USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=17 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 95 GLN :FLIP amide:sc= 0.599 F(o=-1.5!,f=-0.18) USER MOD Set 1.2: A 97 ASN :FLIP amide:sc= -1.1! F(o=-1.5,f=-0.18!) USER MOD Set 1.3: A 108 THR OG1 : rot -94:sc= 0.32 USER MOD Set 2.1: A 56 GLN : amide:sc= -1.02 K(o=-0.96,f=-2.4!) USER MOD Set 2.2: A 59 GLN : amide:sc= 0.0591 K(o=-0.96,f=-2.2) USER MOD Single : A 47 THR OG1 : rot 47:sc= 0.555 USER MOD Single : A 49 SER OG : rot 59:sc= 0.19 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.219 F(o=-1.3,f=-0.22) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.5!) USER MOD Single : A 78 MET CE :methyl 163:sc= -0.479 (180deg=-0.935) USER MOD Single : A 80 THR OG1 : rot 76:sc= 0.947 USER MOD Single : A 81 ASN : amide:sc= -0.174 K(o=-0.17,f=-2.5!) USER MOD Single : A 83 TYR OH : rot -128:sc= 1.18 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.0174 F(o=-1,f=-0.017) USER MOD Single : A 93 GLN : amide:sc= 0.886 K(o=0.89,f=-0.14) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 34.373 51.770 -23.478 1.00 65.21 N ATOM 660 CA GLU A 46 33.300 52.239 -22.613 1.00 41.54 C ATOM 661 C GLU A 46 33.860 52.983 -21.405 1.00 5.12 C ATOM 662 O GLU A 46 33.137 53.275 -20.455 1.00 43.23 O ATOM 663 CB GLU A 46 32.451 51.054 -22.162 1.00 55.55 C ATOM 664 CG GLU A 46 31.905 50.238 -23.322 1.00 14.53 C ATOM 665 CD GLU A 46 31.194 48.981 -22.872 1.00 0.14 C ATOM 666 OE1 GLU A 46 29.946 48.966 -22.878 1.00 65.32 O ATOM 667 OE2 GLU A 46 31.884 47.999 -22.522 1.00 5.55 O1- ATOM 0 HA GLU A 46 32.676 52.934 -23.175 1.00 41.54 H new ATOM 0 HB2 GLU A 46 33.051 50.408 -21.521 1.00 55.55 H new ATOM 0 HB3 GLU A 46 31.620 51.419 -21.559 1.00 55.55 H new ATOM 0 HG2 GLU A 46 31.215 50.853 -23.900 1.00 14.53 H new ATOM 0 HG3 GLU A 46 32.725 49.968 -23.988 1.00 14.53 H new ATOM 674 N THR A 47 35.147 53.296 -21.448 1.00 53.34 N ATOM 675 CA THR A 47 35.790 54.015 -20.359 1.00 11.21 C ATOM 676 C THR A 47 36.473 55.284 -20.870 1.00 2.33 C ATOM 677 O THR A 47 37.656 55.265 -21.224 1.00 31.14 O ATOM 678 CB THR A 47 36.818 53.138 -19.612 1.00 14.13 C ATOM 679 OG1 THR A 47 37.783 52.613 -20.530 1.00 60.32 O ATOM 680 CG2 THR A 47 36.132 51.995 -18.880 1.00 31.14 C ATOM 0 H THR A 47 35.766 53.063 -22.225 1.00 53.34 H new ATOM 0 HA THR A 47 35.003 54.288 -19.656 1.00 11.21 H new ATOM 0 HB THR A 47 37.323 53.766 -18.878 1.00 14.13 H new ATOM 0 HG1 THR A 47 38.101 53.331 -21.116 1.00 60.32 H new ATOM 0 HG21 THR A 47 36.879 51.394 -18.363 1.00 31.14 H new ATOM 0 HG22 THR A 47 35.426 52.399 -18.155 1.00 31.14 H new ATOM 0 HG23 THR A 47 35.598 51.372 -19.597 1.00 31.14 H new ATOM 688 N PRO A 48 35.725 56.397 -20.954 1.00 63.35 N ATOM 689 CA PRO A 48 36.243 57.664 -21.476 1.00 21.13 C ATOM 690 C PRO A 48 37.463 58.163 -20.707 1.00 23.22 C ATOM 691 O PRO A 48 37.338 58.730 -19.621 1.00 30.10 O ATOM 692 CB PRO A 48 35.071 58.637 -21.312 1.00 72.10 C ATOM 693 CG PRO A 48 33.864 57.773 -21.215 1.00 2.42 C ATOM 694 CD PRO A 48 34.316 56.509 -20.540 1.00 3.12 C ATOM 0 HA PRO A 48 36.583 57.560 -22.506 1.00 21.13 H new ATOM 0 HB2 PRO A 48 35.190 59.251 -20.419 1.00 72.10 H new ATOM 0 HB3 PRO A 48 35.002 59.318 -22.160 1.00 72.10 H new ATOM 0 HG2 PRO A 48 33.078 58.263 -20.641 1.00 2.42 H new ATOM 0 HG3 PRO A 48 33.453 57.563 -22.203 1.00 2.42 H new ATOM 0 HD2 PRO A 48 34.218 56.573 -19.456 1.00 3.12 H new ATOM 0 HD3 PRO A 48 33.731 55.648 -20.863 1.00 3.12 H new ATOM 702 N SER A 49 38.639 57.906 -21.267 1.00 1.52 N ATOM 703 CA SER A 49 39.886 58.385 -20.690 1.00 71.45 C ATOM 704 C SER A 49 40.422 59.570 -21.491 1.00 5.40 C ATOM 705 O SER A 49 40.839 60.579 -20.929 1.00 55.33 O ATOM 706 CB SER A 49 40.920 57.259 -20.660 1.00 4.01 C ATOM 707 OG SER A 49 40.379 56.088 -20.073 1.00 52.25 O ATOM 0 H SER A 49 38.754 57.366 -22.124 1.00 1.52 H new ATOM 0 HA SER A 49 39.693 58.713 -19.669 1.00 71.45 H new ATOM 0 HB2 SER A 49 41.254 57.040 -21.674 1.00 4.01 H new ATOM 0 HB3 SER A 49 41.797 57.580 -20.098 1.00 4.01 H new ATOM 0 HG SER A 49 39.598 55.795 -20.587 1.00 52.25 H new ATOM 713 N ALA A 50 40.434 59.428 -22.811 1.00 4.34 N ATOM 714 CA ALA A 50 40.819 60.524 -23.690 1.00 71.23 C ATOM 715 C ALA A 50 39.800 60.687 -24.808 1.00 52.43 C ATOM 716 O ALA A 50 39.889 61.596 -25.629 1.00 63.35 O ATOM 717 CB ALA A 50 42.204 60.279 -24.262 1.00 52.42 C ATOM 0 H ALA A 50 40.182 58.566 -23.295 1.00 4.34 H new ATOM 0 HA ALA A 50 40.844 61.446 -23.109 1.00 71.23 H new ATOM 0 HB1 ALA A 50 42.479 61.106 -24.917 1.00 52.42 H new ATOM 0 HB2 ALA A 50 42.926 60.205 -23.449 1.00 52.42 H new ATOM 0 HB3 ALA A 50 42.203 59.350 -24.832 1.00 52.42 H new ATOM 723 N LEU A 51 38.812 59.803 -24.818 1.00 14.24 N ATOM 724 CA LEU A 51 37.782 59.823 -25.846 1.00 65.24 C ATOM 725 C LEU A 51 36.561 60.592 -25.359 1.00 54.11 C ATOM 726 O LEU A 51 35.578 60.732 -26.082 1.00 73.42 O ATOM 727 CB LEU A 51 37.382 58.400 -26.268 1.00 34.13 C ATOM 728 CG LEU A 51 36.907 57.472 -25.145 1.00 14.14 C ATOM 729 CD1 LEU A 51 35.853 56.506 -25.664 1.00 42.24 C ATOM 730 CD2 LEU A 51 38.078 56.689 -24.571 1.00 32.32 C ATOM 0 H LEU A 51 38.702 59.063 -24.125 1.00 14.24 H new ATOM 0 HA LEU A 51 38.194 60.328 -26.720 1.00 65.24 H new ATOM 0 HB2 LEU A 51 36.588 58.473 -27.011 1.00 34.13 H new ATOM 0 HB3 LEU A 51 38.237 57.935 -26.759 1.00 34.13 H new ATOM 0 HG LEU A 51 36.470 58.087 -24.358 1.00 14.14 H new ATOM 0 HD11 LEU A 51 35.526 55.854 -24.854 1.00 42.24 H new ATOM 0 HD12 LEU A 51 35.000 57.068 -26.044 1.00 42.24 H new ATOM 0 HD13 LEU A 51 36.276 55.903 -26.467 1.00 42.24 H new ATOM 0 HD21 LEU A 51 37.723 56.035 -23.775 1.00 32.32 H new ATOM 0 HD22 LEU A 51 38.534 56.088 -25.358 1.00 32.32 H new ATOM 0 HD23 LEU A 51 38.817 57.382 -24.169 1.00 32.32 H new ATOM 742 N ASP A 52 36.641 61.103 -24.137 1.00 2.23 N ATOM 743 CA ASP A 52 35.563 61.897 -23.555 1.00 12.25 C ATOM 744 C ASP A 52 35.441 63.224 -24.288 1.00 34.31 C ATOM 745 O ASP A 52 34.338 63.684 -24.586 1.00 33.15 O ATOM 746 CB ASP A 52 35.813 62.128 -22.060 1.00 5.20 C ATOM 747 CG ASP A 52 37.192 62.700 -21.773 1.00 62.52 C ATOM 748 OD1 ASP A 52 37.286 63.806 -21.206 1.00 12.41 O ATOM 749 OD2 ASP A 52 38.189 62.037 -22.131 1.00 63.02 O1- ATOM 0 H ASP A 52 37.447 60.981 -23.524 1.00 2.23 H new ATOM 0 HA ASP A 52 34.626 61.350 -23.663 1.00 12.25 H new ATOM 0 HB2 ASP A 52 35.055 62.808 -21.671 1.00 5.20 H new ATOM 0 HB3 ASP A 52 35.699 61.184 -21.527 1.00 5.20 H new ATOM 754 N ASN A 53 36.586 63.812 -24.608 1.00 61.25 N ATOM 755 CA ASN A 53 36.636 65.050 -25.374 1.00 42.12 C ATOM 756 C ASN A 53 36.063 64.833 -26.773 1.00 63.01 C ATOM 757 O ASN A 53 35.473 65.736 -27.370 1.00 23.25 O ATOM 758 CB ASN A 53 38.084 65.548 -25.465 1.00 44.53 C ATOM 759 CG ASN A 53 38.216 66.855 -26.230 1.00 73.01 C ATOM 760 OD1 ASN A 53 38.071 67.933 -25.658 1.00 72.42 O ATOM 761 ND2 ASN A 53 38.517 66.770 -27.519 1.00 31.23 N ATOM 0 H ASN A 53 37.502 63.447 -24.346 1.00 61.25 H new ATOM 0 HA ASN A 53 36.033 65.803 -24.867 1.00 42.12 H new ATOM 0 HB2 ASN A 53 38.481 65.681 -24.458 1.00 44.53 H new ATOM 0 HB3 ASN A 53 38.694 64.786 -25.950 1.00 44.53 H new ATOM 0 HD21 ASN A 53 38.636 67.619 -28.072 1.00 31.23 H new ATOM 0 HD22 ASN A 53 38.629 65.856 -27.957 1.00 31.23 H new ATOM 768 N PHE A 54 36.221 63.617 -27.280 1.00 22.14 N ATOM 769 CA PHE A 54 35.778 63.284 -28.624 1.00 43.23 C ATOM 770 C PHE A 54 34.288 62.939 -28.649 1.00 0.30 C ATOM 771 O PHE A 54 33.529 63.505 -29.431 1.00 51.31 O ATOM 772 CB PHE A 54 36.603 62.113 -29.173 1.00 64.13 C ATOM 773 CG PHE A 54 36.301 61.769 -30.604 1.00 32.43 C ATOM 774 CD1 PHE A 54 35.527 60.663 -30.918 1.00 20.25 C ATOM 775 CD2 PHE A 54 36.795 62.551 -31.635 1.00 52.44 C ATOM 776 CE1 PHE A 54 35.251 60.344 -32.234 1.00 74.25 C ATOM 777 CE2 PHE A 54 36.522 62.237 -32.953 1.00 41.13 C ATOM 778 CZ PHE A 54 35.749 61.132 -33.253 1.00 1.54 C ATOM 0 H PHE A 54 36.655 62.843 -26.777 1.00 22.14 H new ATOM 0 HA PHE A 54 35.929 64.158 -29.257 1.00 43.23 H new ATOM 0 HB2 PHE A 54 37.662 62.355 -29.084 1.00 64.13 H new ATOM 0 HB3 PHE A 54 36.424 61.234 -28.553 1.00 64.13 H new ATOM 0 HD1 PHE A 54 35.135 60.043 -30.125 1.00 20.25 H new ATOM 0 HD2 PHE A 54 37.400 63.416 -31.406 1.00 52.44 H new ATOM 0 HE1 PHE A 54 34.647 59.479 -32.465 1.00 74.25 H new ATOM 0 HE2 PHE A 54 36.913 62.855 -33.748 1.00 41.13 H new ATOM 0 HZ PHE A 54 35.535 60.885 -34.282 1.00 1.54 H new ATOM 788 N THR A 55 33.866 62.028 -27.780 1.00 75.41 N ATOM 789 CA THR A 55 32.495 61.526 -27.815 1.00 62.12 C ATOM 790 C THR A 55 31.480 62.595 -27.395 1.00 21.25 C ATOM 791 O THR A 55 30.326 62.563 -27.823 1.00 1.24 O ATOM 792 CB THR A 55 32.318 60.260 -26.942 1.00 4.21 C ATOM 793 OG1 THR A 55 31.010 59.703 -27.135 1.00 21.43 O ATOM 794 CG2 THR A 55 32.525 60.567 -25.465 1.00 4.31 C ATOM 0 H THR A 55 34.448 61.623 -27.047 1.00 75.41 H new ATOM 0 HA THR A 55 32.300 61.257 -28.853 1.00 62.12 H new ATOM 0 HB THR A 55 33.074 59.539 -27.252 1.00 4.21 H new ATOM 0 HG1 THR A 55 30.910 58.902 -26.579 1.00 21.43 H new ATOM 0 HG21 THR A 55 32.393 59.656 -24.882 1.00 4.31 H new ATOM 0 HG22 THR A 55 33.533 60.953 -25.311 1.00 4.31 H new ATOM 0 HG23 THR A 55 31.798 61.312 -25.143 1.00 4.31 H new ATOM 802 N GLN A 56 31.910 63.555 -26.583 1.00 32.54 N ATOM 803 CA GLN A 56 31.022 64.632 -26.160 1.00 40.22 C ATOM 804 C GLN A 56 30.858 65.654 -27.275 1.00 42.31 C ATOM 805 O GLN A 56 29.890 66.413 -27.298 1.00 33.50 O ATOM 806 CB GLN A 56 31.530 65.304 -24.881 1.00 24.31 C ATOM 807 CG GLN A 56 30.863 64.783 -23.618 1.00 3.12 C ATOM 808 CD GLN A 56 31.105 63.305 -23.378 1.00 23.51 C ATOM 809 OE1 GLN A 56 30.371 62.453 -23.877 1.00 22.43 O ATOM 810 NE2 GLN A 56 32.114 62.993 -22.581 1.00 51.20 N ATOM 0 H GLN A 56 32.857 63.610 -26.208 1.00 32.54 H new ATOM 0 HA GLN A 56 30.047 64.196 -25.940 1.00 40.22 H new ATOM 0 HB2 GLN A 56 32.607 65.153 -24.803 1.00 24.31 H new ATOM 0 HB3 GLN A 56 31.364 66.379 -24.954 1.00 24.31 H new ATOM 0 HG2 GLN A 56 31.231 65.348 -22.762 1.00 3.12 H new ATOM 0 HG3 GLN A 56 29.790 64.963 -23.681 1.00 3.12 H new ATOM 0 HE21 GLN A 56 32.700 63.730 -22.187 1.00 51.20 H new ATOM 0 HE22 GLN A 56 32.306 62.016 -22.360 1.00 51.20 H new ATOM 819 N ALA A 57 31.796 65.649 -28.212 1.00 43.12 N ATOM 820 CA ALA A 57 31.705 66.499 -29.387 1.00 74.22 C ATOM 821 C ALA A 57 30.775 65.861 -30.411 1.00 13.44 C ATOM 822 O ALA A 57 30.271 66.521 -31.322 1.00 44.41 O ATOM 823 CB ALA A 57 33.086 66.731 -29.982 1.00 32.32 C ATOM 0 H ALA A 57 32.630 65.063 -28.179 1.00 43.12 H new ATOM 0 HA ALA A 57 31.296 67.467 -29.097 1.00 74.22 H new ATOM 0 HB1 ALA A 57 33.001 67.369 -30.861 1.00 32.32 H new ATOM 0 HB2 ALA A 57 33.724 67.215 -29.243 1.00 32.32 H new ATOM 0 HB3 ALA A 57 33.524 65.775 -30.269 1.00 32.32 H new ATOM 829 N ILE A 58 30.546 64.565 -30.249 1.00 52.41 N ATOM 830 CA ILE A 58 29.642 63.839 -31.123 1.00 43.42 C ATOM 831 C ILE A 58 28.195 64.140 -30.750 1.00 42.32 C ATOM 832 O ILE A 58 27.318 64.187 -31.610 1.00 2.22 O ATOM 833 CB ILE A 58 29.886 62.318 -31.057 1.00 4.31 C ATOM 834 CG1 ILE A 58 31.375 62.013 -31.253 1.00 33.32 C ATOM 835 CG2 ILE A 58 29.046 61.598 -32.104 1.00 22.11 C ATOM 836 CD1 ILE A 58 31.685 60.537 -31.388 1.00 75.03 C ATOM 0 H ILE A 58 30.975 63.997 -29.519 1.00 52.41 H new ATOM 0 HA ILE A 58 29.835 64.170 -32.143 1.00 43.42 H new ATOM 0 HB ILE A 58 29.586 61.957 -30.073 1.00 4.31 H new ATOM 0 HG12 ILE A 58 31.728 62.532 -32.144 1.00 33.32 H new ATOM 0 HG13 ILE A 58 31.933 62.416 -30.408 1.00 33.32 H new ATOM 0 HG21 ILE A 58 29.230 60.525 -32.044 1.00 22.11 H new ATOM 0 HG22 ILE A 58 27.990 61.795 -31.922 1.00 22.11 H new ATOM 0 HG23 ILE A 58 29.316 61.957 -33.097 1.00 22.11 H new ATOM 0 HD11 ILE A 58 32.758 60.401 -31.524 1.00 75.03 H new ATOM 0 HD12 ILE A 58 31.364 60.014 -30.487 1.00 75.03 H new ATOM 0 HD13 ILE A 58 31.156 60.132 -32.251 1.00 75.03 H new ATOM 848 N GLN A 59 27.959 64.376 -29.464 1.00 20.32 N ATOM 849 CA GLN A 59 26.621 64.692 -28.975 1.00 43.14 C ATOM 850 C GLN A 59 26.103 65.981 -29.608 1.00 30.01 C ATOM 851 O GLN A 59 24.898 66.164 -29.769 1.00 22.32 O ATOM 852 CB GLN A 59 26.611 64.828 -27.453 1.00 0.24 C ATOM 853 CG GLN A 59 27.034 63.568 -26.719 1.00 33.03 C ATOM 854 CD GLN A 59 26.773 63.657 -25.228 1.00 32.54 C ATOM 855 OE1 GLN A 59 25.830 64.315 -24.789 1.00 24.13 O ATOM 856 NE2 GLN A 59 27.604 63.001 -24.438 1.00 51.23 N ATOM 0 H GLN A 59 28.677 64.355 -28.740 1.00 20.32 H new ATOM 0 HA GLN A 59 25.965 63.869 -29.258 1.00 43.14 H new ATOM 0 HB2 GLN A 59 27.275 65.644 -27.167 1.00 0.24 H new ATOM 0 HB3 GLN A 59 25.608 65.105 -27.130 1.00 0.24 H new ATOM 0 HG2 GLN A 59 26.497 62.713 -27.129 1.00 33.03 H new ATOM 0 HG3 GLN A 59 28.096 63.389 -26.890 1.00 33.03 H new ATOM 0 HE21 GLN A 59 28.374 62.466 -24.839 1.00 51.23 H new ATOM 0 HE22 GLN A 59 27.475 63.029 -23.427 1.00 51.23 H new ATOM 865 N SER A 60 27.021 66.862 -29.976 1.00 51.04 N ATOM 866 CA SER A 60 26.663 68.123 -30.591 1.00 11.41 C ATOM 867 C SER A 60 26.259 67.917 -32.046 1.00 54.31 C ATOM 868 O SER A 60 25.259 68.463 -32.495 1.00 71.15 O ATOM 869 CB SER A 60 27.844 69.083 -30.515 1.00 73.34 C ATOM 870 OG SER A 60 28.409 69.079 -29.216 1.00 3.51 O ATOM 0 H SER A 60 28.024 66.722 -29.857 1.00 51.04 H new ATOM 0 HA SER A 60 25.814 68.545 -30.053 1.00 11.41 H new ATOM 0 HB2 SER A 60 28.600 68.797 -31.247 1.00 73.34 H new ATOM 0 HB3 SER A 60 27.517 70.091 -30.772 1.00 73.34 H new ATOM 0 HG SER A 60 29.167 69.700 -29.187 1.00 3.51 H new ATOM 876 N GLN A 61 27.021 67.088 -32.764 1.00 30.10 N ATOM 877 CA GLN A 61 26.825 66.919 -34.206 1.00 24.42 C ATOM 878 C GLN A 61 25.581 66.084 -34.512 1.00 14.32 C ATOM 879 