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 69 ASN : amide:sc= -0.106 X(o=-6.1,f=-6.3) USER MOD Set 1.2: A 95 GLN : amide:sc= -0.445! K(o=-6.1!,f=-6.9) USER MOD Set 1.3: A 97 ASN : amide:sc= -5.54! C(o=-6.1!,f=-7.7!) USER MOD Set 2.1: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 102 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.05) USER MOD Set 3.1: A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 80 THR OG1 : rot 180:sc= -0.0908 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 55 THR OG1 : rot 75:sc= 0.31 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 59 GLN : amide:sc= -0.0685 K(o=-0.069,f=-0.85) USER MOD Single : A 60 SER OG : rot 69:sc= 1.29 USER MOD Single : A 61 GLN : amide:sc= 0.0312 X(o=0.031,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 89 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.013) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0016 F(o=-2!,f=-0.0016) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.448 K(o=-0.45,f=-1.3) 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 108 THR OG1 : rot 180:sc= -0.535 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 48.540 44.620 -42.732 1.00 65.21 N ATOM 660 CA GLU A 46 49.319 45.541 -41.926 1.00 41.54 C ATOM 661 C GLU A 46 50.498 46.106 -42.712 1.00 5.12 C ATOM 662 O GLU A 46 51.365 46.772 -42.146 1.00 43.23 O ATOM 663 CB GLU A 46 49.815 44.839 -40.664 1.00 55.55 C ATOM 664 CG GLU A 46 48.692 44.347 -39.767 1.00 14.53 C ATOM 665 CD GLU A 46 47.868 45.482 -39.191 1.00 0.14 C ATOM 666 OE1 GLU A 46 48.173 45.925 -38.066 1.00 65.32 O ATOM 667 OE2 GLU A 46 46.912 45.934 -39.855 1.00 5.55 O1- ATOM 0 HA GLU A 46 48.674 46.374 -41.645 1.00 41.54 H new ATOM 0 HB2 GLU A 46 50.439 43.992 -40.950 1.00 55.55 H new ATOM 0 HB3 GLU A 46 50.447 45.525 -40.100 1.00 55.55 H new ATOM 0 HG2 GLU A 46 48.042 43.683 -40.336 1.00 14.53 H new ATOM 0 HG3 GLU A 46 49.114 43.759 -38.952 1.00 14.53 H new ATOM 674 N THR A 47 50.532 45.837 -44.011 1.00 53.34 N ATOM 675 CA THR A 47 51.560 46.398 -44.876 1.00 11.21 C ATOM 676 C THR A 47 50.931 47.326 -45.914 1.00 2.33 C ATOM 677 O THR A 47 50.575 46.894 -47.010 1.00 31.14 O ATOM 678 CB THR A 47 52.364 45.305 -45.603 1.00 14.13 C ATOM 679 OG1 THR A 47 52.755 44.275 -44.685 1.00 60.32 O ATOM 680 CG2 THR A 47 53.607 45.897 -46.252 1.00 31.14 C ATOM 0 H THR A 47 49.861 45.235 -44.487 1.00 53.34 H new ATOM 0 HA THR A 47 52.243 46.958 -44.237 1.00 11.21 H new ATOM 0 HB THR A 47 51.726 44.876 -46.375 1.00 14.13 H new ATOM 0 HG1 THR A 47 53.264 43.587 -45.163 1.00 60.32 H new ATOM 0 HG21 THR A 47 54.162 45.109 -46.761 1.00 31.14 H new ATOM 0 HG22 THR A 47 53.313 46.658 -46.975 1.00 31.14 H new ATOM 0 HG23 THR A 47 54.238 46.348 -45.486 1.00 31.14 H new ATOM 688 N PRO A 48 50.737 48.606 -45.564 1.00 63.35 N ATOM 689 CA PRO A 48 50.147 49.577 -46.475 1.00 21.13 C ATOM 690 C PRO A 48 51.150 50.058 -47.523 1.00 23.22 C ATOM 691 O PRO A 48 51.817 51.080 -47.345 1.00 30.10 O ATOM 692 CB PRO A 48 49.723 50.714 -45.546 1.00 72.10 C ATOM 693 CG PRO A 48 50.678 50.649 -44.403 1.00 2.42 C ATOM 694 CD PRO A 48 51.077 49.203 -44.258 1.00 3.12 C ATOM 0 HA PRO A 48 49.320 49.164 -47.053 1.00 21.13 H new ATOM 0 HB2 PRO A 48 49.776 51.678 -46.051 1.00 72.10 H new ATOM 0 HB3 PRO A 48 48.694 50.587 -45.209 1.00 72.10 H new ATOM 0 HG2 PRO A 48 51.550 51.275 -44.591 1.00 2.42 H new ATOM 0 HG3 PRO A 48 50.213 51.016 -43.488 1.00 2.42 H new ATOM 0 HD2 PRO A 48 52.140 49.102 -44.038 1.00 3.12 H new ATOM 0 HD3 PRO A 48 50.536 48.719 -43.445 1.00 3.12 H new ATOM 702 N SER A 49 51.276 49.292 -48.599 1.00 1.52 N ATOM 703 CA SER A 49 52.190 49.632 -49.678 1.00 71.45 C ATOM 704 C SER A 49 51.531 50.575 -50.682 1.00 5.40 C ATOM 705 O SER A 49 51.739 51.785 -50.636 1.00 55.33 O ATOM 706 CB SER A 49 52.666 48.359 -50.380 1.00 4.01 C ATOM 707 OG SER A 49 53.169 47.429 -49.443 1.00 52.25 O ATOM 0 H SER A 49 50.754 48.428 -48.746 1.00 1.52 H new ATOM 0 HA SER A 49 53.049 50.147 -49.248 1.00 71.45 H new ATOM 0 HB2 SER A 49 51.840 47.913 -50.934 1.00 4.01 H new ATOM 0 HB3 SER A 49 53.441 48.606 -51.106 1.00 4.01 H new ATOM 0 HG SER A 49 53.467 46.621 -49.911 1.00 52.25 H new ATOM 713 N ALA A 50 50.722 50.025 -51.577 1.00 4.34 N ATOM 714 CA ALA A 50 50.083 50.831 -52.607 1.00 71.23 C ATOM 715 C ALA A 50 48.695 51.284 -52.175 1.00 52.43 C ATOM 716 O ALA A 50 48.289 52.415 -52.443 1.00 63.35 O ATOM 717 CB ALA A 50 50.008 50.054 -53.910 1.00 52.42 C ATOM 0 H ALA A 50 50.494 49.031 -51.611 1.00 4.34 H new ATOM 0 HA ALA A 50 50.690 51.723 -52.762 1.00 71.23 H new ATOM 0 HB1 ALA A 50 49.528 50.668 -54.672 1.00 52.42 H new ATOM 0 HB2 ALA A 50 51.015 49.792 -54.236 1.00 52.42 H new ATOM 0 HB3 ALA A 50 49.427 49.144 -53.758 1.00 52.42 H new ATOM 723 N LEU A 51 47.983 50.401 -51.483 1.00 14.24 N ATOM 724 CA LEU A 51 46.624 50.682 -51.012 1.00 65.24 C ATOM 725 C LEU A 51 46.621 51.781 -49.955 1.00 54.11 C ATOM 726 O LEU A 51 45.575 52.339 -49.632 1.00 73.42 O ATOM 727 CB LEU A 51 45.983 49.420 -50.418 1.00 34.13 C ATOM 728 CG LEU A 51 46.619 48.909 -49.114 1.00 14.14 C ATOM 729 CD1 LEU A 51 45.608 48.126 -48.299 1.00 42.24 C ATOM 730 CD2 LEU A 51 47.837 48.039 -49.399 1.00 32.32 C ATOM 0 H LEU A 51 48.326 49.474 -51.232 1.00 14.24 H new ATOM 0 HA LEU A 51 46.047 51.015 -51.875 1.00 65.24 H new ATOM 0 HB2 LEU A 51 44.928 49.621 -50.233 1.00 34.13 H new ATOM 0 HB3 LEU A 51 46.030 48.624 -51.162 1.00 34.13 H new ATOM 0 HG LEU A 51 46.942 49.778 -48.541 1.00 14.14 H new ATOM 0 HD11 LEU A 51 46.076 47.773 -47.380 1.00 42.24 H new ATOM 0 HD12 LEU A 51 44.764 48.769 -48.052 1.00 42.24 H new ATOM 0 HD13 LEU A 51 45.256 47.272 -48.878 1.00 42.24 H new ATOM 0 HD21 LEU A 51 48.265 47.693 -48.458 1.00 32.32 H new ATOM 0 HD22 LEU A 51 47.538 47.180 -50.000 1.00 32.32 H new ATOM 0 HD23 LEU A 51 48.581 48.621 -49.943 1.00 32.32 H new ATOM 742 N ASP A 52 47.804 52.085 -49.439 1.00 2.23 N ATOM 743 CA ASP A 52 47.978 53.041 -48.346 1.00 12.25 C ATOM 744 C ASP A 52 47.238 54.356 -48.595 1.00 34.31 C ATOM 745 O ASP A 52 46.441 54.791 -47.763 1.00 33.15 O ATOM 746 CB ASP A 52 49.467 53.308 -48.153 1.00 5.20 C ATOM 747 CG ASP A 52 49.751 54.399 -47.144 1.00 62.52 C ATOM 748 OD1 ASP A 52 49.881 55.570 -47.554 1.00 12.41 O ATOM 749 OD2 ASP A 52 49.875 54.086 -45.945 1.00 63.02 O1- ATOM 0 H ASP A 52 48.678 51.674 -49.767 1.00 2.23 H new ATOM 0 HA ASP A 52 47.549 52.603 -47.445 1.00 12.25 H new ATOM 0 HB2 ASP A 52 49.956 52.388 -47.831 1.00 5.20 H new ATOM 0 HB3 ASP A 52 49.907 53.585 -49.111 1.00 5.20 H new ATOM 754 N ASN A 53 47.491 54.971 -49.742 1.00 61.25 N ATOM 755 CA ASN A 53 46.868 56.252 -50.070 1.00 42.12 C ATOM 756 C ASN A 53 45.377 56.089 -50.350 1.00 63.01 C ATOM 757 O ASN A 53 44.582 56.993 -50.085 1.00 23.25 O ATOM 758 CB ASN A 53 47.551 56.891 -51.279 1.00 44.53 C ATOM 759 CG ASN A 53 48.785 57.701 -50.915 1.00 73.01 C ATOM 760 OD1 ASN A 53 49.129 58.661 -51.606 1.00 72.42 O ATOM 761 ND2 ASN A 53 49.460 57.332 -49.834 1.00 31.23 N ATOM 0 H ASN A 53 48.119 54.609 -50.459 1.00 61.25 H new ATOM 0 HA ASN A 53 46.988 56.904 -49.205 1.00 42.12 H new ATOM 0 HB2 ASN A 53 47.833 56.109 -51.983 1.00 44.53 H new ATOM 0 HB3 ASN A 53 46.838 57.538 -51.790 1.00 44.53 H new ATOM 0 HD21 ASN A 53 50.293 57.849 -49.552 1.00 31.23 H new ATOM 0 HD22 ASN A 53 49.146 56.532 -49.285 1.00 31.23 H new ATOM 768 N PHE A 54 45.004 54.932 -50.877 1.00 22.14 N ATOM 769 CA PHE A 54 43.613 54.656 -51.222 1.00 43.23 C ATOM 770 C PHE A 54 42.757 54.574 -49.959 1.00 0.30 C ATOM 771 O PHE A 54 41.670 55.148 -49.897 1.00 51.31 O ATOM 772 CB PHE A 54 43.525 53.350 -52.020 1.00 64.13 C ATOM 773 CG PHE A 54 42.146 53.026 -52.521 1.00 32.43 C ATOM 774 CD1 PHE A 54 41.443 51.949 -52.009 1.00 20.25 C ATOM 775 CD2 PHE A 54 41.556 53.802 -53.503 1.00 52.44 C ATOM 776 CE1 PHE A 54 40.174 51.651 -52.466 1.00 74.25 C ATOM 777 CE2 PHE A 54 40.287 53.510 -53.967 1.00 41.13 C ATOM 778 CZ PHE A 54 39.595 52.432 -53.447 1.00 1.54 C ATOM 0 H PHE A 54 45.646 54.165 -51.076 1.00 22.14 H new ATOM 0 HA PHE A 54 43.232 55.470 -51.838 1.00 43.23 H new ATOM 0 HB2 PHE A 54 44.204 53.411 -52.871 1.00 64.13 H new ATOM 0 HB3 PHE A 54 43.873 52.530 -51.392 1.00 64.13 H new ATOM 0 HD1 PHE A 54 41.892 51.334 -51.243 1.00 20.25 H new ATOM 0 HD2 PHE A 54 42.093 54.645 -53.912 1.00 