 12.00 N ATOM 1130 CA MET A 78 19.007 42.449 -40.406 1.00 2.03 C ATOM 1131 C MET A 78 19.706 41.885 -39.180 1.00 70.13 C ATOM 1132 O MET A 78 20.891 42.145 -38.957 1.00 44.34 O ATOM 1133 CB MET A 78 19.648 41.912 -41.686 1.00 63.14 C ATOM 1134 CG MET A 78 19.591 40.397 -41.811 1.00 52.15 C ATOM 1135 SD MET A 78 20.355 39.797 -43.330 1.00 73.31 S ATOM 1136 CE MET A 78 19.375 40.655 -44.560 1.00 35.54 C ATOM 0 HA MET A 78 17.962 42.139 -40.403 1.00 2.03 H new ATOM 0 HB2 MET A 78 19.148 42.357 -42.546 1.00 63.14 H new ATOM 0 HB3 MET A 78 20.690 42.231 -41.722 1.00 63.14 H new ATOM 0 HG2 MET A 78 20.092 39.946 -40.954 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.551 40.072 -41.779 1.00 52.15 H new ATOM 0 HE1 MET A 78 19.439 40.125 -45.510 1.00 35.54 H new ATOM 0 HE2 MET A 78 18.335 40.693 -44.235 1.00 35.54 H new ATOM 0 HE3 MET A 78 19.754 41.669 -44.684 1.00 35.54 H new ATOM 1146 N VAL A 79 18.971 41.130 -38.380 1.00 63.22 N ATOM 1147 CA VAL A 79 19.490 40.648 -37.113 1.00 53.31 C ATOM 1148 C VAL A 79 20.218 39.313 -37.268 1.00 34.33 C ATOM 1149 O VAL A 79 19.608 38.245 -37.353 1.00 23.05 O ATOM 1150 CB VAL A 79 18.377 40.554 -36.036 1.00 51.15 C ATOM 1151 CG1 VAL A 79 17.201 39.714 -36.512 1.00 62.34 C ATOM 1152 CG2 VAL A 79 18.933 40.012 -34.726 1.00 20.14 C ATOM 0 H VAL A 79 18.015 40.839 -38.586 1.00 63.22 H new ATOM 0 HA VAL A 79 20.220 41.382 -36.771 1.00 53.31 H new ATOM 0 HB VAL A 79 18.008 41.565 -35.861 1.00 51.15 H new ATOM 0 HG11 VAL A 79 16.443 39.673 -35.730 1.00 62.34 H new ATOM 0 HG12 VAL A 79 16.773 40.162 -37.408 1.00 62.34 H new ATOM 0 HG13 VAL A 79 17.543 38.704 -36.739 1.00 62.34 H new ATOM 0 HG21 VAL A 79 18.134 39.956 -33.987 1.00 20.14 H new ATOM 0 HG22 VAL A 79 19.346 39.017 -34.890 1.00 20.14 H new ATOM 0 HG23 VAL A 79 19.718 40.675 -34.362 1.00 20.14 H new ATOM 1162 N THR A 80 21.533 39.396 -37.352 1.00 24.24 N ATOM 1163 CA THR A 80 22.380 38.220 -37.318 1.00 43.31 C ATOM 1164 C THR A 80 23.378 38.346 -36.172 1.00 22.22 C ATOM 1165 O THR A 80 23.656 39.453 -35.708 1.00 20.53 O ATOM 1166 CB THR A 80 23.116 38.004 -38.658 1.00 4.42 C ATOM 1167 OG1 THR A 80 23.505 39.265 -39.222 1.00 23.43 O ATOM 1168 CG2 THR A 80 22.237 37.253 -39.648 1.00 23.11 C ATOM 0 H THR A 80 22.041 40.276 -37.445 1.00 24.24 H new ATOM 0 HA THR A 80 21.747 37.347 -37.156 1.00 43.31 H new ATOM 0 HB THR A 80 24.006 37.407 -38.458 1.00 4.42 H new ATOM 0 HG1 THR A 80 23.969 39.798 -38.543 1.00 23.43 H new ATOM 0 HG21 THR A 80 22.779 37.114 -40.583 1.00 23.11 H new ATOM 0 HG22 THR A 80 21.972 36.280 -39.234 1.00 23.11 H new ATOM 0 HG23 THR A 80 21.329 37.826 -39.836 1.00 23.11 H new ATOM 1176 N ASN A 81 23.895 37.227 -35.695 1.00 12.13 N ATOM 1177 CA ASN A 81 24.784 37.242 -34.536 1.00 13.33 C ATOM 1178 C ASN A 81 26.190 37.681 -34.921 1.00 53.52 C ATOM 1179 O ASN A 81 26.824 38.461 -34.210 1.00 72.31 O ATOM 1180 CB ASN A 81 24.840 35.866 -33.862 1.00 31.34 C ATOM 1181 CG ASN A 81 23.491 35.396 -33.341 1.00 23.22 C ATOM 1182 OD1 ASN A 81 23.234 34.194 -33.256 1.00 55.05 O ATOM 1183 ND2 ASN A 81 22.620 36.332 -32.982 1.00 51.02 N ATOM 0 H ASN A 81 23.719 36.301 -36.085 1.00 12.13 H new ATOM 0 HA ASN A 81 24.375 37.964 -33.829 1.00 13.33 H new ATOM 0 HB2 ASN A 81 25.221 35.135 -34.575 1.00 31.34 H new ATOM 0 HB3 ASN A 81 25.548 35.903 -33.034 1.00 31.34 H new ATOM 0 HD21 ASN A 81 21.704 36.065 -32.622 1.00 51.02 H new ATOM 0 HD22 ASN A 81 22.867 37.318 -33.066 1.00 51.02 H new ATOM 1190 N ASP A 82 26.663 37.195 -36.060 1.00 32.11 N ATOM 1191 CA ASP A 82 28.038 37.442 -36.495 1.00 24.13 C ATOM 1192 C ASP A 82 28.172 38.806 -37.153 1.00 61.51 C ATOM 1193 O ASP A 82 29.267 39.361 -37.239 1.00 75.51 O ATOM 1194 CB ASP A 82 28.495 36.363 -37.480 1.00 23.52 C ATOM 1195 CG ASP A 82 28.492 34.974 -36.880 1.00 72.21 C ATOM 1196 OD1 ASP A 82 27.433 34.314 -36.902 1.00 63.25 O ATOM 1197 OD2 ASP A 82 29.555 34.529 -36.393 1.00 30.43 O1- ATOM 0 H ASP A 82 26.115 36.625 -36.704 1.00 32.11 H new ATOM 0 HA ASP A 82 28.669 37.415 -35.607 