O GLN A 61 25.210 65.910 -35.674 1.00 1.12 O ATOM 880 CB GLN A 61 28.066 66.292 -34.855 1.00 64.21 C ATOM 881 CG GLN A 61 28.366 64.879 -34.396 1.00 32.32 C ATOM 882 CD GLN A 61 29.641 64.338 -35.006 1.00 64.01 C ATOM 883 OE1 GLN A 61 30.757 64.571 -34.335 1.00 52.54 O flip ATOM 884 NE2 GLN A 61 29.623 63.723 -36.072 1.00 61.52 N flip ATOM 0 H GLN A 61 27.776 66.525 -32.372 1.00 30.10 H new ATOM 0 HA GLN A 61 26.673 67.910 -34.633 1.00 24.42 H new ATOM 0 HB2 GLN A 61 27.933 66.289 -35.937 1.00 64.21 H new ATOM 0 HB3 GLN A 61 28.930 66.921 -34.642 1.00 64.21 H new ATOM 0 HG2 GLN A 61 28.449 64.862 -33.309 1.00 32.32 H new ATOM 0 HG3 GLN A 61 27.533 64.228 -34.662 1.00 32.32 H new ATOM 0 HE21 GLN A 61 28.739 63.566 -36.555 1.00 61.52 H new ATOM 0 HE22 GLN A 61 30.492 63.370 -36.472 1.00 61.52 H new ATOM 893 N ILE A 62 24.929 65.584 -33.468 1.00 25.21 N ATOM 894 CA ILE A 62 23.667 64.868 -33.625 1.00 60.23 C ATOM 895 C ILE A 62 22.577 65.828 -34.108 1.00 4.22 C ATOM 896 O ILE A 62 21.554 65.412 -34.653 1.00 73.53 O ATOM 897 CB ILE A 62 23.230 64.197 -32.298 1.00 31.41 C ATOM 898 CG1 ILE A 62 24.324 63.248 -31.797 1.00 75.12 C ATOM 899 CG2 ILE A 62 21.919 63.439 -32.473 1.00 11.33 C ATOM 900 CD1 ILE A 62 24.006 62.590 -30.469 1.00 54.33 C ATOM 0 H ILE A 62 25.253 65.661 -32.504 1.00 25.21 H new ATOM 0 HA ILE A 62 23.815 64.084 -34.367 1.00 60.23 H new ATOM 0 HB ILE A 62 23.074 64.982 -31.558 1.00 31.41 H new ATOM 0 HG12 ILE A 62 24.489 62.473 -32.545 1.00 75.12 H new ATOM 0 HG13 ILE A 62 25.257 63.803 -31.702 1.00 75.12 H new ATOM 0 HG21 ILE A 62 21.636 62.978 -31.527 1.00 11.33 H new ATOM 0 HG22 ILE A 62 21.138 64.131 -32.788 1.00 11.33 H new ATOM 0 HG23 ILE A 62 22.044 62.665 -33.230 1.00 11.33 H new ATOM 0 HD11 ILE A 62 24.828 61.934 -30.182 1.00 54.33 H new ATOM 0 HD12 ILE A 62 23.871 63.357 -29.706 1.00 54.33 H new ATOM 0 HD13 ILE A 62 23.091 62.006 -30.562 1.00 54.33 H new ATOM 912 N LEU A 63 22.831 67.125 -33.944 1.00 64.35 N ATOM 913 CA LEU A 63 21.879 68.158 -34.336 1.00 53.53 C ATOM 914 C LEU A 63 21.644 68.149 -35.849 1.00 34.31 C ATOM 915 O LEU A 63 20.640 68.668 -36.334 1.00 74.53 O ATOM 916 CB LEU A 63 22.356 69.541 -33.841 1.00 24.15 C ATOM 917 CG LEU A 63 23.359 70.324 -34.720 1.00 14.34 C ATOM 918 CD1 LEU A 63 23.874 71.535 -33.953 1.00 52.54 C ATOM 919 CD2 LEU A 63 24.534 69.464 -35.173 1.00 61.01 C ATOM 0 H LEU A 63 23.695 67.485 -33.539 1.00 64.35 H new ATOM 0 HA LEU A 63 20.921 67.943 -33.863 1.00 53.53 H new ATOM 0 HB2 LEU A 63 21.475 70.167 -33.702 1.00 24.15 H new ATOM 0 HB3 LEU A 63 22.809 69.405 -32.859 1.00 24.15 H new ATOM 0 HG LEU A 63 22.827 70.642 -35.616 1.00 14.34 H new ATOM 0 HD11 LEU A 63 24.581 72.085 -34.574 1.00 52.54 H new ATOM 0 HD12 LEU A 63 23.038 72.184 -33.693 1.00 52.54 H new ATOM 0 HD13 LEU A 63 24.373 71.204 -33.042 1.00 52.54 H new ATOM 0 HD21 LEU A 63 25.207 70.062 -35.787 1.00 61.01 H new ATOM 0 HD22 LEU A 63 25.071 69.093 -34.300 1.00 61.01 H new ATOM 0 HD23 LEU A 63 24.164 68.621 -35.756 1.00 61.01 H new ATOM 931 N GLY A 64 22.571 67.541 -36.587 1.00 54.14 N ATOM 932 CA GLY A 64 22.409 67.401 -38.020 1.00 43.53 C ATOM 933 C GLY A 64 21.521 66.224 -38.355 1.00 42.50 C ATOM 934 O GLY A 64 20.805 66.230 -39.360 1.00 45.41 O ATOM 0 H GLY A 64 23.433 67.143 -36.214 1.00 54.14 H new ATOM 0 HA2 GLY A 64 21.978 68.314 -38.431 1.00 43.53 H new ATOM 0 HA3 GLY A 64 23.384 67.269 -38.488 1.00 43.53 H new ATOM 938 N GLY A 65 21.558 65.212 -37.496 1.00 25.24 N ATOM 939 CA GLY A 65 20.687 64.068 -37.658 1.00 5.50 C ATOM 940 C GLY A 65 19.249 64.436 -37.378 1.00 33.53 C ATOM 941 O GLY A 65 18.321 63.829 -37.908 1.00 11.34 O ATOM 0 H GLY A 65 22.179 65.165 -36.688 1.00 25.24 H new ATOM 0 HA2 GLY A 65 20.776 63.680 -38.673 1.00 5.50 H new ATOM 0 HA3 GLY A 65 21.000 63.271 -36.984 1.00 5.50 H new ATOM 945 N LEU A 66 19.071 65.465 -36.560 1.00 53.33 N ATOM 946 CA LEU A 66 17.747 65.991 -36.255 1.00 72.23 C ATOM 947 C LEU A 66 17.157 66.703 -37.471 1.00 34.12 C ATOM 948 O LEU A 66 16.005 67.133 -37.458 1.00 33.03 O ATOM 949 CB LEU A 66 17.824 66.954 -35.069 1.00 31.31 C ATOM 950 CG LEU A 66 18.399 66.355 -33.784 1.00 64.21 C ATOM 951 CD1 LEU A 66 18.484 67.412 -32.695 1.00 22.03 C ATOM 952 CD2 LEU A 66 17.556 65.176 -33.319 1.00 65.03 C ATOM 0 H LEU A 66 19.834 65.955 -36.093 1.00 53.33 H new ATOM 0 HA LEU A 66 17.096 65.157 -35.994 1.00 72.23 H new ATOM 0 HB2 LEU A 66 18.433 67.812 -35.356 1.00 31.31 H new ATOM 0 HB3 LEU A 66 16.822 67.330 -34.860 1.00 31.31 H new ATOM 0 HG LEU A 66 19.406 65.995 -33.994 1.00 64.21 H new ATOM 0 HD11 LEU A 66 18.895 66.968 -31.788 1.00 22.03 H new ATOM 0 HD12 LEU A 66 19.130 68.225 -33.026 1.00 22.03 H new ATOM 0 HD13 LEU A 66 17.487 67.802 -32.488 1.00 22.03 H new ATOM 0 HD21 LEU A 66 17.981 64.763 -32.404 1.00 65.03 H new ATOM 0 HD22 LEU A 66 16.537 65.511 -33.127 1.00 65.03 H new ATOM 0 HD23 LEU A 66 17.546 64.408 -34.093 1.00 65.03 H new ATOM 964 N LEU A 67 17.960 66.821 -38.520 1.00 53.21 N ATOM 965 CA LEU A 67 17.525 67.453 -39.753 1.00 64.45 C ATOM 966 C LEU A 67 17.362 66.421 -40.868 1.00 60.43 C ATOM 967 O LEU A 67 16.249 66.146 -41.311 1.00 44.24 O ATOM 968 CB LEU A 67 18.527 68.528 -40.185 1.00 51.43 C ATOM 969 CG LEU A 67 18.768 69.644 -39.167 1.00 3.00 C ATOM 970 CD1 LEU A 67 19.828 70.605 -39.679 1.00 70.32 C ATOM 971 CD2 LEU A 67 17.469 70.383 -38.874 1.00 22.21 C ATOM 0 H LEU A 67 18.922 66.484 -38.539 1.00 53.21 H new ATOM 0 HA LEU A 67 16.558 67.920 -39.567 1.00 64.45 H new ATOM 0 HB2 LEU A 67 19.480 68.046 -40.404 1.00 51.43 H new ATOM 0 HB3 LEU A 67 18.176 68.976 -41.114 1.00 51.43 H new ATOM 0 HG LEU A 67 19.127 69.199 -38.239 1.00 3.00 H new ATOM 0 HD11 LEU A 67 19.989 71.394 -38.944 1.00 70.32 H new ATOM 0 HD12 LEU A 67 20.761 70.065 -39.842 1.00 70.32 H new ATOM 0 HD13 LEU A 67 19.496 71.046 -40.619 1.00 70.32 H new ATOM 0 HD21 LEU A 67 17.656 71.174 -38.148 1.00 22.21 H new ATOM 0 HD22 LEU A 67 17.083 70.820 -39.795 1.00 22.21 H new ATOM 0 HD23 LEU A 67 16.737 69.685 -38.469 1.00 22.21 H new ATOM 983 N SER A 68 18.470 65.829 -41.296 1.00 40.32 N ATOM 984 CA SER A 68 18.469 64.972 -42.481 1.00 11.31 C ATOM 985 C SER A 68 18.391 63.484 -42.138 1.00 75.02 C ATOM 986 O SER A 68 18.650 62.630 -42.989 1.00 75.11 O ATOM 987 CB SER A 68 19.725 65.249 -43.305 1.00 0.14 C ATOM 988 OG SER A 68 19.853 66.634 -43.584 1.00 4.11 O ATOM 0 H SER A 68 19.379 65.924 -40.844 1.00 40.32 H new ATOM 0 HA SER A 68 17.574 65.211 -43.055 1.00 11.31 H new ATOM 0 HB2 SER A 68 20.604 64.900 -42.763 1.00 0.14 H new ATOM 0 HB3 SER A 68 19.683 64.688 -44.239 1.00 0.14 H new ATOM 0 HG SER A 68 20.665 66.788 -44.111 1.00 4.11 H new ATOM 994 N ASN A 69 18.025 63.163 -40.909 1.00 22.22 N ATOM 995 CA ASN A 69 17.894 61.765 -40.512 1.00 3.21 C ATOM 996 C ASN A 69 16.540 61.531 -39.844 1.00 33.23 