52.44 H new ATOM 0 HE1 PHE A 54 39.636 50.809 -52.057 1.00 74.25 H new ATOM 0 HE2 PHE A 54 39.837 54.123 -54.734 1.00 41.13 H new ATOM 0 HZ PHE A 54 38.603 52.201 -53.807 1.00 1.54 H new ATOM 788 N THR A 55 43.272 53.873 -48.956 1.00 75.41 N ATOM 789 CA THR A 55 42.599 53.731 -47.669 1.00 62.12 C ATOM 790 C THR A 55 42.273 55.094 -47.051 1.00 21.25 C ATOM 791 O THR A 55 41.210 55.293 -46.455 1.00 1.24 O ATOM 792 CB THR A 55 43.493 52.934 -46.699 1.00 4.21 C ATOM 793 OG1 THR A 55 43.789 51.651 -47.258 1.00 21.43 O ATOM 794 CG2 THR A 55 42.835 52.762 -45.340 1.00 4.31 C ATOM 0 H THR A 55 44.167 53.387 -49.011 1.00 75.41 H new ATOM 0 HA THR A 55 41.663 53.200 -47.840 1.00 62.12 H new ATOM 0 HB THR A 55 44.415 53.498 -46.555 1.00 4.21 H new ATOM 0 HG1 THR A 55 44.454 51.750 -47.971 1.00 21.43 H new ATOM 0 HG21 THR A 55 43.496 52.195 -44.685 1.00 4.31 H new ATOM 0 HG22 THR A 55 42.643 53.742 -44.902 1.00 4.31 H new ATOM 0 HG23 THR A 55 41.893 52.226 -45.457 1.00 4.31 H new ATOM 802 N GLN A 56 43.178 56.039 -47.233 1.00 32.54 N ATOM 803 CA GLN A 56 43.059 57.348 -46.607 1.00 40.22 C ATOM 804 C GLN A 56 42.095 58.232 -47.384 1.00 42.31 C ATOM 805 O GLN A 56 41.394 59.063 -46.806 1.00 33.50 O ATOM 806 CB GLN A 56 44.435 58.000 -46.498 1.00 24.31 C ATOM 807 CG GLN A 56 45.369 57.245 -45.568 1.00 3.12 C ATOM 808 CD GLN A 56 46.802 57.722 -45.649 1.00 23.51 C ATOM 809 OE1 GLN A 56 47.067 58.887 -45.939 1.00 22.43 O ATOM 810 NE2 GLN A 56 47.732 56.819 -45.395 1.00 51.20 N ATOM 0 H GLN A 56 44.009 55.925 -47.813 1.00 32.54 H new ATOM 0 HA GLN A 56 42.655 57.222 -45.602 1.00 40.22 H new ATOM 0 HB2 GLN A 56 44.885 58.058 -47.489 1.00 24.31 H new ATOM 0 HB3 GLN A 56 44.321 59.023 -46.139 1.00 24.31 H new ATOM 0 HG2 GLN A 56 45.015 57.351 -44.543 1.00 3.12 H new ATOM 0 HG3 GLN A 56 45.332 56.183 -45.810 1.00 3.12 H new ATOM 0 HE21 GLN A 56 47.464 55.864 -45.158 1.00 51.20 H new ATOM 0 HE22 GLN A 56 48.718 57.077 -45.435 1.00 51.20 H new ATOM 819 N ALA A 57 42.046 58.029 -48.694 1.00 43.12 N ATOM 820 CA ALA A 57 41.103 58.742 -49.545 1.00 74.22 C ATOM 821 C ALA A 57 39.672 58.373 -49.172 1.00 13.44 C ATOM 822 O ALA A 57 38.737 59.143 -49.393 1.00 44.41 O ATOM 823 CB ALA A 57 41.370 58.427 -51.010 1.00 32.32 C ATOM 0 H ALA A 57 42.650 57.375 -49.191 1.00 43.12 H new ATOM 0 HA ALA A 57 41.235 59.813 -49.393 1.00 74.22 H new ATOM 0 HB1 ALA A 57 40.658 58.967 -51.634 1.00 32.32 H new ATOM 0 HB2 ALA A 57 42.384 58.733 -51.269 1.00 32.32 H new ATOM 0 HB3 ALA A 57 41.260 57.356 -51.178 1.00 32.32 H new ATOM 829 N ILE A 58 39.509 57.191 -48.594 1.00 52.41 N ATOM 830 CA ILE A 58 38.198 56.729 -48.178 1.00 43.42 C ATOM 831 C ILE A 58 37.862 57.230 -46.779 1.00 42.32 C ATOM 832 O ILE A 58 36.763 57.719 -46.541 1.00 2.22 O ATOM 833 CB ILE A 58 38.090 55.195 -48.212 1.00 4.31 C ATOM 834 CG1 ILE A 58 38.623 54.668 -49.546 1.00 33.32 C ATOM 835 CG2 ILE A 58 36.644 54.767 -47.992 1.00 22.11 C ATOM 836 CD1 ILE A 58 38.079 53.312 -49.935 1.00 75.03 C ATOM 0 H ILE A 58 40.269 56.538 -48.404 1.00 52.41 H new ATOM 0 HA ILE A 58 37.482 57.138 -48.890 1.00 43.42 H new ATOM 0 HB ILE A 58 38.694 54.772 -47.409 1.00 4.31 H new ATOM 0 HG12 ILE A 58 38.380 55.384 -50.331 1.00 33.32 H new ATOM 0 HG13 ILE A 58 39.710 54.610 -49.493 1.00 33.32 H new ATOM 0 HG21 ILE A 58 36.579 53.679 -48.018 1.00 22.11 H new ATOM 0 HG22 ILE A 58 36.301 55.128 -47.022 1.00 22.11 H new ATOM 0 HG23 ILE A 58 36.017 55.187 -48.778 1.00 22.11 H new ATOM 0 HD11 ILE A 58 38.505 53.010 -50.892 1.00 75.03 H new ATOM 0 HD12 ILE A 58 38.345 52.581 -49.172 1.00 75.03 H new ATOM 0 HD13 ILE A 58 36.994 53.367 -50.022 1.00 75.03 H new ATOM 848 N GLN A 59 38.808 57.127 -45.856 1.00 20.32 N ATOM 849 CA GLN A 59 38.581 57.592 -44.488 1.00 43.14 C ATOM 850 C GLN A 59 38.238 59.080 -44.458 1.00 30.01 C ATOM 851 O GLN A 59 37.480 59.534 -43.602 1.00 22.32 O ATOM 852 CB GLN A 59 39.800 57.306 -43.610 1.00 0.24 C ATOM 853 CG GLN A 59 39.991 55.829 -43.310 1.00 33.03 C ATOM 854 CD GLN A 59 41.148 55.565 -42.368 1.00 32.54 C ATOM 855 OE1 GLN A 59 41.488 56.405 -41.533 1.00 24.13 O ATOM 856 NE2 GLN A 59 41.749 54.390 -42.483 1.00 51.23 N ATOM 