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.843 36.377 -38.353 1.00 23.52 H new ATOM 0 HB3 ASP A 82 29.500 36.600 -37.829 1.00 23.52 H new ATOM 1202 N TYR A 83 27.062 39.341 -37.631 1.00 2.10 N ATOM 1203 CA TYR A 83 27.077 40.621 -38.324 1.00 61.22 C ATOM 1204 C TYR A 83 25.913 41.494 -37.897 1.00 25.13 C ATOM 1205 O TYR A 83 24.783 41.027 -37.777 1.00 35.42 O ATOM 1206 CB TYR A 83 27.031 40.419 -39.843 1.00 22.35 C ATOM 1207 CG TYR A 83 28.346 39.977 -40.435 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.725 38.642 -40.423 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.216 40.901 -40.996 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.935 38.242 -40.950 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.425 40.509 -41.529 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.781 39.178 -41.502 1.00 0.23 C ATOM 1213 OH TYR A 83 31.992 38.785 -42.025 1.00 35.22 O ATOM 0 H TYR A 83 26.140 38.912 -37.553 1.00 2.10 H new ATOM 0 HA TYR A 83 28.007 41.122 -38.056 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.268 39.677 -40.079 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.725 41.352 -40.316 1.00 22.35 H new ATOM 0 HD1 TYR A 83 28.062 37.905 -39.994 1.00 54.31 H new ATOM 0 HD2 TYR A 83 28.941 41.945 -41.015 1.00 61.31 H new ATOM 0 HE1 TYR A 83 30.218 37.200 -40.930 1.00 54.50 H new ATOM 0 HE2 TYR A 83 31.089 41.240 -41.965 1.00 43.02 H new ATOM 0 HH TYR A 83 32.466 39.568 -42.375 1.00 35.22 H new ATOM 1223 N ILE A 84 26.198 42.760 -37.660 1.00 71.04 N ATOM 1224 CA ILE A 84 25.155 43.733 -37.408 1.00 33.43 C ATOM 1225 C ILE A 84 25.008 44.610 -38.642 1.00 24.33 C ATOM 1226 O ILE A 84 25.639 45.663 -38.758 1.00 13.30 O ATOM 1227 CB ILE A 84 25.426 44.619 -36.164 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.728 43.762 -34.926 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.237 45.535 -35.892 1.00 63.41 C ATOM 1230 CD1 ILE A 84 27.163 43.284 -34.845 1.00 21.15 C ATOM 0 H ILE A 84 27.145 43.138 -37.637 1.00 71.04 H new ATOM 0 HA ILE A 84 24.237 43.185 -37.197 1.00 33.43 H new ATOM 0 HB ILE A 84 26.303 45.231 -36.375 1.00 35.11 H new ATOM 0 HG12 ILE A 84 25.497 44.340 -34.031 1.00 70.51 H new ATOM 0 HG13 ILE A 84 25.066 42.896 -34.926 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.444 46.150 -35.016 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.069 46.179 -36.755 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.347 44.932 -35.710 1.00 63.41 H new ATOM 0 HD11 ILE A 84 27.297 42.686 -33.944 1.00 21.15 H new ATOM 0 HD12 ILE A 84 27.395 42.678 -35.721 1.00 21.15 H new ATOM 0 HD13 ILE A 84 27.832 44.144 -34.812 1.00 21.15 H new ATOM 1242 N VAL A 85 24.222 44.133 -39.591 1.00 45.21 N ATOM 1243 CA VAL A 85 24.025 44.837 -40.844 1.00 41.00 C ATOM 1244 C VAL A 85 22.822 45.776 -40.746 1.00 52.13 C ATOM 1245 O VAL A 85 21.666 45.346 -40.717 1.00 43.50 O ATOM 1246 CB VAL A 85 23.880 43.842 -42.026 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.896 42.728 -41.695 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.466 44.567 -43.294 1.00 64.33 C ATOM 0 H VAL A 85 23.707 43.256 -39.516 1.00 45.21 H new ATOM 0 HA VAL A 85 24.908 45.445 -41.041 1.00 41.00 H new ATOM 0 HB VAL A 85 24.855 43.385 -42.196 1.00 62.43 H new ATOM 0 HG11 VAL A 85 22.817 42.048 -42.543 1.00 1.04 H new ATOM 0 HG12 VAL A 85 23.248 42.179 -40.822 1.00 1.04 H new ATOM 0 HG13 VAL A 85 21.917 43.158 -41.483 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.371 43.849 -44.109 1.00 64.33 H new ATOM 0 HG22 VAL A 85 22.509 45.063 -43.133 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.221 45.310 -43.551 1.00 64.33 H new ATOM 1258 N ASP A 86 23.115 47.067 -40.672 1.00 31.13 N ATOM 1259 CA ASP A 86 22.096 48.089 -40.473 1.00 20.21 C ATOM 1260 C ASP A 86 21.948 48.940 -41.728 1.00 24.31 C ATOM 1261 O ASP A 86 22.935 49.458 -42.260 1.00 74.51 O ATOM 1262 CB ASP A 86 22.478 48.962 -39.273 1.00 4.42 C ATOM 1263 CG ASP A 86 21.451 50.030 -38.958 1.00 33.31 C ATOM 1264 OD1 ASP A 86 21.643 51.190 -39.378 1.00 21.44 O