C ATOM 997 O ASN A 69 16.339 60.557 -39.123 1.00 41.32 O ATOM 998 CB ASN A 69 19.043 61.367 -39.578 1.00 53.44 C ATOM 999 CG ASN A 69 19.198 59.862 -39.452 1.00 25.14 C ATOM 1000 OD1 ASN A 69 18.884 59.111 -40.378 1.00 41.35 O ATOM 1001 ND2 ASN A 69 19.709 59.412 -38.318 1.00 2.13 N ATOM 0 H ASN A 69 17.815 63.839 -40.175 1.00 22.22 H new ATOM 0 HA ASN A 69 17.948 61.138 -41.402 1.00 3.21 H new ATOM 0 HB2 ASN A 69 19.974 61.795 -39.951 1.00 53.44 H new ATOM 0 HB3 ASN A 69 18.869 61.795 -38.591 1.00 53.44 H new ATOM 0 HD21 ASN A 69 19.856 58.411 -38.186 1.00 2.13 H new ATOM 0 HD22 ASN A 69 19.956 60.066 -37.575 1.00 2.13 H new ATOM 1008 N ILE A 70 15.600 62.434 -40.115 1.00 71.41 N ATOM 1009 CA ILE A 70 14.245 62.321 -39.581 1.00 54.25 C ATOM 1010 C ILE A 70 13.361 61.591 -40.594 1.00 15.54 C ATOM 1011 O ILE A 70 12.207 61.248 -40.318 1.00 23.53 O ATOM 1012 CB ILE A 70 13.654 63.718 -39.253 1.00 3.10 C ATOM 1013 CG1 ILE A 70 14.588 64.474 -38.305 1.00 23.53 C ATOM 1014 CG2 ILE A 70 12.262 63.605 -38.639 1.00 12.32 C ATOM 1015 CD1 ILE A 70 14.787 63.790 -36.970 1.00 42.43 C ATOM 0 H ILE A 70 15.753 63.254 -40.703 1.00 71.41 H new ATOM 0 HA ILE A 70 14.280 61.752 -38.652 1.00 54.25 H new ATOM 0 HB ILE A 70 13.563 64.272 -40.187 1.00 3.10 H new ATOM 0 HG12 ILE A 70 15.558 64.598 -38.787 1.00 23.53 H new ATOM 0 HG13 ILE A 70 14.187 65.473 -38.135 1.00 23.53 H new ATOM 0 HG21 ILE A 70 11.878 64.602 -38.422 1.00 12.32 H new ATOM 0 HG22 ILE A 70 11.595 63.104 -39.340 1.00 12.32 H new ATOM 0 HG23 ILE A 70 12.317 63.028 -37.716 1.00 12.32 H new ATOM 0 HD11 ILE A 70 15.461 64.385 -36.353 1.00 42.43 H new ATOM 0 HD12 ILE A 70 13.826 63.690 -36.466 1.00 42.43 H new ATOM 0 HD13 ILE A 70 15.218 62.801 -37.128 1.00 42.43 H new ATOM 1129 N MET A 78 18.763 44.457 -41.835 1.00 12.00 N ATOM 1130 CA MET A 78 18.687 43.096 -42.339 1.00 2.03 C ATOM 1131 C MET A 78 19.220 42.138 -41.283 1.00 70.13 C ATOM 1132 O MET A 78 20.386 42.211 -40.905 1.00 44.34 O ATOM 1133 CB MET A 78 19.479 42.947 -43.640 1.00 63.14 C ATOM 1134 CG MET A 78 19.415 41.546 -44.228 1.00 52.15 C ATOM 1135 SD MET A 78 20.294 41.407 -45.796 1.00 73.31 S ATOM 1136 CE MET A 78 21.968 41.783 -45.282 1.00 35.54 C ATOM 0 HA MET A 78 17.645 42.858 -42.555 1.00 2.03 H new ATOM 0 HB2 MET A 78 19.098 43.658 -44.373 1.00 63.14 H new ATOM 0 HB3 MET A 78 20.521 43.208 -43.455 1.00 63.14 H new ATOM 0 HG2 MET A 78 19.838 40.838 -43.515 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.372 41.266 -44.375 1.00 52.15 H new ATOM 0 HE1 MET A 78 22.667 41.451 -46.049 1.00 35.54 H new ATOM 0 HE2 MET A 78 22.071 42.858 -45.138 1.00 35.54 H new ATOM 0 HE3 MET A 78 22.185 41.269 -44.346 1.00 35.54 H new ATOM 1146 N VAL A 79 18.355 41.265 -40.785 1.00 63.22 N ATOM 1147 CA VAL A 79 18.737 40.318 -39.744 1.00 53.31 C ATOM 1148 C VAL A 79 19.739 39.292 -40.271 1.00 34.33 C ATOM 1149 O VAL A 79 19.380 38.373 -41.012 1.00 23.05 O ATOM 1150 CB VAL A 79 17.509 39.583 -39.163 1.00 51.15 C ATOM 1151 CG1 VAL A 79 17.924 38.634 -38.051 1.00 62.34 C ATOM 1152 CG2 VAL A 79 16.478 40.579 -38.655 1.00 20.14 C ATOM 0 H VAL A 79 17.383 41.192 -41.085 1.00 63.22 H new ATOM 0 HA VAL A 79 19.205 40.898 -38.948 1.00 53.31 H new ATOM 0 HB VAL A 79 17.057 38.996 -39.962 1.00 51.15 H new ATOM 0 HG11 VAL A 79 17.043 38.128 -37.657 1.00 62.34 H new ATOM 0 HG12 VAL A 79 18.622 37.895 -38.445 1.00 62.34 H new ATOM 0 HG13 VAL A 79 18.406 39.198 -37.252 1.00 62.34 H new ATOM 0 HG21 VAL A 79 15.621 40.041 -38.250 1.00 20.14 H new ATOM 0 HG22 VAL A 79 16.922 41.195 -37.873 1.00 20.14 H new ATOM 0 HG23 VAL A 79 16.151 41.216 -39.477 1.00 20.14 H new ATOM 1162 N THR A 80 20.998 39.480 -39.907 1.00 24.24 N ATOM 1163 CA THR A 80 22.052 38.546 -40.263 1.00 43.31 C ATOM 1164 C THR A 80 22.520 37.755 -39.039 1.00 22.22 C ATOM 1165 O THR A 80 22.187 38.103 -37.904 1.00 20.53 O ATOM 1166 CB THR A 80 23.243 39.285 -40.903 1.00 4.42 C ATOM 1167 OG1 THR A 80 23.361 40.597 -40.338 1.00 23.43 O ATOM 1168 CG2 THR A 80 23.074 39.390 -42.411 1.00 23.11 C ATOM 0 H THR A 80 21.316 40.280 -39.360 1.00 24.24 H new ATOM 0 HA THR A 80 21.644 37.845 -40.991 1.00 43.31 H new ATOM 0 HB THR A 80 24.149 38.715 -40.698 1.00 4.42 H new ATOM 0 HG1 THR A 80 23.754 40.533 -39.442 1.00 23.43 H new ATOM 0 HG21 THR A 80 23.928 39.916 -42.837 1.00 23.11 H new ATOM 0 HG22 THR A 80 23.012 38.390 -42.841 1.00 23.11 H new ATOM 0 HG23 THR A 80 22.160 39.939 -42.637 1.00 23.11 H new ATOM 1176 N ASN A 81 23.293 36.699 -39.275 1.00 12.13 N ATOM 1177 CA ASN A 81 23.716 35.786 -38.211 1.00 13.33 C ATOM 1178 C ASN A 81 24.610 36.485 -37.184 1.00 53.52 C ATOM 1179 O ASN A 81 24.177 36.775 -36.067 1.00 72.31 O ATOM 1180 CB ASN A 81 24.448 34.582 -38.815 1.00 31.34 C ATOM 1181 CG ASN A 81 24.576 33.416 -37.850 1.00 23.22 C ATOM 1182 OD1 ASN A 81 24.615 33.591 -36.632 1.00 55.05 O ATOM 1183 ND2 ASN A 81 24.636 32.211 -38.395 1.00 51.02 N ATOM 0 H ASN A 81 23.643 36.451 -40.200 1.00 12.13 H new ATOM 0 HA ASN A 81 22.821 35.445 -37.690 1.00 13.33 H new ATOM 0 HB2 ASN A 81 23.916 34.251 -39.707 1.00 31.34 H new ATOM 0 HB3 ASN A 81 25.443 34.892 -39.134 1.00 31.34 H new ATOM 0 HD21 ASN A 81 24.718 31.386 -37.801 1.00 51.02 H new ATOM 0 HD22 ASN A 81 24.601 32.108 -39.409 1.00 51.02 H new ATOM 1190 N ASP A 82 25.854 36.757 -37.559 1.00 32.11 N ATOM 1191 CA ASP A 82 26.799 37.394 -36.643 1.00 24.13 C ATOM 1192 C ASP A 82 27.285 38.712 -37.234 1.00 61.51 C ATOM 1193 O ASP A 82 28.420 39.136 -37.026 1.00 75.51 O ATOM 1194 CB ASP A 82 27.981 36.460 -36.343 1.00 23.52 C ATOM 1195 CG ASP A 82 28.723 36.850 -35.073 1.00 72.21 C ATOM 1196 OD1 ASP A 82 28.059 37.252 -34.095 1.00 63.25 O ATOM 1197 OD2 ASP A 82 29.962 36.714 -35.032 1.00 30.43 O1- ATOM 0 H ASP A 82 26.232 36.549 -38.483 1.00 32.11 H new ATOM 0 HA ASP A 82 26.291 37.600 -35.701 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.617 35.437 -36.248 1.00 23.52 H new ATOM 0 HB3 ASP A 82 28.674 36.474 -37.184 1.00 23.52 H new ATOM 1202 N TYR A 83 26.398 39.359 -37.971 1.00 2.10 N ATOM 1203 CA TYR A 83 26.686 40.651 -38.572 1.00 61.22 C ATOM 1204 C TYR A 83 25.625 41.663 -38.176 1.00 25.13 C ATOM 1205 O TYR A 83 24.453 41.318 -38.024 1.00 35.42 O ATOM 1206 CB TYR A 83 26.758 40.534 -40.097 1.00 22.35 C ATOM 1207 CG TYR A 83 28.122 40.134 -40.610 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.508 38.801 -40.679 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.026 41.100 -41.024 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.761 38.446 -41.146 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.276 40.755 -41.494 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.640 39.429 -41.553 1.00 0.23 C ATOM 1213 OH TYR A 83 31.892 39.089 -42.015 1.00 35.22 O ATOM 0 H TYR A 83 25.462 39.006 -38.169 1.00 2.10 H new ATOM 0 HA TYR A 83 27.654 