0 H GLN A 59 39.733 56.730 -46.023 1.00 20.32 H new ATOM 0 HA GLN A 59 37.729 57.042 -44.088 1.00 43.14 H new ATOM 0 HB2 GLN A 59 40.693 57.688 -44.105 1.00 0.24 H new ATOM 0 HB3 GLN A 59 39.699 57.850 -42.671 1.00 0.24 H new ATOM 0 HG2 GLN A 59 39.075 55.430 -42.874 1.00 33.03 H new ATOM 0 HG3 GLN A 59 40.159 55.292 -44.244 1.00 33.03 H new ATOM 0 HE21 GLN A 59 41.435 53.724 -43.189 1.00 51.23 H new ATOM 0 HE22 GLN A 59 42.525 54.152 -41.866 1.00 51.23 H new ATOM 865 N SER A 60 38.772 59.827 -45.416 1.00 51.04 N ATOM 866 CA SER A 60 38.492 61.252 -45.521 1.00 11.41 C ATOM 867 C SER A 60 37.023 61.502 -45.878 1.00 54.31 C ATOM 868 O SER A 60 36.403 62.432 -45.365 1.00 71.15 O ATOM 869 CB SER A 60 39.407 61.887 -46.569 1.00 73.34 C ATOM 870 OG SER A 60 40.773 61.658 -46.260 1.00 3.51 O ATOM 0 H SER A 60 39.403 59.468 -46.133 1.00 51.04 H new ATOM 0 HA SER A 60 38.685 61.711 -44.551 1.00 11.41 H new ATOM 0 HB2 SER A 60 39.179 61.476 -47.552 1.00 73.34 H new ATOM 0 HB3 SER A 60 39.217 62.959 -46.620 1.00 73.34 H new ATOM 0 HG SER A 60 40.980 60.707 -46.377 1.00 3.51 H new ATOM 876 N GLN A 61 36.460 60.659 -46.740 1.00 30.10 N ATOM 877 CA GLN A 61 35.073 60.836 -47.169 1.00 24.42 C ATOM 878 C GLN A 61 34.105 60.229 -46.153 1.00 14.32 C ATOM 879 O GLN A 61 32.934 60.609 -46.092 1.00 1.12 O ATOM 880 CB GLN A 61 34.847 60.247 -48.570 1.00 64.21 C ATOM 881 CG GLN A 61 35.016 58.741 -48.656 1.00 32.32 C ATOM 882 CD GLN A 61 34.859 58.224 -50.070 1.00 64.01 C ATOM 883 OE1 GLN A 61 33.760 57.869 -50.500 1.00 52.54 O ATOM 884 NE2 GLN A 61 35.958 58.183 -50.804 1.00 61.52 N ATOM 0 H GLN A 61 36.935 59.856 -47.152 1.00 30.10 H new ATOM 0 HA GLN A 61 34.873 61.906 -47.224 1.00 24.42 H new ATOM 0 HB2 GLN A 61 33.841 60.506 -48.901 1.00 64.21 H new ATOM 0 HB3 GLN A 61 35.543 60.718 -49.265 1.00 64.21 H new ATOM 0 HG2 GLN A 61 36.001 58.466 -48.279 1.00 32.32 H new ATOM 0 HG3 GLN A 61 34.282 58.258 -48.011 1.00 32.32 H new ATOM 0 HE21 GLN A 61 36.847 58.487 -50.408 1.00 61.52 H new ATOM 0 HE22 GLN A 61 35.916 57.848 -51.766 1.00 61.52 H new ATOM 893 N ILE A 62 34.610 59.310 -45.335 1.00 25.21 N ATOM 894 CA ILE A 62 33.805 58.696 -44.285 1.00 60.23 C ATOM 895 C ILE A 62 33.438 59.739 -43.236 1.00 4.22 C ATOM 896 O ILE A 62 32.367 59.681 -42.632 1.00 73.53 O ATOM 897 CB ILE A 62 34.543 57.513 -43.610 1.00 31.41 C ATOM 898 CG1 ILE A 62 34.783 56.392 -44.622 1.00 75.12 C ATOM 899 CG2 ILE A 62 33.748 56.988 -42.415 1.00 11.33 C ATOM 900 CD1 ILE A 62 35.591 55.236 -44.069 1.00 54.33 C ATOM 0 H ILE A 62 35.572 58.975 -45.379 1.00 25.21 H new ATOM 0 HA ILE A 62 32.900 58.304 -44.749 1.00 60.23 H new ATOM 0 HB ILE A 62 35.506 57.872 -43.248 1.00 31.41 H new ATOM 0 HG12 ILE A 62 33.821 56.017 -44.971 1.00 75.12 H new ATOM 0 HG13 ILE A 62 35.299 56.802 -45.490 1.00 75.12 H new ATOM 0 HG21 ILE A 62 34.285 56.158 -41.957 1.00 11.33 H new ATOM 0 HG22 ILE A 62 33.621 57.786 -41.683 1.00 11.33 H new ATOM 0 HG23 ILE A 62 32.769 56.645 -42.751 1.00 11.33 H new ATOM 0 HD11 ILE A 62 35.721 54.480 -44.843 1.00 54.33 H new ATOM 0 HD12 ILE A 62 36.568 55.596 -43.746 1.00 54.33 H new ATOM 0 HD13 ILE A 62 35.067 54.799 -43.219 1.00 54.33 H new ATOM 912 N LEU A 63 34.327 60.712 -43.053 1.00 64.35 N ATOM 913 CA LEU A 63 34.108 61.804 -42.109 1.00 53.53 C ATOM 914 C LEU A 63 32.822 62.559 -42.437 1.00 34.31 C ATOM 915 O LEU A 63 32.137 63.060 -41.543 1.00 74.53 O ATOM 916 CB LEU A 63 35.300 62.766 -42.134 1.00 24.15 C ATOM 917 CG LEU A 63 36.649 62.145 -41.760 1.00 14.34 C ATOM 918 CD1 LEU A 63 37.764 63.171 -41.892 1.00 52.54 C ATOM 919 CD2 LEU A 63 36.605 61.585 -40.345 1.00 61.01 C ATOM 0 H LEU A 63 35.215 60.766 -43.552 1.00 64.35 H new ATOM 0 HA LEU A 63 34.010 61.378 -41.110 1.00 53.53 H new ATOM 0 HB2 LEU A 63 35.380 63.194 -43.133 1.00 24.15 H new ATOM 0 HB3 LEU A 63 35.096 63.590 -41.450 1.00 24.15 H new ATOM 0 HG LEU A 63 36.852 61.325 -42.449 1.00 14.34 H new ATOM 0 HD11 LEU A 63 38.715 62.712 -41.622 1.00 52.54 H new ATOM 0 HD12 LEU A 63 37.812 63.526 -42.921 1.00 52.54 H new ATOM 0 HD13 LEU A 63 37.566 64.012 -41.227 1.00 52.54 H new ATOM 0 HD21 LEU A 63 37.572 61.148 -40.097 1.00 