ATOM 1265 OD2 ASP A 86 20.461 49.721 -38.263 1.00 45.22 O1- ATOM 0 H ASP A 86 24.063 47.435 -40.748 1.00 31.13 H new ATOM 0 HA ASP A 86 21.138 47.609 -40.274 1.00 20.21 H new ATOM 0 HB2 ASP A 86 22.611 48.326 -38.398 1.00 4.42 H new ATOM 0 HB3 ASP A 86 23.438 49.438 -39.470 1.00 4.42 H new ATOM 1270 N ILE A 87 20.720 49.075 -42.203 1.00 70.13 N ATOM 1271 CA ILE A 87 20.454 49.813 -43.427 1.00 11.31 C ATOM 1272 C ILE A 87 20.055 51.244 -43.106 1.00 5.45 C ATOM 1273 O ILE A 87 18.929 51.496 -42.683 1.00 31.44 O ATOM 1274 CB ILE A 87 19.326 49.160 -44.256 1.00 73.15 C ATOM 1275 CG1 ILE A 87 19.530 47.644 -44.348 1.00 41.53 C ATOM 1276 CG2 ILE A 87 19.279 49.777 -45.651 1.00 33.35 C ATOM 1277 CD1 ILE A 87 18.397 46.915 -45.040 1.00 31.30 C ATOM 0 H ILE A 87 19.890 48.682 -41.758 1.00 70.13 H new ATOM 0 HA ILE A 87 21.373 49.800 -44.013 1.00 11.31 H new ATOM 0 HB ILE A 87 18.375 49.345 -43.756 1.00 73.15 H new ATOM 0 HG12 ILE A 87 20.459 47.444 -44.883 1.00 41.53 H new ATOM 0 HG13 ILE A 87 19.648 47.241 -43.342 1.00 41.53 H new ATOM 0 HG21 ILE A 87 18.481 49.311 -46.228 1.00 33.35 H new ATOM 0 HG22 ILE A 87 19.090 50.847 -45.569 1.00 33.35 H new ATOM 0 HG23 ILE A 87 20.233 49.614 -46.153 1.00 33.35 H new ATOM 0 HD11 ILE A 87 18.614 45.847 -45.066 1.00 31.30 H new ATOM 0 HD12 ILE A 87 17.469 47.083 -44.494 1.00 31.30 H new ATOM 0 HD13 ILE A 87 18.292 47.289 -46.058 1.00 31.30 H new ATOM 1289 N ALA A 88 20.978 52.173 -43.304 1.00 34.53 N ATOM 1290 CA ALA A 88 20.720 53.573 -43.005 1.00 21.21 C ATOM 1291 C ALA A 88 20.111 54.284 -44.205 1.00 23.43 C ATOM 1292 O ALA A 88 20.415 53.960 -45.353 1.00 54.14 O ATOM 1293 CB ALA A 88 22.001 54.271 -42.570 1.00 40.44 C ATOM 0 H ALA A 88 21.911 51.983 -43.670 1.00 34.53 H new ATOM 0 HA ALA A 88 20.003 53.616 -42.185 1.00 21.21 H new ATOM 0 HB1 ALA A 88 21.789 55.317 -42.351 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.395 53.786 -41.677 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.738 54.211 -43.371 1.00 40.44 H new ATOM 1299 N ASN A 89 19.244 55.249 -43.933 1.00 52.24 N ATOM 1300 CA ASN A 89 18.612 56.031 -44.983 1.00 21.13 C ATOM 1301 C ASN A 89 18.540 57.488 -44.565 1.00 22.12 C ATOM 1302 O ASN A 89 17.808 57.842 -43.643 1.00 62.21 O ATOM 1303 CB ASN A 89 17.207 55.509 -45.277 1.00 44.43 C ATOM 1304 CG ASN A 89 16.534 56.229 -46.435 1.00 51.24 C ATOM 1305 OD1 ASN A 89 15.318 56.410 -46.441 1.00 34.21 O ATOM 1306 ND2 ASN A 89 17.313 56.631 -47.431 1.00 52.10 N ATOM 0 H ASN A 89 18.962 55.509 -42.988 1.00 52.24 H new ATOM 0 HA ASN A 89 19.211 55.940 -45.889 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.261 54.444 -45.501 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.592 55.616 -44.384 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.906 57.108 -48.236 1.00 52.10 H new ATOM 0 HD22 ASN A 89 18.318 56.464 -47.392 1.00 52.10 H new ATOM 1313 N ARG A 90 19.324 58.319 -45.225 1.00 34.23 N ATOM 1314 CA ARG A 90 19.343 59.740 -44.938 1.00 61.53 C ATOM 1315 C ARG A 90 19.618 60.514 -46.217 1.00 14.51 C ATOM 1316 O ARG A 90 20.380 60.052 -47.065 1.00 31.12 O ATOM 1317 CB ARG A 90 20.404 60.060 -43.879 1.00 1.00 C ATOM 1318 CG ARG A 90 20.416 61.517 -43.454 1.00 75.44 C ATOM 1319 CD ARG A 90 21.456 61.790 -42.382 1.00 14.21 C ATOM 1320 NE ARG A 90 21.461 63.193 -41.977 1.00 45.22 N ATOM 1321 CZ ARG A 90 22.502 63.809 -41.418 1.00 45.51 C ATOM 1322 NH1 ARG A 90 23.624 63.140 -41.174 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 22.415 65.092 -41.097 1.00 21.12 N ATOM 0 H ARG A 90 19.960 58.031 -45.969 1.00 34.23 H new ATOM 0 HA ARG A 90 18.371 60.036 -44.544 1.00 61.53 H new ATOM 0 HB2 ARG A 90 20.231 59.436 -43.002 1.00 1.00 H new ATOM 0 HB3 ARG A 90 21.387 59.796 -44.269 1.00 1.00 H new ATOM 0 HG2 ARG A 90 20.616 62.146 -44.322 1.00 75.44 H new ATOM 0 HG3 ARG A 90 19.430 61.794 -43.081 1.00 75.44 H new ATOM 0 HD2 ARG A 90 21.257 61.162 -41.514 1.00 14.21 H new ATOM 0 HD3 ARG A 90 22.443 61.516 -42.755 1.00 14.21 H new ATOM 0 HE ARG A 90 20.612 63.737 -42.132 1.00 