40.992 -38.205 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.024 39.801 -40.432 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.479 41.490 -40.540 1.00 22.35 H new ATOM 0 HD1 TYR A 83 27.820 38.031 -40.363 1.00 54.31 H new ATOM 0 HD2 TYR A 83 28.746 42.142 -40.978 1.00 61.31 H new ATOM 0 HE1 TYR A 83 30.049 37.406 -41.192 1.00 54.50 H new ATOM 0 HE2 TYR A 83 30.966 41.522 -41.814 1.00 43.02 H new ATOM 0 HH TYR A 83 32.570 39.606 -41.532 1.00 35.22 H new ATOM 1223 N ILE A 84 26.045 42.903 -37.983 1.00 71.04 N ATOM 1224 CA ILE A 84 25.117 43.982 -37.699 1.00 33.43 C ATOM 1225 C ILE A 84 25.027 44.895 -38.911 1.00 24.33 C ATOM 1226 O ILE A 84 25.914 45.712 -39.149 1.00 13.30 O ATOM 1227 CB ILE A 84 25.528 44.818 -36.460 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.655 43.942 -35.208 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.522 45.934 -36.214 1.00 63.41 C ATOM 1230 CD1 ILE A 84 26.966 43.182 -35.113 1.00 21.15 C ATOM 0 H ILE A 84 27.024 43.186 -38.018 1.00 71.04 H new ATOM 0 HA ILE A 84 24.151 43.529 -37.478 1.00 33.43 H new ATOM 0 HB ILE A 84 26.505 45.255 -36.667 1.00 35.11 H new ATOM 0 HG12 ILE A 84 25.548 44.572 -34.325 1.00 70.51 H new ATOM 0 HG13 ILE A 84 24.832 43.228 -35.192 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.825 46.511 -35.341 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.483 46.588 -37.085 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.536 45.503 -36.040 1.00 63.41 H new ATOM 0 HD11 ILE A 84 26.976 42.587 -34.200 1.00 21.15 H new ATOM 0 HD12 ILE A 84 27.069 42.524 -35.976 1.00 21.15 H new ATOM 0 HD13 ILE A 84 27.796 43.889 -35.095 1.00 21.15 H new ATOM 1242 N VAL A 85 23.977 44.730 -39.693 1.00 45.21 N ATOM 1243 CA VAL A 85 23.814 45.512 -40.903 1.00 41.00 C ATOM 1244 C VAL A 85 22.466 46.231 -40.912 1.00 52.13 C ATOM 1245 O VAL A 85 21.402 45.610 -41.008 1.00 43.50 O ATOM 1246 CB VAL A 85 23.986 44.638 -42.171 1.00 62.43 C ATOM 1247 CG1 VAL A 85 23.083 43.415 -42.129 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.727 45.453 -43.430 1.00 64.33 C ATOM 0 H VAL A 85 23.226 44.063 -39.513 1.00 45.21 H new ATOM 0 HA VAL A 85 24.600 46.267 -40.915 1.00 41.00 H new ATOM 0 HB VAL A 85 25.019 44.289 -42.193 1.00 62.43 H new ATOM 0 HG11 VAL A 85 23.229 42.824 -43.033 1.00 1.04 H new ATOM 0 HG12 VAL A 85 23.330 42.810 -41.256 1.00 1.04 H new ATOM 0 HG13 VAL A 85 22.042 43.733 -42.067 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.854 44.818 -44.307 1.00 64.33 H new ATOM 0 HG22 VAL A 85 22.709 45.843 -43.408 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.432 46.283 -43.478 1.00 64.33 H new ATOM 1258 N ASP A 86 22.522 47.547 -40.786 1.00 31.13 N ATOM 1259 CA ASP A 86 21.319 48.368 -40.755 1.00 20.21 C ATOM 1260 C ASP A 86 21.224 49.193 -42.028 1.00 24.31 C ATOM 1261 O ASP A 86 22.242 49.635 -42.568 1.00 74.51 O ATOM 1262 CB ASP A 86 21.325 49.285 -39.523 1.00 4.42 C ATOM 1263 CG ASP A 86 20.056 50.111 -39.392 1.00 33.31 C ATOM 1264 OD1 ASP A 86 20.083 51.313 -39.728 1.00 21.44 O ATOM 1265 OD2 ASP A 86 19.028 49.565 -38.940 1.00 45.22 O1- ATOM 0 H ASP A 86 23.392 48.073 -40.703 1.00 31.13 H new ATOM 0 HA ASP A 86 20.449 47.714 -40.691 1.00 20.21 H new ATOM 0 HB2 ASP A 86 21.452 48.679 -38.626 1.00 4.42 H new ATOM 0 HB3 ASP A 86 22.184 49.954 -39.579 1.00 4.42 H new ATOM 1270 N ILE A 87 20.005 49.384 -42.515 1.00 70.13 N ATOM 1271 CA ILE A 87 19.783 50.148 -43.729 1.00 11.31 C ATOM 1272 C ILE A 87 19.653 51.626 -43.387 1.00 5.45 C ATOM 1273 O ILE A 87 18.594 52.089 -42.954 1.00 31.44 O ATOM 1274 CB ILE A 87 18.518 49.670 -44.480 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.600 48.164 -44.742 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.360 50.427 -45.794 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.354 47.579 -45.371 1.00 31.30 C ATOM 0 H ILE A 87 19.155 49.018 -42.085 1.00 70.13 H new ATOM 0 HA ILE A 87 20.639 49.994 -44.386 1.00 11.31 H new ATOM 0 HB ILE A 87 17.646 49.872 -43.858 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.451 47.965 -45.393 1.00 41.53 H new ATOM 0 HG13 ILE A 87 18.793 47.652 -43.799 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.465 50.078 -46.309 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.269 51.494 -45.591 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.233 50.251 -46.423 1.00 33.35 H new ATOM 0 HD11 ILE A 87 17.492 46.509 -45.524 1.00 31.30 H new ATOM 0 HD12 ILE A 87 16.502 47.744 -44.712 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.170 48.062 -46.331 1.00 31.30 H new ATOM 1289 N ALA A 88 20.739 52.355 -43.560 1.00 34.53 N ATOM 1290 CA ALA A 88 20.773 53.759 -43.210 1.00 21.21 C ATOM 1291 C ALA A 88 20.311 54.625 -44.371 1.00 23.43 C ATOM 1292 O ALA A 88 21.106 55.029 -45.222 1.00 54.14 O ATOM 1293 CB ALA A 88 22.168 54.169 -42.765 1.00 40.44 C ATOM 0 H ALA A 88 21.613 51.994 -43.943 1.00 34.53 H new ATOM 0 HA ALA A 88 20.085 53.912 -42.379 1.00 21.21 H new ATOM 0 HB1 ALA A 88 22.171 55.228 -42.507 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.459 53.582 -41.894 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.875 53.991 -43.575 1.00 40.44 H new ATOM 1299 N ASN A 89 19.013 54.876 -44.429 1.00 52.24 N ATOM 1300 CA ASN A 89 18.479 55.823 -45.393 1.00 21.13 C ATOM 1301 C ASN A 89 18.577 57.226 -44.812 1.00 22.12 C ATOM 1302 O ASN A 89 17.610 57.774 -44.282 1.00 62.21 O ATOM 1303 CB ASN A 89 17.037 55.470 -45.781 1.00 44.43 C ATOM 1304 CG ASN A 89 16.421 56.444 -46.779 1.00 51.24 C ATOM 1305 OD1 ASN A 89 16.741 56.281 -48.056 1.00 34.21 O flip ATOM 1306 ND2 ASN A 89 15.668 57.339 -46.405 1.00 52.10 N flip ATOM 0 H ASN A 89 18.315 54.441 -43.825 1.00 52.24 H new ATOM 0 HA ASN A 89 19.067 55.776 -46.310 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.019 54.466 -46.206 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.422 55.447 -44.881 1.00 44.43 H new ATOM 0 HD21 ASN A 89 15.443 57.436 -45.415 1.00 52.10 H new ATOM 0 HD22 ASN A 89 15.268 57.986 -47.085 1.00 52.10 H new ATOM 1313 N ARG A 90 19.785 57.759 -44.855 1.00 34.23 N ATOM 1314 CA ARG A 90 20.071 59.077 -44.320 1.00 61.53 C ATOM 1315 C ARG A 90 20.173 60.067 -45.466 1.00 14.51 C ATOM 1316 O ARG A 90 20.654 59.707 -46.545 1.00 31.12 O ATOM 1317 CB ARG A 90 21.383 59.037 -43.532 1.00 1.00 C ATOM 1318 CG ARG A 90 21.635 60.264 -42.674 1.00 75.44 C ATOM 1319 CD ARG A 90 22.992 60.192 -41.989 1.00 14.21 C ATOM 1320 NE ARG A 90 24.098 60.414 -42.923 1.00 45.22 N ATOM 1321 CZ ARG A 90 25.291 59.818 -42.838 1.00 45.51 C ATOM 1322 NH1 ARG A 90 25.525 58.900 -41.903 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 26.249 60.136 -43.699 1.00 21.12 N ATOM 0 H ARG A 90 20.595 57.290 -45.262 1.00 34.23 H new ATOM 0 HA ARG A 90 19.270 59.388 -43.649 1.00 61.53 H new ATOM 0 HB2 ARG A 90 21.382 58.155 -42.892 