61.01 H new ATOM 0 HD22 LEU A 63 36.378 62.387 -39.643 1.00 61.01 H new ATOM 0 HD23 LEU A 63 35.833 60.818 -40.281 1.00 61.01 H new ATOM 931 N GLY A 64 32.500 62.635 -43.723 1.00 54.14 N ATOM 932 CA GLY A 64 31.267 63.270 -44.148 1.00 43.53 C ATOM 933 C GLY A 64 30.064 62.398 -43.862 1.00 42.50 C ATOM 934 O GLY A 64 29.026 62.882 -43.420 1.00 45.41 O ATOM 0 H GLY A 64 33.074 62.266 -44.482 1.00 54.14 H new ATOM 0 HA2 GLY A 64 31.154 64.226 -43.636 1.00 43.53 H new ATOM 0 HA3 GLY A 64 31.316 63.484 -45.216 1.00 43.53 H new ATOM 938 N GLY A 65 30.216 61.098 -44.096 1.00 25.24 N ATOM 939 CA GLY A 65 29.142 60.158 -43.823 1.00 5.50 C ATOM 940 C GLY A 65 28.795 60.094 -42.349 1.00 33.53 C ATOM 941 O GLY A 65 27.666 59.769 -41.975 1.00 11.34 O ATOM 0 H GLY A 65 31.066 60.677 -44.471 1.00 25.24 H new ATOM 0 HA2 GLY A 65 28.257 60.446 -44.390 1.00 5.50 H new ATOM 0 HA3 GLY A 65 29.433 59.166 -44.169 1.00 5.50 H new ATOM 945 N LEU A 66 29.770 60.419 -41.510 1.00 53.33 N ATOM 946 CA LEU A 66 29.571 60.434 -40.067 1.00 72.23 C ATOM 947 C LEU A 66 28.587 61.529 -39.664 1.00 34.12 C ATOM 948 O LEU A 66 28.017 61.490 -38.580 1.00 33.03 O ATOM 949 CB LEU A 66 30.903 60.631 -39.342 1.00 31.31 C ATOM 950 CG LEU A 66 31.921 59.504 -39.521 1.00 64.21 C ATOM 951 CD1 LEU A 66 33.210 59.834 -38.783 1.00 22.03 C ATOM 952 CD2 LEU A 66 31.347 58.181 -39.027 1.00 65.03 C ATOM 0 H LEU A 66 30.711 60.677 -41.806 1.00 53.33 H new ATOM 0 HA LEU A 66 29.153 59.470 -39.776 1.00 72.23 H new ATOM 0 HB2 LEU A 66 31.352 61.562 -39.689 1.00 31.31 H new ATOM 0 HB3 LEU A 66 30.703 60.751 -38.277 1.00 31.31 H new ATOM 0 HG LEU A 66 32.145 59.405 -40.583 1.00 64.21 H new ATOM 0 HD11 LEU A 66 33.925 59.023 -38.919 1.00 22.03 H new ATOM 0 HD12 LEU A 66 33.630 60.758 -39.180 1.00 22.03 H new ATOM 0 HD13 LEU A 66 33.000 59.957 -37.721 1.00 22.03 H new ATOM 0 HD21 LEU A 66 32.085 57.391 -39.162 1.00 65.03 H new ATOM 0 HD22 LEU A 66 31.096 58.266 -37.970 1.00 65.03 H new ATOM 0 HD23 LEU A 66 30.449 57.939 -39.595 1.00 65.03 H new ATOM 964 N LEU A 67 28.374 62.493 -40.552 1.00 53.21 N ATOM 965 CA LEU A 67 27.434 63.580 -40.294 1.00 64.45 C ATOM 966 C LEU A 67 26.016 63.167 -40.684 1.00 60.43 C ATOM 967 O LEU A 67 25.089 63.975 -40.656 1.00 44.24 O ATOM 968 CB LEU A 67 27.849 64.838 -41.064 1.00 51.43 C ATOM 969 CG LEU A 67 29.227 65.396 -40.704 1.00 3.00 C ATOM 970 CD1 LEU A 67 29.553 66.608 -41.563 1.00 70.32 C ATOM 971 CD2 LEU A 67 29.282 65.761 -39.228 1.00 22.21 C ATOM 0 H LEU A 67 28.839 62.545 -41.458 1.00 53.21 H new ATOM 0 HA LEU A 67 27.450 63.801 -39.227 1.00 64.45 H new ATOM 0 HB2 LEU A 67 27.833 64.614 -42.131 1.00 51.43 H new ATOM 0 HB3 LEU A 67 27.103 65.614 -40.890 1.00 51.43 H new ATOM 0 HG LEU A 67 29.973 64.625 -40.899 1.00 3.00 H new ATOM 0 HD11 LEU A 67 30.537 66.991 -41.293 1.00 70.32 H new ATOM 0 HD12 LEU A 67 29.552 66.320 -42.614 1.00 70.32 H new ATOM 0 HD13 LEU A 67 28.804 67.383 -41.398 1.00 70.32 H new ATOM 0 HD21 LEU A 67 30.269 66.157 -38.988 1.00 22.21 H new ATOM 0 HD22 LEU A 67 28.526 66.516 -39.011 1.00 22.21 H new ATOM 0 HD23 LEU A 67 29.091 64.873 -38.626 1.00 22.21 H new ATOM 983 N SER A 68 25.861 61.903 -41.055 1.00 40.32 N ATOM 984 CA SER A 68 24.563 61.363 -41.434 1.00 11.31 C ATOM 985 C SER A 68 24.241 60.112 -40.615 1.00 75.02 C ATOM 986 O SER A 68 23.124 59.944 -40.122 1.00 75.11 O ATOM 987 CB SER A 68 24.553 61.039 -42.935 1.00 0.14 C ATOM 988 OG SER A 68 23.317 60.473 -43.339 1.00 4.11 O ATOM 0 H SER A 68 26.625 61.228 -41.101 1.00 40.32 H new ATOM 0 HA SER A 68 23.797 62.110 -41.228 1.00 11.31 H new ATOM 0 HB2 SER A 68 24.741 61.949 -43.505 1.00 0.14 H new ATOM 0 HB3 SER A 68 25.363 60.346 -43.164 1.00 0.14 H new ATOM 0 HG SER A 68 23.344 60.280 -44.299 1.00 4.11 H new ATOM 994 N ASN A 69 25.242 59.257 -40.436 1.00 22.22 N ATOM 995 CA ASN A 69 25.043 57.958 -39.793 1.00 3.21 C ATOM 996 C ASN A 69 24.888 58.068 -38.279 1.00 33.23 C ATOM 997 O ASN A 69 24.814 57.058 -37.581 1.00 41.32 O ATOM 998 CB ASN A 69 26.206 57.023 -40.124 1.00 53.44 C ATOM 999 CG ASN A 69 26.298 56.713 -41.603 1.00 25.14 C ATOM 1000 OD1 ASN A 69 25.294 56.712 -42.314 1.00 41.35 O