45.22 H new ATOM 0 HH11 ARG A 90 23.691 62.151 -41.415 1.00 34.45 H new ATOM 0 HH12 ARG A 90 24.418 63.615 -40.746 1.00 34.45 H new ATOM 0 HH21 ARG A 90 21.553 65.606 -41.278 1.00 21.12 H new ATOM 0 HH22 ARG A 90 23.210 65.566 -40.669 1.00 21.12 H new ATOM 1337 N ASP A 91 18.944 61.656 -46.371 1.00 14.33 N ATOM 1338 CA ASP A 91 19.139 62.551 -47.520 1.00 71.02 C ATOM 1339 C ASP A 91 18.548 61.930 -48.788 1.00 43.52 C ATOM 1340 O ASP A 91 18.627 62.496 -49.876 1.00 61.51 O ATOM 1341 CB ASP A 91 20.632 62.861 -47.710 1.00 34.34 C ATOM 1342 CG ASP A 91 20.879 64.046 -48.621 1.00 2.00 C ATOM 1343 OD1 ASP A 91 20.897 65.189 -48.119 1.00 21.24 O ATOM 1344 OD2 ASP A 91 21.068 63.847 -49.839 1.00 32.31 O1- ATOM 0 H ASP A 91 18.247 61.989 -45.704 1.00 14.33 H new ATOM 0 HA ASP A 91 18.617 63.488 -47.324 1.00 71.02 H new ATOM 0 HB2 ASP A 91 21.083 63.057 -46.737 1.00 34.34 H new ATOM 0 HB3 ASP A 91 21.130 61.983 -48.122 1.00 34.34 H new ATOM 1349 N GLY A 92 17.931 60.768 -48.629 1.00 75.32 N ATOM 1350 CA GLY A 92 17.405 60.038 -49.765 1.00 62.34 C ATOM 1351 C GLY A 92 18.372 58.969 -50.223 1.00 52.21 C ATOM 1352 O GLY A 92 18.044 58.134 -51.064 1.00 23.30 O ATOM 0 H GLY A 92 17.784 60.315 -47.727 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.453 59.580 -49.497 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.207 60.729 -50.585 1.00 62.34 H new ATOM 1356 N GLN A 93 19.567 58.998 -49.652 1.00 55.42 N ATOM 1357 CA GLN A 93 20.600 58.032 -49.973 1.00 43.03 C ATOM 1358 C GLN A 93 20.502 56.824 -49.048 1.00 53.23 C ATOM 1359 O GLN A 93 20.300 56.967 -47.838 1.00 62.41 O ATOM 1360 CB GLN A 93 21.986 58.675 -49.838 1.00 32.14 C ATOM 1361 CG GLN A 93 22.238 59.831 -50.802 1.00 62.32 C ATOM 1362 CD GLN A 93 22.816 59.390 -52.140 1.00 5.43 C ATOM 1363 OE1 GLN A 93 23.544 60.140 -52.789 1.00 25.23 O ATOM 1364 NE2 GLN A 93 22.510 58.172 -52.561 1.00 33.20 N ATOM 0 H GLN A 93 19.845 59.690 -48.956 1.00 55.42 H new ATOM 0 HA GLN A 93 20.457 57.703 -51.002 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.109 59.036 -48.817 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.746 57.910 -49.999 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.301 60.359 -50.976 1.00 62.32 H new ATOM 0 HG3 GLN A 93 22.922 60.540 -50.336 1.00 62.32 H new ATOM 0 HE21 GLN A 93 21.903 57.575 -51.998 1.00 33.20 H new ATOM 0 HE22 GLN A 93 22.881 57.831 -53.448 1.00 33.20 H new ATOM 1373 N LEU A 94 20.610 55.637 -49.622 1.00 22.14 N ATOM 1374 CA LEU A 94 20.664 54.418 -48.836 1.00 50.31 C ATOM 1375 C LEU A 94 22.113 54.069 -48.545 1.00 43.43 C ATOM 1376 O LEU A 94 22.961 54.090 -49.441 1.00 52.24 O ATOM 1377 CB LEU A 94 19.970 53.253 -49.555 1.00 41.23 C ATOM 1378 CG LEU A 94 18.441 53.198 -49.431 1.00 41.02 C ATOM 1379 CD1 LEU A 94 18.028 53.076 -47.973 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.789 54.415 -50.070 1.00 42.11 C ATOM 0 H LEU A 94 20.662 55.493 -50.630 1.00 22.14 H new ATOM 0 HA LEU A 94 20.132 54.588 -47.900 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.227 53.301 -50.613 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.379 52.319 -49.170 1.00 41.23 H new ATOM 0 HG LEU A 94 18.095 52.314 -49.967 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.941 53.038 -47.905 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.450 52.164 -47.550 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.397 53.938 -47.417 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.706 54.345 -49.965 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.144 55.319 -49.576 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.049 54.454 -51.128 1.00 42.11 H new ATOM 1392 N GLN A 95 22.397 53.780 -47.291 1.00 22.34 N ATOM 1393 CA GLN A 95 23.745 53.457 -46.867 1.00 52.10 C ATOM 1394 C GLN A 95 23.742 52.218 -45.979 1.00 55.53 C ATOM 1395 O GLN A 95 23.287 52.253 -44.838 1.00 20.22 O ATOM 1396 CB GLN A 95 24.366 54.650 -46.141 1.00 54.30 C ATOM 1397 CG GLN A 95 25.670 54.331 -45.431 1.00 4.25 C ATOM 1398 CD GLN A 95 26.316 55.554 -44.811 1.00 