1.00 1.00 H new ATOM 0 HB3 ARG A 90 22.210 58.922 -44.232 1.00 1.00 H new ATOM 0 HG2 ARG A 90 21.585 61.160 -43.293 1.00 75.44 H new ATOM 0 HG3 ARG A 90 20.850 60.352 -41.923 1.00 75.44 H new ATOM 0 HD2 ARG A 90 23.035 60.937 -41.194 1.00 14.21 H new ATOM 0 HD3 ARG A 90 23.107 59.216 -41.518 1.00 14.21 H new ATOM 0 HE ARG A 90 23.947 61.068 -43.691 1.00 45.22 H new ATOM 0 HH11 ARG A 90 24.790 58.646 -41.243 1.00 34.45 H new ATOM 0 HH12 ARG A 90 26.439 58.451 -41.847 1.00 34.45 H new ATOM 0 HH21 ARG A 90 26.074 60.833 -44.423 1.00 21.12 H new ATOM 0 HH22 ARG A 90 27.161 59.683 -43.637 1.00 21.12 H new ATOM 1337 N ASP A 91 19.713 61.297 -45.234 1.00 14.33 N ATOM 1338 CA ASP A 91 19.698 62.343 -46.262 1.00 71.02 C ATOM 1339 C ASP A 91 18.677 62.015 -47.350 1.00 43.52 C ATOM 1340 O ASP A 91 17.660 62.692 -47.489 1.00 61.51 O ATOM 1341 CB ASP A 91 21.090 62.531 -46.875 1.00 34.34 C ATOM 1342 CG ASP A 91 21.104 63.553 -47.992 1.00 2.00 C ATOM 1343 OD1 ASP A 91 20.840 63.179 -49.154 1.00 21.24 O ATOM 1344 OD2 ASP A 91 21.387 64.737 -47.714 1.00 32.31 O1- ATOM 0 H ASP A 91 19.341 61.597 -44.333 1.00 14.33 H new ATOM 0 HA ASP A 91 19.407 63.279 -45.784 1.00 71.02 H new ATOM 0 HB2 ASP A 91 21.787 62.841 -46.096 1.00 34.34 H new ATOM 0 HB3 ASP A 91 21.446 61.575 -47.259 1.00 34.34 H new ATOM 1349 N GLY A 92 18.956 60.971 -48.108 1.00 75.32 N ATOM 1350 CA GLY A 92 18.060 60.533 -49.154 1.00 62.34 C ATOM 1351 C GLY A 92 18.686 59.444 -49.992 1.00 52.21 C ATOM 1352 O GLY A 92 18.416 59.334 -51.187 1.00 23.30 O ATOM 0 H GLY A 92 19.802 60.409 -48.015 1.00 75.32 H new ATOM 0 HA2 GLY A 92 17.133 60.167 -48.712 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.798 61.379 -49.790 1.00 62.34 H new ATOM 1356 N GLN A 93 19.530 58.641 -49.357 1.00 55.42 N ATOM 1357 CA GLN A 93 20.245 57.569 -50.038 1.00 43.03 C ATOM 1358 C GLN A 93 20.228 56.308 -49.187 1.00 53.23 C ATOM 1359 O GLN A 93 20.181 56.383 -47.961 1.00 62.41 O ATOM 1360 CB GLN A 93 21.693 57.984 -50.317 1.00 32.14 C ATOM 1361 CG GLN A 93 21.835 59.066 -51.375 1.00 62.32 C ATOM 1362 CD GLN A 93 21.486 58.566 -52.766 1.00 5.43 C ATOM 1363 OE1 GLN A 93 22.351 58.086 -53.498 1.00 25.23 O ATOM 1364 NE2 GLN A 93 20.218 58.661 -53.133 1.00 33.20 N ATOM 0 H GLN A 93 19.738 58.713 -48.361 1.00 55.42 H new ATOM 0 HA GLN A 93 19.747 57.369 -50.987 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.144 58.336 -49.389 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.257 57.106 -50.632 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.188 59.906 -51.121 1.00 62.32 H new ATOM 0 HG3 GLN A 93 22.859 59.440 -51.373 1.00 62.32 H new ATOM 0 HE21 GLN A 93 19.532 59.066 -52.496 1.00 33.20 H new ATOM 0 HE22 GLN A 93 19.927 58.330 -54.053 1.00 33.20 H new ATOM 1373 N LEU A 94 20.259 55.156 -49.838 1.00 22.14 N ATOM 1374 CA LEU A 94 20.287 53.884 -49.135 1.00 50.31 C ATOM 1375 C LEU A 94 21.726 53.482 -48.837 1.00 43.43 C ATOM 1376 O LEU A 94 22.449 53.032 -49.724 1.00 52.24 O ATOM 1377 CB LEU A 94 19.603 52.778 -49.957 1.00 41.23 C ATOM 1378 CG LEU A 94 18.071 52.842 -50.045 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.457 52.903 -48.658 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.614 54.024 -50.888 1.00 42.11 C ATOM 0 H LEU A 94 20.265 55.076 -50.855 1.00 22.14 H new ATOM 0 HA LEU A 94 19.740 54.006 -48.200 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.005 52.807 -50.970 1.00 41.23 H new ATOM 0 HB3 LEU A 94 19.881 51.814 -49.531 1.00 41.23 H new ATOM 0 HG LEU A 94 17.727 51.931 -50.535 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.371 52.948 -48.742 1.00 1.43 H new ATOM 0 HD12 LEU A 94 17.741 52.014 -48.095 1.00 1.43 H new ATOM 0 HD13 LEU A 94 17.818 53.791 -48.139 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.525 54.041 -50.931 1.00 42.11 H new ATOM 0 HD22 LEU A 94 17.974 54.951 -50.441 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.015 53.928 -51.897 1.00 42.11 H new ATOM 1392 N GLN A 95 22.148 53.681 -47.602 1.00 22.34 N ATOM 1393 CA GLN A 95 23.488 53.305 -47.185 1.00 52.10 C ATOM 1394 C GLN A 95 23.441 52.040 -46.339 1.00 55.53 C ATOM 1395 O GLN A 95 22.767 51.989 -45.315 1.00 20.22 O ATOM 1396 CB GLN A 95 24.130 54.461 -46.416 1.00 54.30 C ATOM 1397 CG GLN A 95 25.463 54.118 -45.769 1.00 4.25 C ATOM 1398 CD GLN A 95 26.215 55.341 -45.273 1.00 5.40 C ATOM 1399 OE1 GLN A 95 26.147 56.432 -46.020 1.00 14.41 O flip ATOM 1400 NE2 GLN A 95 26.899 55.289 -44.253 1.00 5.31 N flip ATOM 0 H GLN A 95 21.580 54.103 -46.867 1.00 22.34 H new ATOM 0 HA GLN A 95 24.096 53.096 -48.065 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.275 55.299 -47.098 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.439 54.795 -45.642 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.291 53.440 -44.933 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.083 53.584 -46.489 1.00 4.25 H new ATOM 0 HE21 GLN A 95 26.928 54.431 -43.701 1.00 5.31 H new ATOM 0 HE22 GLN A 95 27.438 56.103 -43.958 1.00 5.31 H new ATOM 1409 N LEU A 96 24.142 51.013 -46.787 1.00 75.11 N ATOM 1410 CA LEU A 96 24.137 49.736 -46.099 1.00 53.33 C ATOM 1411 C LEU A 96 25.438 49.552 -45.321 1.00 12.32 C ATOM 1412 O LEU A 96 26.485 49.263 -45.905 1.00 51.50 O ATOM 1413 CB LEU A 96 23.954 48.604 -47.113 1.00 11.23 C ATOM 1414 CG LEU A 96 23.502 47.270 -46.527 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.110 47.396 -45.927 1.00 12.31 C ATOM 1416 CD2 LEU A 96 23.525 46.189 -47.594 1.00 11.35 C ATOM 0 H LEU A 96 24.722 51.040 -47.625 1.00 75.11 H new ATOM 0 HA LEU A 96 23.308 49.713 -45.392 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.224 48.921 -47.858 1.00 11.23 H new ATOM 0 HB3 LEU A 96 24.898 48.451 -47.636 1.00 11.23 H new ATOM 0 HG LEU A 96 24.194 46.988 -45.734 1.00 54.15 H new ATOM 0 HD11 LEU A 96 21.804 46.435 -45.514 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.122 48.145 -45.135 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.406 47.699 -46.702 1.00 12.31 H new ATOM 0 HD21 LEU A 96 23.200 45.243 -47.161 1.00 11.35 H new ATOM 0 HD22 LEU A 96 22.853 46.466 -48.407 1.00 11.35 H new ATOM 0 HD23 LEU A 96 24.538 46.082 -47.981 1.00 11.35 H new ATOM 1428 N ASN A 97 25.375 49.749 -44.010 1.00 24.34 N ATOM 1429 CA ASN A 97 26.559 49.653 -43.161 1.00 24.31 C ATOM 1430 C ASN A 97 26.655 48.271 -42.523 1.00 43.41 C ATOM 1431 O ASN A 97 25.800 47.883 -41.727 1.00 33.42 O ATOM 1432 CB ASN A 97 26.524 50.718 -42.059 1.00 32.34 C ATOM 1433 CG ASN A 97 26.367 52.130 -42.590 1.00 4.11 C ATOM 1434 OD1 ASN A 97 27.477 52.813 -42.822 1.00 11.22 O flip ATOM 1435 ND2 ASN A 97 25.250 52.612 -42.770 1.00 2.51 N flip ATOM 0 H ASN A 97 24.516 49.977 -43.510 1.00 24.34 H new ATOM 0 HA ASN A 97 27.433 49.818 -43.791 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.700 50.500 -41.379 1.00 