ATOM 1001 ND2 ASN A 69 27.508 56.455 -42.079 1.00 2.13 N ATOM 0 H ASN A 69 26.203 59.438 -40.727 1.00 22.22 H new ATOM 0 HA ASN A 69 24.112 57.550 -40.187 1.00 3.21 H new ATOM 0 HB2 ASN A 69 27.139 57.478 -39.793 1.00 53.44 H new ATOM 0 HB3 ASN A 69 26.090 56.093 -39.568 1.00 53.44 H new ATOM 0 HD21 ASN A 69 27.632 56.245 -43.069 1.00 2.13 H new ATOM 0 HD22 ASN A 69 28.315 56.466 -41.455 1.00 2.13 H new ATOM 1008 N ILE A 70 24.841 59.285 -37.764 1.00 71.41 N ATOM 1009 CA ILE A 70 24.609 59.495 -36.342 1.00 54.25 C ATOM 1010 C ILE A 70 23.143 59.855 -36.108 1.00 15.54 C ATOM 1011 O ILE A 70 22.636 59.805 -34.986 1.00 23.53 O ATOM 1012 CB ILE A 70 25.537 60.600 -35.775 1.00 3.10 C ATOM 1013 CG1 ILE A 70 27.006 60.240 -36.025 1.00 23.53 C ATOM 1014 CG2 ILE A 70 25.303 60.813 -34.284 1.00 12.32 C ATOM 1015 CD1 ILE A 70 27.445 58.950 -35.359 1.00 42.43 C ATOM 0 H ILE A 70 24.960 60.141 -38.306 1.00 71.41 H new ATOM 0 HA ILE A 70 24.841 58.569 -35.815 1.00 54.25 H new ATOM 0 HB ILE A 70 25.300 61.530 -36.292 1.00 3.10 H new ATOM 0 HG12 ILE A 70 27.172 60.157 -37.099 1.00 23.53 H new ATOM 0 HG13 ILE A 70 27.635 61.055 -35.667 1.00 23.53 H new ATOM 0 HG21 ILE A 70 25.970 61.594 -33.919 1.00 12.32 H new ATOM 0 HG22 ILE A 70 24.268 61.112 -34.117 1.00 12.32 H new ATOM 0 HG23 ILE A 70 25.503 59.885 -33.748 1.00 12.32 H new ATOM 0 HD11 ILE A 70 28.495 58.764 -35.583 1.00 42.43 H new ATOM 0 HD12 ILE A 70 27.313 59.034 -34.280 1.00 42.43 H new ATOM 0 HD13 ILE A 70 26.842 58.123 -35.735 1.00 42.43 H new ATOM 1129 N MET A 78 18.397 45.236 -40.127 1.00 12.00 N ATOM 1130 CA MET A 78 18.478 43.796 -40.318 1.00 2.03 C ATOM 1131 C MET A 78 19.338 43.162 -39.232 1.00 70.13 C ATOM 1132 O MET A 78 20.537 43.430 -39.142 1.00 44.34 O ATOM 1133 CB MET A 78 19.047 43.473 -41.701 1.00 63.14 C ATOM 1134 CG MET A 78 19.185 41.982 -41.971 1.00 52.15 C ATOM 1135 SD MET A 78 19.833 41.626 -43.615 1.00 73.31 S ATOM 1136 CE MET A 78 19.871 39.835 -43.577 1.00 35.54 C ATOM 0 HA MET A 78 17.472 43.382 -40.250 1.00 2.03 H new ATOM 0 HB2 MET A 78 18.402 43.913 -42.462 1.00 63.14 H new ATOM 0 HB3 MET A 78 20.025 43.944 -41.801 1.00 63.14 H new ATOM 0 HG2 MET A 78 19.844 41.542 -41.223 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.211 41.505 -41.858 1.00 52.15 H new ATOM 0 HE1 MET A 78 20.250 39.459 -44.527 1.00 35.54 H new ATOM 0 HE2 MET A 78 20.522 39.502 -42.769 1.00 35.54 H new ATOM 0 HE3 MET A 78 18.864 39.453 -43.412 1.00 35.54 H new ATOM 1146 N VAL A 79 18.721 42.325 -38.411 1.00 63.22 N ATOM 1147 CA VAL A 79 19.426 41.673 -37.319 1.00 53.31 C ATOM 1148 C VAL A 79 20.109 40.400 -37.803 1.00 34.33 C ATOM 1149 O VAL A 79 19.482 39.345 -37.936 1.00 23.05 O ATOM 1150 CB VAL A 79 18.480 41.345 -36.140 1.00 51.15 C ATOM 1151 CG1 VAL A 79 19.249 40.714 -34.991 1.00 62.34 C ATOM 1152 CG2 VAL A 79 17.753 42.593 -35.672 1.00 20.14 C ATOM 0 H VAL A 79 17.733 42.082 -38.481 1.00 63.22 H new ATOM 0 HA VAL A 79 20.182 42.372 -36.962 1.00 53.31 H new ATOM 0 HB VAL A 79 17.739 40.627 -36.491 1.00 51.15 H new ATOM 0 HG11 VAL A 79 18.564 40.492 -34.173 1.00 62.34 H new ATOM 0 HG12 VAL A 79 19.719 39.791 -35.331 1.00 62.34 H new ATOM 0 HG13 VAL A 79 20.016 41.406 -34.644 1.00 62.34 H new ATOM 0 HG21 VAL A 79 17.093 42.340 -34.842 1.00 20.14 H new ATOM 0 HG22 VAL A 79 18.480 43.336 -35.344 1.00 20.14 H new ATOM 0 HG23 VAL A 79 17.164 43.000 -36.493 1.00 20.14 H new ATOM 1162 N THR A 80 21.392 40.523 -38.094 1.00 24.24 N ATOM 1163 CA THR A 80 22.199 39.396 -38.522 1.00 43.31 C ATOM 1164 C THR A 80 23.248 39.103 -37.448 1.00 22.22 C ATOM 1165 O THR A 80 23.691 40.013 -36.747 1.00 20.53 O ATOM 1166 CB THR A 80 22.875 39.692 -39.877 1.00 4.42 C ATOM 1167 OG1 THR A 80 21.920 40.285 -40.766 1.00 23.43 O ATOM 1168 CG2 THR A 80 23.427 38.423 -40.511 1.00 23.11 C ATOM 0 H THR A 80 21.902 41.405 -38.040 1.00 24.24 H new ATOM 0 HA THR A 80 21.561 38.522 -38.656 1.00 43.31 H new ATOM 0 HB THR A 80 23.705 40.376 -39.700 1.00 4.42 H new ATOM 0 HG1 THR A 80 22.348 40.475 -41.627 1.00 23.43 H new ATOM 0 HG21 THR A 80 23.896 38.667 -41.464 1.00 23.11 H new ATOM 0 HG22 THR A 80 24.166 37.976 -39.846 1.00 23.11 H