5.40 C ATOM 1399 OE1 GLN A 95 26.932 55.471 -43.750 1.00 14.41 O ATOM 1400 NE2 GLN A 95 26.219 56.685 -45.489 1.00 5.31 N ATOM 0 H GLN A 95 21.705 53.762 -46.541 1.00 22.34 H new ATOM 0 HA GLN A 95 24.350 53.238 -47.747 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.543 55.449 -46.861 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.651 55.031 -45.412 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.483 53.591 -44.653 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.364 53.880 -46.140 1.00 4.25 H new ATOM 0 HE21 GLN A 95 25.698 56.711 -46.366 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.665 57.531 -45.135 1.00 5.31 H new ATOM 1409 N LEU A 96 24.237 51.124 -46.521 1.00 75.11 N ATOM 1410 CA LEU A 96 24.281 49.867 -45.797 1.00 53.33 C ATOM 1411 C LEU A 96 25.577 49.758 -45.007 1.00 12.32 C ATOM 1412 O LEU A 96 26.653 49.641 -45.585 1.00 51.50 O ATOM 1413 CB LEU A 96 24.164 48.699 -46.777 1.00 11.23 C ATOM 1414 CG LEU A 96 24.063 47.320 -46.131 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.792 47.216 -45.308 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.109 46.229 -47.192 1.00 11.35 C ATOM 0 H LEU A 96 24.617 51.079 -47.466 1.00 75.11 H new ATOM 0 HA LEU A 96 23.444 49.833 -45.100 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.285 48.856 -47.402 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.031 48.711 -47.438 1.00 11.23 H new ATOM 0 HG LEU A 96 24.916 47.184 -45.466 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.733 46.227 -44.853 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.802 47.975 -44.526 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.927 47.371 -45.953 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.036 45.253 -46.713 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.276 46.358 -47.883 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.049 46.294 -47.741 1.00 11.35 H new ATOM 1428 N ASN A 97 25.481 49.813 -43.688 1.00 24.34 N ATOM 1429 CA ASN A 97 26.658 49.678 -42.843 1.00 24.31 C ATOM 1430 C ASN A 97 26.699 48.307 -42.200 1.00 43.41 C ATOM 1431 O ASN A 97 25.911 48.006 -41.300 1.00 33.42 O ATOM 1432 CB ASN A 97 26.710 50.757 -41.757 1.00 32.34 C ATOM 1433 CG ASN A 97 27.160 52.105 -42.281 1.00 4.11 C ATOM 1434 OD1 ASN A 97 28.358 52.365 -42.407 1.00 11.22 O ATOM 1435 ND2 ASN A 97 26.210 52.984 -42.556 1.00 2.51 N ATOM 0 H ASN A 97 24.606 49.949 -43.181 1.00 24.34 H new ATOM 0 HA ASN A 97 27.529 49.804 -43.487 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.722 50.860 -41.307 1.00 32.34 H new ATOM 0 HB3 ASN A 97 27.388 50.436 -40.966 1.00 32.34 H new ATOM 0 HD21 ASN A 97 26.458 53.917 -42.886 1.00 2.51 H new ATOM 0 HD22 ASN A 97 25.229 52.729 -42.438 1.00 2.51 H new ATOM 1442 N VAL A 98 27.605 47.474 -42.673 1.00 45.14 N ATOM 1443 CA VAL A 98 27.808 46.163 -42.091 1.00 72.02 C ATOM 1444 C VAL A 98 28.794 46.249 -40.941 1.00 15.31 C ATOM 1445 O VAL A 98 29.990 46.457 -41.142 1.00 42.35 O ATOM 1446 CB VAL A 98 28.309 45.139 -43.130 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.787 43.865 -42.453 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.206 44.819 -44.114 1.00 24.02 C ATOM 0 H VAL A 98 28.215 47.684 -43.463 1.00 45.14 H new ATOM 0 HA VAL A 98 26.842 45.818 -41.723 1.00 72.02 H new ATOM 0 HB VAL A 98 29.152 45.579 -43.664 1.00 44.14 H new ATOM 0 HG11 VAL A 98 29.135 43.160 -43.208 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.605 44.100 -41.772 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.965 43.420 -41.893 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.568 44.095 -44.844 1.00 24.02 H new ATOM 0 HG22 VAL A 98 26.353 44.400 -43.581 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.901 45.731 -44.628 1.00 24.02 H new ATOM 1458 N THR A 99 28.277 46.123 -39.735 1.00 13.53 N ATOM 1459 CA THR A 99 29.107 46.126 -38.554 1.00 63.52 C ATOM 1460 C THR A 99 29.538 44.701 -38.231 1.00 34.14 C ATOM 1461 O THR A 99 28.747 43.891 -37.743 1.00 52.04 O ATOM 1462 CB THR A 99 28.357 46.737 -37.362 1.00 