32.34 H new ATOM 0 HB3 ASN A 97 27.443 50.657 -41.476 1.00 32.34 H new ATOM 0 HD21 ASN A 97 24.417 52.054 -42.580 1.00 2.51 H new ATOM 0 HD22 ASN A 97 25.156 53.569 -43.109 1.00 2.51 H new ATOM 1442 N VAL A 98 27.692 47.533 -42.883 1.00 45.14 N ATOM 1443 CA VAL A 98 27.930 46.211 -42.323 1.00 72.02 C ATOM 1444 C VAL A 98 28.979 46.271 -41.220 1.00 15.31 C ATOM 1445 O VAL A 98 30.153 46.537 -41.475 1.00 42.35 O ATOM 1446 CB VAL A 98 28.376 45.209 -43.411 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.941 43.940 -42.790 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.209 44.860 -44.312 1.00 24.02 C ATOM 0 H VAL A 98 28.389 47.830 -43.567 1.00 45.14 H new ATOM 0 HA VAL A 98 26.987 45.864 -41.900 1.00 72.02 H new ATOM 0 HB VAL A 98 29.160 45.683 -44.001 1.00 44.14 H new ATOM 0 HG11 VAL A 98 29.247 43.253 -43.580 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.804 44.190 -42.173 1.00 50.42 H new ATOM 0 HG13 VAL A 98 28.178 43.466 -42.172 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.537 44.153 -45.074 1.00 24.02 H new ATOM 0 HG22 VAL A 98 26.413 44.410 -43.719 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.837 45.765 -44.792 1.00 24.02 H new ATOM 1458 N THR A 99 28.540 46.042 -39.996 1.00 13.53 N ATOM 1459 CA THR A 99 29.431 46.015 -38.856 1.00 63.52 C ATOM 1460 C THR A 99 29.809 44.574 -38.509 1.00 34.14 C ATOM 1461 O THR A 99 28.965 43.787 -38.071 1.00 52.04 O ATOM 1462 CB THR A 99 28.770 46.698 -37.645 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.354 48.021 -38.010 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.725 46.772 -36.464 1.00 64.32 C ATOM 0 H THR A 99 27.561 45.871 -39.767 1.00 13.53 H new ATOM 0 HA THR A 99 30.339 46.561 -39.113 1.00 63.52 H new ATOM 0 HB THR A 99 27.906 46.104 -37.347 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.932 48.455 -37.240 1.00 32.14 H new ATOM 0 HG21 THR A 99 29.229 47.259 -35.625 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.023 45.765 -36.174 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.608 47.345 -36.746 1.00 64.32 H new ATOM 1472 N ASP A 100 31.070 44.231 -38.746 1.00 61.11 N ATOM 1473 CA ASP A 100 31.578 42.892 -38.449 1.00 23.41 C ATOM 1474 C ASP A 100 31.690 42.702 -36.943 1.00 63.40 C ATOM 1475 O ASP A 100 32.344 43.492 -36.264 1.00 62.23 O ATOM 1476 CB ASP A 100 32.956 42.692 -39.085 1.00 14.41 C ATOM 1477 CG ASP A 100 33.323 41.230 -39.249 1.00 53.52 C ATOM 1478 OD1 ASP A 100 33.596 40.565 -38.231 1.00 4.12 O ATOM 1479 OD2 ASP A 100 33.372 40.748 -40.401 1.00 11.31 O1- ATOM 0 H ASP A 100 31.764 44.863 -39.145 1.00 61.11 H new ATOM 0 HA ASP A 100 30.883 42.160 -38.860 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.974 43.178 -40.061 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.709 43.184 -38.470 1.00 14.41 H new ATOM 1484 N ARG A 101 31.061 41.662 -36.422 1.00 1.22 N ATOM 1485 CA ARG A 101 31.050 41.431 -34.983 1.00 70.42 C ATOM 1486 C ARG A 101 32.331 40.717 -34.541 1.00 41.44 C ATOM 1487 O ARG A 101 32.798 40.906 -33.418 1.00 3.54 O ATOM 1488 CB ARG A 101 29.800 40.621 -34.597 1.00 70.04 C ATOM 1489 CG ARG A 101 29.463 40.634 -33.108 1.00 12.41 C ATOM 1490 CD ARG A 101 30.266 39.605 -32.330 1.00 13.24 C ATOM 1491 NE ARG A 101 30.091 39.740 -30.884 1.00 14.53 N ATOM 1492 CZ ARG A 101 30.835 39.097 -29.985 1.00 32.32 C ATOM 1493 NH1 ARG A 101 31.756 38.220 -30.378 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 30.654 39.328 -28.691 1.00 52.25 N ATOM 0 H ARG A 101 30.553 40.966 -36.968 1.00 1.22 H new ATOM 0 HA ARG A 101 31.014 42.391 -34.468 1.00 70.42 H new ATOM 0 HB2 ARG A 101 28.946 41.010 -35.152 1.00 70.04 H new ATOM 0 HB3 ARG A 101 29.942 39.588 -34.914 1.00 70.04 H new ATOM 0 HG2 ARG A 101 29.657 41.627 -32.702 1.00 12.41 H new ATOM 0 HG3 ARG A 101 28.399 40.438 -32.976 1.00 12.41 H new ATOM 0 HD2 ARG A 101 29.964 38.604 -32.638 1.00 13.24 H new ATOM 0 HD3 ARG A 101 31.322 39.710 -32.577 1.00 13.24 H new ATOM 0 HE ARG A 101 29.357 40.362 -30.544 1.00 14.53 H new ATOM 0 HH11 ARG A 101 31.895 38.037 -31.372 1.00 20.33 H new ATOM 0 HH12 ARG A 101 32.323 37.731 -29.685 1.00 20.33 H new ATOM 0 HH21 ARG A 101 29.946 39.997 -28.386 1.00 52.25 H new ATOM 0 HH22 ARG A 101 31.222 38.837 -28.001 1.00 52.25 H new ATOM 1508 N LYS A 102 32.910 39.931 -35.437 1.00 25.22 N ATOM 1509 CA LYS A 102 34.074 39.117 -35.102 1.00 51.24 C ATOM 1510 C LYS A 102 35.354 39.924 -35.238 1.00 24.03 C ATOM 1511 O LYS A 102 36.114 40.092 -34.282 1.00 61.52 O ATOM 1512 CB LYS A 102 34.154 37.906 -36.031 1.00 63.24 C ATOM 1513 CG LYS A 102 32.845 37.143 -36.139 1.00 64.00 C ATOM 1514 CD LYS A 102 32.947 35.969 -37.097 1.00 42.35 C ATOM 1515 CE LYS A 102 31.676 35.140 -37.083 1.00 32.33 C ATOM 1516 NZ LYS A 102 31.751 33.984 -38.011 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.594 39.838 -36.402 1.00 25.22 H new ATOM 0 HA LYS A 102 33.966 38.786 -34.069 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.456 38.238 -37.024 1.00 63.24 H new ATOM 0 HB3 LYS A 102 34.931 37.231 -35.671 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.554 36.782 -35.153 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.059 37.818 -36.476 1.00 64.00 H new ATOM 0 HD2 LYS A 102 33.135 36.335 -38.106 1.00 42.35 H new ATOM 0 HD3 LYS A 102 33.796 35.343 -36.821 1.00 42.35 H new ATOM 0 HE2 LYS A 102 31.490 34.780 -36.071 1.00 32.33 H new ATOM 0 HE3 LYS A 102 30.830 35.770 -37.358 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 30.862 33.446 -37.969 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 31.902 34.327 -38.981 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 32.542 33.368 -37.734 1.00 73.14 H new ATOM 1530 N THR A 103 35.568 40.432 -36.437 1.00 32.11 N ATOM 1531 CA THR A 103 36.811 41.096 -36.780 1.00 65.25 C ATOM 1532 C THR A 103 36.741 42.584 -36.448 1.00 51.12 C ATOM 1533 O THR A 103 37.761 43.230 -36.200 1.00 72.12 O ATOM 1534 CB THR A 103 37.115 40.901 -38.275 1.00 3.51 C ATOM 1535 OG1 THR A 103 36.811 39.553 -38.658 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.574 41.170 -38.574 1.00 15.44 C ATOM 0 H THR A 103 34.889 40.396 -37.197 1.00 32.11 H new ATOM 0 HA THR A 103 37.613 40.652 -36.191 1.00 65.25 H new ATOM 0 HB THR A 103 36.501 41.605 -38.837 1.00 3.51 H new ATOM 0 HG1 THR A 103 37.004 39.432 -39.611 1.00 71.14 H new ATOM 0 HG21 THR A 103 38.760 41.025 -39.638 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.818 42.196 -38.300 1.00 15.44 H new ATOM 0 HG23 THR A 103 39.196 40.483 -38.000 1.00 15.44 H new ATOM 1544 N GLY A 104 35.526 43.112 -36.429 1.00 65.24 N ATOM 1545 CA GLY A 104 35.318 44.504 -36.082 1.00 42.41 C ATOM 1546 C GLY A 104 35.716 45.460 -37.186 1.00 24.42 C ATOM 1547 O GLY A 104 36.696 46.197 -37.067 1.00 13.23 O ATOM 0 H GLY A 104 34.674 42.597 -36.650 1.00 65.24 H new ATOM 0 