new ATOM 0 HG23 THR A 80 22.614 37.716 -40.677 1.00 23.11 H new ATOM 1176 N ASN A 81 23.628 37.840 -37.310 1.00 12.13 N ATOM 1177 CA ASN A 81 24.464 37.413 -36.192 1.00 13.33 C ATOM 1178 C ASN A 81 25.908 37.876 -36.349 1.00 53.52 C ATOM 1179 O ASN A 81 26.422 38.616 -35.510 1.00 72.31 O ATOM 1180 CB ASN A 81 24.413 35.889 -36.036 1.00 31.34 C ATOM 1181 CG ASN A 81 23.014 35.389 -35.725 1.00 23.22 C ATOM 1182 OD1 ASN A 81 22.219 36.081 -35.086 1.00 55.05 O ATOM 1183 ND2 ASN A 81 22.700 34.186 -36.177 1.00 51.02 N ATOM 0 H ASN A 81 23.372 37.093 -37.956 1.00 12.13 H new ATOM 0 HA ASN A 81 24.064 37.880 -35.292 1.00 13.33 H new ATOM 0 HB2 ASN A 81 24.769 35.420 -36.953 1.00 31.34 H new ATOM 0 HB3 ASN A 81 25.091 35.585 -35.239 1.00 31.34 H new ATOM 0 HD21 ASN A 81 21.772 33.801 -36.000 1.00 51.02 H new ATOM 0 HD22 ASN A 81 23.386 33.644 -36.702 1.00 51.02 H new ATOM 1190 N ASP A 82 26.556 37.455 -37.427 1.00 32.11 N ATOM 1191 CA ASP A 82 27.976 37.744 -37.621 1.00 24.13 C ATOM 1192 C ASP A 82 28.186 39.131 -38.206 1.00 61.51 C ATOM 1193 O ASP A 82 29.302 39.650 -38.212 1.00 75.51 O ATOM 1194 CB ASP A 82 28.623 36.711 -38.543 1.00 23.52 C ATOM 1195 CG ASP A 82 28.513 35.302 -38.012 1.00 72.21 C ATOM 1196 OD1 ASP A 82 27.709 34.523 -38.564 1.00 63.25 O ATOM 1197 OD2 ASP A 82 29.223 34.966 -37.046 1.00 30.43 O1- ATOM 0 H ASP A 82 26.127 36.915 -38.178 1.00 32.11 H new ATOM 0 HA ASP A 82 28.446 37.699 -36.639 1.00 24.13 H new ATOM 0 HB2 ASP A 82 28.153 36.762 -39.525 1.00 23.52 H new ATOM 0 HB3 ASP A 82 29.675 36.962 -38.680 1.00 23.52 H new ATOM 1202 N TYR A 83 27.119 39.722 -38.708 1.00 2.10 N ATOM 1203 CA TYR A 83 27.198 41.030 -39.338 1.00 61.22 C ATOM 1204 C TYR A 83 26.076 41.928 -38.842 1.00 25.13 C ATOM 1205 O TYR A 83 24.902 41.593 -38.973 1.00 35.42 O ATOM 1206 CB TYR A 83 27.132 40.902 -40.867 1.00 22.35 C ATOM 1207 CG TYR A 83 28.381 40.314 -41.495 1.00 63.34 C ATOM 1208 CD1 TYR A 83 29.317 41.133 -42.115 1.00 54.31 C ATOM 1209 CD2 TYR A 83 28.630 38.948 -41.456 1.00 61.31 C ATOM 1210 CE1 TYR A 83 30.466 40.607 -42.680 1.00 54.50 C ATOM 1211 CE2 TYR A 83 29.774 38.414 -42.020 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.690 39.246 -42.629 1.00 0.23 C ATOM 1213 OH TYR A 83 31.833 38.713 -43.186 1.00 35.22 O ATOM 0 H TYR A 83 26.183 39.317 -38.693 1.00 2.10 H new ATOM 0 HA TYR A 83 28.154 41.479 -39.068 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.278 40.279 -41.132 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.953 41.888 -41.296 1.00 22.35 H new ATOM 0 HD1 TYR A 83 29.145 42.198 -42.157 1.00 54.31 H new ATOM 0 HD2 TYR A 83 27.918 38.292 -40.977 1.00 61.31 H new ATOM 0 HE1 TYR A 83 31.183 41.258 -43.158 1.00 54.50 H new ATOM 0 HE2 TYR A 83 29.950 37.349 -41.984 1.00 43.02 H new ATOM 0 HH TYR A 83 31.835 37.741 -43.062 1.00 35.22 H new ATOM 1223 N ILE A 84 26.435 43.058 -38.257 1.00 71.04 N ATOM 1224 CA ILE A 84 25.445 44.036 -37.837 1.00 33.43 C ATOM 1225 C ILE A 84 25.043 44.883 -39.035 1.00 24.33 C ATOM 1226 O ILE A 84 25.788 45.758 -39.477 1.00 13.30 O ATOM 1227 CB ILE A 84 25.949 44.944 -36.681 1.00 35.11 C ATOM 1228 CG1 ILE A 84 26.110 44.151 -35.373 1.00 70.51 C ATOM 1229 CG2 ILE A 84 25.000 46.119 -36.459 1.00 63.41 C ATOM 1230 CD1 ILE A 84 27.299 43.210 -35.345 1.00 21.15 C ATOM 0 H ILE A 84 27.401 43.321 -38.062 1.00 71.04 H new ATOM 0 HA ILE A 84 24.583 43.492 -37.450 1.00 33.43 H new ATOM 0 HB ILE A 84 26.926 45.328 -36.974 1.00 35.11 H new ATOM 0 HG12 ILE A 84 26.202 44.855 -34.546 1.00 70.51 H new ATOM 0 HG13 ILE A 84 25.202 43.573 -35.200 1.00 70.51 H new ATOM 0 HG21 ILE A 84 25.374 46.740 -35.645 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.938 46.714 -37.370 1.00 63.41 H new ATOM 0 HG23 ILE A 84 24.009 45.743 -36.203 1.00 63.41 H new ATOM 0 HD11 ILE A 84 27.332 42.694 -34.385 1.00 21.15 H new ATOM 0 HD12 ILE A 84 27.203 42.478 -36.147 1.00 21.15 H new ATOM 0 HD13 ILE A 84 28.218 43.780 -35.482 1.00 21.15 H new ATOM 1242 N VAL A 85 23.878 44.583 -39.585 1.00 45.21 N ATOM 1243 CA VAL A 85 23.403 45.259 -40.777 1.00 41.00 C ATOM 1244 C VAL A 85 22.455 46.397 -40.412 1.00 52.13 C ATOM 1245 O VAL A 85 