15.12 C ATOM 1463 OG1 THR A 99 27.827 48.021 -37.729 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.269 46.883 -36.150 1.00 64.32 C ATOM 0 H THR A 99 27.280 46.017 -39.550 1.00 13.53 H new ATOM 0 HA THR A 99 29.990 46.736 -38.747 1.00 63.52 H new ATOM 0 HB THR A 99 27.542 46.065 -37.093 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.348 48.407 -36.966 1.00 32.14 H new ATOM 0 HG21 THR A 99 28.708 47.318 -35.323 1.00 64.32 H new ATOM 0 HG22 THR A 99 29.645 45.903 -35.857 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.107 47.533 -36.402 1.00 64.32 H new ATOM 1472 N ASP A 100 30.787 44.404 -38.542 1.00 61.11 N ATOM 1473 CA ASP A 100 31.345 43.072 -38.351 1.00 23.41 C ATOM 1474 C ASP A 100 31.539 42.773 -36.873 1.00 63.40 C ATOM 1475 O ASP A 100 32.164 43.547 -36.151 1.00 62.23 O ATOM 1476 CB ASP A 100 32.677 42.979 -39.087 1.00 14.41 C ATOM 1477 CG ASP A 100 33.380 41.649 -38.919 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.488 41.641 -38.356 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.840 40.617 -39.352 1.00 11.31 O1- ATOM 0 H ASP A 100 31.445 45.077 -38.934 1.00 61.11 H new ATOM 0 HA ASP A 100 30.651 42.334 -38.753 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.507 43.157 -40.149 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.333 43.773 -38.731 1.00 14.41 H new ATOM 1484 N ARG A 101 31.004 41.650 -36.430 1.00 1.22 N ATOM 1485 CA ARG A 101 31.101 41.261 -35.031 1.00 70.42 C ATOM 1486 C ARG A 101 32.225 40.244 -34.844 1.00 41.44 C ATOM 1487 O ARG A 101 32.470 39.753 -33.743 1.00 3.54 O ATOM 1488 CB ARG A 101 29.762 40.677 -34.562 1.00 70.04 C ATOM 1489 CG ARG A 101 29.658 40.421 -33.063 1.00 12.41 C ATOM 1490 CD ARG A 101 29.576 41.710 -32.257 1.00 13.24 C ATOM 1491 NE ARG A 101 30.853 42.420 -32.202 1.00 14.53 N ATOM 1492 CZ ARG A 101 30.968 43.745 -32.190 1.00 32.32 C ATOM 1493 NH1 ARG A 101 29.880 44.508 -32.235 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 32.174 44.303 -32.121 1.00 52.25 N ATOM 0 H ARG A 101 30.497 40.989 -37.018 1.00 1.22 H new ATOM 0 HA ARG A 101 31.331 42.140 -34.429 1.00 70.42 H new ATOM 0 HB2 ARG A 101 28.964 41.359 -34.855 1.00 70.04 H new ATOM 0 HB3 ARG A 101 29.588 39.738 -35.088 1.00 70.04 H new ATOM 0 HG2 ARG A 101 28.776 39.813 -32.862 1.00 12.41 H new ATOM 0 HG3 ARG A 101 30.523 39.845 -32.735 1.00 12.41 H new ATOM 0 HD2 ARG A 101 28.821 42.362 -32.696 1.00 13.24 H new ATOM 0 HD3 ARG A 101 29.248 41.480 -31.243 1.00 13.24 H new ATOM 0 HE ARG A 101 31.708 41.865 -32.171 1.00 14.53 H new ATOM 0 HH11 ARG A 101 28.956 44.077 -32.279 1.00 20.33 H new ATOM 0 HH12 ARG A 101 29.969 45.524 -32.226 1.00 20.33 H new ATOM 0 HH21 ARG A 101 33.006 43.715 -32.078 1.00 52.25 H new ATOM 0 HH22 ARG A 101 32.266 45.319 -32.112 1.00 52.25 H new ATOM 1508 N LYS A 102 32.917 39.934 -35.932 1.00 25.22 N ATOM 1509 CA LYS A 102 33.986 38.949 -35.889 1.00 51.24 C ATOM 1510 C LYS A 102 35.313 39.619 -35.557 1.00 24.03 C ATOM 1511 O LYS A 102 35.975 39.259 -34.585 1.00 61.52 O ATOM 1512 CB LYS A 102 34.091 38.206 -37.226 1.00 63.24 C ATOM 1513 CG LYS A 102 32.750 37.745 -37.785 1.00 64.00 C ATOM 1514 CD LYS A 102 31.920 37.013 -36.745 1.00 42.35 C ATOM 1515 CE LYS A 102 32.625 35.775 -36.221 1.00 32.33 C ATOM 1516 NZ LYS A 102 31.854 35.128 -35.134 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.758 40.349 -36.850 1.00 25.22 H new ATOM 0 HA LYS A 102 33.752 38.226 -35.108 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.573 38.857 -37.955 1.00 63.24 H new ATOM 0 HB3 LYS A 102 34.738 37.338 -37.098 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.194 38.608 -38.150 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.920 37.090 -38.640 1.00 64.00 H new ATOM 0 HD2 LYS A 102 31.704 37.686 -35.915 1.00 42.35 H new ATOM 0 HD3 LYS A 102 30.963 36.727 -37.181 1.00 42.35 H new ATOM 0 HE2 LYS A 102 32.771 35.066 -37.036 1.00 32.33 H new ATOM 0 HE3 LYS A 102 33.615 36.047 -35.854 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 32.473 34.477 -34.610 