HA2 GLY A 104 34.267 44.658 -35.839 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.890 44.737 -35.184 1.00 42.41 H new ATOM 1551 N GLN A 105 34.945 45.445 -38.263 1.00 51.35 N ATOM 1552 CA GLN A 105 35.141 46.355 -39.382 1.00 72.04 C ATOM 1553 C GLN A 105 33.788 46.881 -39.835 1.00 12.40 C ATOM 1554 O GLN A 105 32.793 46.154 -39.786 1.00 64.30 O ATOM 1555 CB GLN A 105 35.835 45.655 -40.555 1.00 71.44 C ATOM 1556 CG GLN A 105 37.218 45.116 -40.228 1.00 11.23 C ATOM 1557 CD GLN A 105 37.935 44.583 -41.451 1.00 44.43 C ATOM 1558 OE1 GLN A 105 38.654 45.313 -42.131 1.00 42.45 O ATOM 1559 NE2 GLN A 105 37.738 43.308 -41.746 1.00 23.32 N ATOM 0 H GLN A 105 34.164 44.800 -38.386 1.00 51.35 H new ATOM 0 HA GLN A 105 35.778 47.176 -39.053 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.207 44.831 -40.895 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.918 46.357 -41.385 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.816 45.908 -39.776 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.129 44.321 -39.487 1.00 11.23 H new ATOM 0 HE21 GLN A 105 37.134 42.736 -41.156 1.00 23.32 H new ATOM 0 HE22 GLN A 105 38.190 42.898 -42.563 1.00 23.32 H new ATOM 1568 N THR A 106 33.738 48.128 -40.264 1.00 25.35 N ATOM 1569 CA THR A 106 32.492 48.707 -40.722 1.00 43.25 C ATOM 1570 C THR A 106 32.535 48.941 -42.235 1.00 44.11 C ATOM 1571 O THR A 106 33.050 49.949 -42.726 1.00 33.22 O ATOM 1572 CB THR A 106 32.141 50.006 -39.947 1.00 61.32 C ATOM 1573 OG1 THR A 106 30.922 50.573 -40.442 1.00 1.35 O ATOM 1574 CG2 THR A 106 33.259 51.037 -40.027 1.00 5.13 C ATOM 0 H THR A 106 34.541 48.755 -40.304 1.00 25.35 H new ATOM 0 HA THR A 106 31.693 47.996 -40.514 1.00 43.25 H new ATOM 0 HB THR A 106 32.013 49.730 -38.900 1.00 61.32 H new ATOM 0 HG1 THR A 106 30.714 51.390 -39.942 1.00 1.35 H new ATOM 0 HG21 THR A 106 32.971 51.930 -39.471 1.00 5.13 H new ATOM 0 HG22 THR A 106 34.170 50.620 -39.597 1.00 5.13 H new ATOM 0 HG23 THR A 106 33.437 51.300 -41.070 1.00 5.13 H new ATOM 1582 N SER A 107 32.024 47.968 -42.977 1.00 30.10 N ATOM 1583 CA SER A 107 31.993 48.052 -44.424 1.00 71.15 C ATOM 1584 C SER A 107 30.727 48.769 -44.860 1.00 42.21 C ATOM 1585 O SER A 107 29.615 48.274 -44.663 1.00 53.14 O ATOM 1586 CB SER A 107 32.066 46.657 -45.051 1.00 62.32 C ATOM 1587 OG SER A 107 32.164 46.741 -46.466 1.00 35.01 O ATOM 0 H SER A 107 31.625 47.110 -42.596 1.00 30.10 H new ATOM 0 HA SER A 107 32.861 48.616 -44.766 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.928 46.120 -44.654 1.00 62.32 H new ATOM 0 HB3 SER A 107 31.180 46.084 -44.777 1.00 62.32 H new ATOM 0 HG SER A 107 32.211 45.838 -46.845 1.00 35.01 H new ATOM 1593 N THR A 108 30.898 49.946 -45.429 1.00 61.34 N ATOM 1594 CA THR A 108 29.773 50.764 -45.821 1.00 45.01 C ATOM 1595 C THR A 108 29.550 50.710 -47.329 1.00 51.14 C ATOM 1596 O THR A 108 30.370 51.203 -48.107 1.00 24.12 O ATOM 1597 CB THR A 108 29.987 52.221 -45.384 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.257 52.268 -43.976 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.761 53.056 -45.695 1.00 12.31 C ATOM 0 H THR A 108 31.810 50.356 -45.630 1.00 61.34 H new ATOM 0 HA THR A 108 28.888 50.366 -45.325 1.00 45.01 H new ATOM 0 HB THR A 108 30.836 52.628 -45.933 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.422 52.426 -43.488 1.00 42.23 H new ATOM 0 HG21 THR A 108 28.932 54.085 -45.378 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.568 53.034 -46.768 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.900 52.651 -45.163 1.00 12.31 H new ATOM 1607 N ILE A 109 28.450 50.091 -47.734 1.00 13.34 N ATOM 1608 CA ILE A 109 28.097 50.005 -49.143 1.00 55.11 C ATOM 1609 C ILE A 109 26.905 50.911 -49.429 1.00 14.15 C ATOM 1610 O ILE A 109 25.787 50.638 -48.991 1.00 1.14 O ATOM 1611 CB ILE A 109 27.748 48.561 -49.590 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.906 47.588 -49.325 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.385 48.539 -51.067 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.980 47.089 -47.898 1.00 12.41 C ATOM 0 H ILE A 109 27.786 49.640 -47.105 1.00 13.34 H new ATOM 0 HA ILE A 109 28.973 50.323 -49.708 1.00 55.11 H new ATOM 0 HB ILE A 109 26.892 48.234 -49.000 1.00 61.20 H new ATOM 0 HG12 ILE A 109 28.807 46.732 -49.993 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.845 48.081 -49.575 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.142 47.520 -51.367 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.523 49.183 -51.239 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.230 48.899 -51.655 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.824 46.407 -47.794 1.00 12.41 H new ATOM 0 HD12 ILE A 109 29.111 47.935 -47.223 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.058 46.565 -47.648 1.00 12.41 H new ATOM 1626 N GLN A 110 27.146 51.996 -50.144 1.00 42.43 N ATOM 1627 CA GLN A 110 26.091 52.944 -50.465 1.00 3.53 C ATOM 1628 C GLN A 110 25.429 52.612 -51.792 1.00 10.22 C ATOM 1629 O GLN A 110 26.036 51.989 -52.667 1.00 61.10 O ATOM 1630 CB GLN A 110 26.638 54.369 -50.485 1.00 51.25 C ATOM 1631 CG GLN A 110 26.851 54.926 -49.093 1.00 2.41 C ATOM 1632 CD GLN A 110 27.614 56.235 -49.084 1.00 4.14 C ATOM 1633 OE1 GLN A 110 27.025 57.312 -49.132 1.00 23.33 O ATOM 1634 NE2 GLN A 110 28.931 56.146 -49.027 1.00 32.10 N ATOM 0 H GLN A 110 28.064 52.243 -50.514 1.00 42.43 H new ATOM 0 HA GLN A 110 25.332 52.870 -49.686 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.583 54.385 -51.028 1.00 51.25 H new ATOM 0 HB3 GLN A 110 25.947 55.013 -51.029 1.00 51.25 H new ATOM 0 HG2 GLN A 110 25.882 55.074 -48.616 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.392 54.193 -48.494 1.00 2.41 H new ATOM 0 HE21 GLN A 110 29.379 55.231 -48.988 1.00 32.10 H new ATOM 0 HE22 GLN A 110 29.500 56.993 -49.022 1.00 32.10 H new ATOM 1643 N VAL A 111 24.178 53.030 -51.918 1.00 22.34 N ATOM 1644 CA VAL A 111 23.387 52.784 -53.108 1.00 74.24 C ATOM 1645 C VAL A 111 24.091 53.287 -54.368 1.00 21.00 C ATOM 1646 O VAL A 111 24.282 54.489 -54.566 1.00 75.11 O ATOM 1647 CB VAL A 111 21.984 53.422 -52.983 1.00 73.33 C ATOM 1648 CG1 VAL A 111 22.071 54.901 -52.632 1.00 13.23 C ATOM 1649 CG2 VAL A 111 21.196 53.225 -54.261 1.00 44.35 C ATOM 0 H VAL A 111 23.684 53.551 -51.193 1.00 22.34 H new ATOM 0 HA VAL A 111 23.270 51.704 -53.199 1.00 74.24 H new ATOM 0 HB VAL A 111 21.463 52.919 -52.168 1.00 73.33 H new ATOM 0 HG11 VAL A 111 21.066 55.316 -52.552 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.589 55.019 -51.680 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.620 55.428 -53.412 1.00 13.23 H new ATOM 0 HG21 VAL A 111 20.211 53.680 -54.155 1.00 44.35 H new ATOM 0 HG22 VAL A 111 21.725 53.694 -55.091 1.00 44.35 H new ATOM 0 HG23 VAL A 111 21.084 52.159 -54.458 1.00 44.35 H new