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 31.489 35.856 -34.486 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 31.058 34.597 -35.542 1.00 73.14 H new ATOM 1530 N THR A 103 35.691 40.589 -36.371 1.00 32.11 N ATOM 1531 CA THR A 103 36.915 41.346 -36.165 1.00 65.25 C ATOM 1532 C THR A 103 36.589 42.807 -35.867 1.00 51.12 C ATOM 1533 O THR A 103 37.302 43.487 -35.126 1.00 72.12 O ATOM 1534 CB THR A 103 37.832 41.265 -37.405 1.00 3.51 C ATOM 1535 OG1 THR A 103 37.139 41.734 -38.573 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.293 39.836 -37.637 1.00 15.44 C ATOM 0 H THR A 103 35.159 40.875 -37.193 1.00 32.11 H new ATOM 0 HA THR A 103 37.439 40.910 -35.314 1.00 65.25 H new ATOM 0 HB THR A 103 38.701 41.897 -37.222 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.199 41.899 -38.351 1.00 71.14 H new ATOM 0 HG21 THR A 103 38.938 39.800 -38.515 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.846 39.486 -36.766 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.426 39.195 -37.797 1.00 15.44 H new ATOM 1544 N GLY A 104 35.493 43.274 -36.445 1.00 65.24 N ATOM 1545 CA GLY A 104 35.048 44.628 -36.221 1.00 42.41 C ATOM 1546 C GLY A 104 35.210 45.496 -37.445 1.00 24.42 C ATOM 1547 O GLY A 104 35.433 46.706 -37.339 1.00 13.23 O ATOM 0 H GLY A 104 34.900 42.730 -37.072 1.00 65.24 H new ATOM 0 HA2 GLY A 104 34.000 44.618 -35.922 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.612 45.061 -35.395 1.00 42.41 H new ATOM 1551 N GLN A 105 35.116 44.872 -38.610 1.00 51.35 N ATOM 1552 CA GLN A 105 35.079 45.599 -39.870 1.00 72.04 C ATOM 1553 C GLN A 105 33.823 46.464 -39.942 1.00 12.40 C ATOM 1554 O GLN A 105 32.854 46.244 -39.209 1.00 64.30 O ATOM 1555 CB GLN A 105 35.088 44.625 -41.056 1.00 71.44 C ATOM 1556 CG GLN A 105 36.316 43.736 -41.121 1.00 11.23 C ATOM 1557 CD GLN A 105 37.595 44.519 -41.335 1.00 44.43 C ATOM 1558 OE1 GLN A 105 37.594 45.585 -41.953 1.00 42.45 O ATOM 1559 NE2 GLN A 105 38.695 44.000 -40.819 1.00 23.32 N ATOM 0 H GLN A 105 35.064 43.858 -38.709 1.00 51.35 H new ATOM 0 HA GLN A 105 35.964 46.234 -39.921 1.00 72.04 H new ATOM 0 HB2 GLN A 105 34.200 43.995 -41.001 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.017 45.196 -41.982 1.00 71.44 H new ATOM 0 HG2 GLN A 105 36.395 43.165 -40.196 1.00 11.23 H new ATOM 0 HG3 GLN A 105 36.196 43.016 -41.931 1.00 11.23 H new ATOM 0 HE21 GLN A 105 38.653 43.115 -40.314 1.00 23.32 H new ATOM 0 HE22 GLN A 105 39.586 44.485 -40.925 1.00 23.32 H new ATOM 1568 N THR A 106 33.841 47.450 -40.811 1.00 25.35 N ATOM 1569 CA THR A 106 32.674 48.270 -41.048 1.00 43.25 C ATOM 1570 C THR A 106 32.570 48.576 -42.533 1.00 44.11 C ATOM 1571 O THR A 106 33.110 49.571 -43.021 1.00 33.22 O ATOM 1572 CB THR A 106 32.716 49.576 -40.229 1.00 61.32 C ATOM 1573 OG1 THR A 106 32.959 49.273 -38.845 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.407 50.339 -40.353 1.00 5.13 C ATOM 0 H THR A 106 34.656 47.704 -41.368 1.00 25.35 H new ATOM 0 HA THR A 106 31.793 47.717 -40.723 1.00 43.25 H new ATOM 0 HB THR A 106 33.521 50.198 -40.621 1.00 61.32 H new ATOM 0 HG1 THR A 106 32.987 50.105 -38.328 1.00 1.35 H new ATOM 0 HG21 THR A 106 31.463 51.256 -39.766 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.229 50.588 -41.399 1.00 5.13 H new ATOM 0 HG23 THR A 106 30.589 49.721 -39.983 1.00 5.13 H new ATOM 1582 N SER A 107 31.916 47.679 -43.253 1.00 30.10 N ATOM 1583 CA SER A 107 31.765 47.812 -44.686 1.00 71.15 C ATOM 1584 C SER A 107 30.561 48.689 -44.992 1.00 42.21 C ATOM 1585 O SER A 107 29.425 48.337 -44.668 1.00 53.14 O ATOM 1586 CB SER A 107 31.609 46.429 -45.329 1.00 62.32 C ATOM 1587 OG SER A 107 31.654 46.502 -46.745 1.00 35.01 O ATOM 0 H SER A 107 31.479 46.845 -42.861 1.00 30.10 H new ATOM 0 HA SER A 107 32.655 48.283 -45.103 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.401 45.770 -44.973 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.663 45.987 -45.017 1.00 62.32 H new ATOM 0 HG SER A 107 31.553 45.603 -47.122 1.00 35.01 H new ATOM 1593 N THR A 108 30.818 49.842 -45.580 1.00 61.34 N ATOM 1594 CA THR A 108 29.764 50.782 -45.902 1.00 45.01 C ATOM 1595 C THR A 108 29.420 50.719 -47.385 1.00 51.14 C ATOM 1596 O THR A 108 30.246 51.033 -48.243 1.00 24.12 O ATOM 1597 CB THR A 108 30.171 52.218 -45.524 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.668 52.239 -44.182 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.987 53.164 -45.638 1.00 12.31 C ATOM 0 H THR A 108 31.753 50.150 -45.845 1.00 61.34 H new ATOM 0 HA THR A 108 28.884 50.504 -45.322 1.00 45.01 H new ATOM 0 HB THR A 108 30.948 52.548 -46.213 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.916 52.283 -43.555 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.299 54.172 -45.366 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.618 53.163 -46.664 1.00 12.31 H new ATOM 0 HG23 THR A 108 28.194 52.836 -44.966 1.00 12.31 H new ATOM 1607 N ILE A 109 28.203 50.289 -47.682 1.00 13.34 N ATOM 1608 CA ILE A 109 27.723 50.234 -49.052 1.00 55.11 C ATOM 1609 C ILE A 109 26.722 51.361 -49.294 1.00 14.15 C ATOM 1610 O ILE A 109 25.545 51.253 -48.946 1.00 1.14 O ATOM 1611 CB ILE A 109 27.056 48.872 -49.397 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.018 47.698 -49.175 1.00 73.01 C ATOM 1613 CG2 ILE A 109 26.573 48.867 -50.840 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.134 47.253 -47.729 1.00 12.41 C ATOM 0 H ILE A 109 27.527 49.972 -46.987 1.00 13.34 H new ATOM 0 HA ILE A 109 28.592 50.349 -49.700 1.00 55.11 H new ATOM 0 HB ILE A 109 26.205 48.749 -48.727 1.00 61.20 H new ATOM 0 HG12 ILE A 109 27.687 46.853 -49.778 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.007 47.980 -49.537 1.00 73.01 H new ATOM 0 HG21 ILE A 109 26.109 47.907 -51.065 1.00 4.42 H new ATOM 0 HG22 ILE A 109 25.844 49.665 -50.982 1.00 4.42 H new ATOM 0 HG23 ILE A 109 27.420 49.026 -51.508 1.00 4.42 H new ATOM 0 HD11 ILE A 109 28.833 46.420 -47.660 1.00 12.41 H new ATOM 0 HD12 ILE A 109 28.496 48.082 -47.121 1.00 12.41 H new ATOM 0 HD13 ILE A 109 27.156 46.937 -47.366 1.00 12.41 H new ATOM 1626 N GLN A 110 27.203 52.459 -49.852 1.00 42.43 N ATOM 1627 CA GLN A 110 26.349 53.590 -50.169 1.00 3.53 C ATOM 1628 C GLN A 110 25.867 53.487 -51.609 1.00 10.22 C ATOM 1629 O GLN A 110 26.606 53.035 -52.485 1.00 61.10 O ATOM 1630 CB GLN A 110 27.108 54.904 -49.967 1.00 51.25 C ATOM 1631 CG GLN A 110 27.660 55.074 -48.563 1.00 2.41 C ATOM 1632 CD GLN A 110 28.381 56.392 -48.370 1.00 4.14 C ATOM 1633 OE1 GLN A 110 27.774 57.393 -47.990 1.00 23.33 O ATOM 1634 NE2 GLN A 110 29.680 56.400 -48.623 1.00 32.10 N ATOM 0 H GLN A 110 28.185 52.591 -50.096 1.00 42.43 H new ATOM 0 HA GLN A 110 25.488 53.577 -49.500 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.930 54.953 -50.681 1.00 51.25 H new ATOM 0 HB3 GLN A 110 26.442 55.737 -50.191 1.00 51.25 H new ATOM 0 HG2 GLN A 110 26.842 55.004 -47.845 1.00 2.41 H new ATOM 0 HG3 GLN A 110 28.346 54.255 -48.346 1.00 2.41 H new ATOM 0 HE21 GLN A 110 30.144 55.547 -48.936 1.00 32.10 H new ATOM 0 HE22 GLN A 110 30.217 57.259 -48.505 1.00 32.10 H new ATOM 1643 N VAL A 111 24.624 53.879 -51.847 1.00 22.34 N ATOM 1644 CA VAL A 111 24.079 53.895 -53.198 1.00 74.24 C ATOM 1645 C VAL A 111 24.766 54.973 -54.030 1.00 21.00 C ATOM 1646 O VAL A 111 24.782 56.146 -53.648 1.00 75.11 O ATOM 1647 CB VAL A 111 22.553 54.129 -53.194 1.00 73.33 C ATOM 1648 CG1 VAL A 111 22.009 54.253 -54.614 1.00 13.23 C ATOM 1649 CG2 VAL A 111 21.851 53.001 -52.452 1.00 44.35 C ATOM 0 H VAL A 111 23.974 54.190 -51.125 1.00 22.34 H new ATOM 0 HA VAL A 111 24.268 52.917 -53.641 1.00 74.24 H new ATOM 0 HB VAL A 111 22.356 55.069 -52.678 1.00 73.33 H new ATOM 0 HG11 VAL A 111 20.932 54.417 -54.578 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.488 55.094 -55.115 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.218 53.336 -55.165 1.00 13.23 H new ATOM 0 HG21 VAL A 111 20.775 53.177 -52.456 1.00 44.35 H new ATOM 0 HG22 VAL A 111 22.065 52.053 -52.945 1.00 44.35 H new ATOM 0 HG23 VAL A 111 22.209 52.964 -51.423 1.00 44.35 H new