21.254 46.188 -40.207 1.00 43.50 O ATOM 1246 CB VAL A 85 22.692 44.276 -41.733 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.267 44.980 -43.011 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.593 43.092 -42.056 1.00 64.33 C ATOM 0 H VAL A 85 23.243 43.872 -39.222 1.00 45.21 H new ATOM 0 HA VAL A 85 24.274 45.671 -41.287 1.00 41.00 H new ATOM 0 HB VAL A 85 21.799 43.904 -41.231 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.768 44.269 -43.670 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.582 45.792 -42.768 1.00 1.04 H new ATOM 0 HG13 VAL A 85 23.146 45.385 -43.513 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.073 42.412 -42.731 1.00 64.33 H new ATOM 0 HG22 VAL A 85 24.506 43.449 -42.533 1.00 64.33 H new ATOM 0 HG23 VAL A 85 23.847 42.566 -41.136 1.00 64.33 H new ATOM 1258 N ASP A 86 23.002 47.597 -40.302 1.00 31.13 N ATOM 1259 CA ASP A 86 22.198 48.763 -39.981 1.00 20.21 C ATOM 1260 C ASP A 86 21.870 49.516 -41.260 1.00 24.31 C ATOM 1261 O ASP A 86 22.764 50.008 -41.954 1.00 74.51 O ATOM 1262 CB ASP A 86 22.924 49.678 -38.991 1.00 4.42 C ATOM 1263 CG ASP A 86 21.977 50.645 -38.307 1.00 33.31 C ATOM 1264 OD1 ASP A 86 21.134 50.182 -37.511 1.00 21.44 O ATOM 1265 OD2 ASP A 86 22.079 51.869 -38.540 1.00 45.22 O1- ATOM 0 H ASP A 86 23.996 47.788 -40.430 1.00 31.13 H new ATOM 0 HA ASP A 86 21.273 48.433 -39.507 1.00 20.21 H new ATOM 0 HB2 ASP A 86 23.427 49.071 -38.239 1.00 4.42 H new ATOM 0 HB3 ASP A 86 23.697 50.239 -39.516 1.00 4.42 H new ATOM 1270 N ILE A 87 20.591 49.567 -41.589 1.00 70.13 N ATOM 1271 CA ILE A 87 20.147 50.182 -42.828 1.00 11.31 C ATOM 1272 C ILE A 87 20.050 51.696 -42.673 1.00 5.45 C ATOM 1273 O ILE A 87 19.041 52.228 -42.204 1.00 31.44 O ATOM 1274 CB ILE A 87 18.788 49.599 -43.286 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.922 48.090 -43.521 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.300 50.298 -44.549 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.630 47.411 -43.922 1.00 31.30 C ATOM 0 H ILE A 87 19.839 49.188 -41.013 1.00 70.13 H new ATOM 0 HA ILE A 87 20.888 49.957 -43.595 1.00 11.31 H new ATOM 0 HB ILE A 87 18.051 49.769 -42.501 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.667 47.919 -44.298 1.00 41.53 H new ATOM 0 HG13 ILE A 87 19.298 47.623 -42.611 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.344 49.873 -44.854 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.177 51.363 -44.351 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.029 50.159 -45.347 1.00 33.35 H new ATOM 0 HD11 ILE A 87 17.809 46.346 -44.069 1.00 31.30 H new ATOM 0 HD12 ILE A 87 16.887 47.549 -43.136 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.262 47.849 -44.850 1.00 31.30 H new ATOM 1289 N ALA A 88 21.117 52.383 -43.059 1.00 34.53 N ATOM 1290 CA ALA A 88 21.191 53.825 -42.919 1.00 21.21 C ATOM 1291 C ALA A 88 20.630 54.525 -44.150 1.00 23.43 C ATOM 1292 O ALA A 88 21.370 55.031 -44.996 1.00 54.14 O ATOM 1293 CB ALA A 88 22.624 54.269 -42.659 1.00 40.44 C ATOM 0 H ALA A 88 21.946 51.958 -43.474 1.00 34.53 H new ATOM 0 HA ALA A 88 20.581 54.109 -42.061 1.00 21.21 H new ATOM 0 HB1 ALA A 88 22.656 55.354 -42.557 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.987 53.808 -41.741 1.00 40.44 H new ATOM 0 HB3 ALA A 88 23.256 53.964 -43.493 1.00 40.44 H new ATOM 1299 N ASN A 89 19.314 54.516 -44.270 1.00 52.24 N ATOM 1300 CA ASN A 89 18.649 55.272 -45.317 1.00 21.13 C ATOM 1301 C ASN A 89 18.365 56.675 -44.814 1.00 22.12 C ATOM 1302 O ASN A 89 17.350 56.917 -44.163 1.00 62.21 O ATOM 1303 CB ASN A 89 17.349 54.594 -45.759 1.00 44.43 C ATOM 1304 CG ASN A 89 16.621 55.357 -46.859 1.00 51.24 C ATOM 1305 OD1 ASN A 89 15.392 55.355 -46.916 1.00 34.21 O ATOM 1306 ND2 ASN A 89 17.367 56.003 -47.747 1.00 52.10 N ATOM 0 H ASN A 89 18.686 53.995 -43.658 1.00 52.24 H new ATOM 0 HA ASN A 89 19.306 55.316 -46.185 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.573 53.587 -46.111 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.689 54.492 -44.898 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.923 56.519 -48.507 1.00 52.10 H new ATOM 0 HD22 ASN A 89 18.384 55.983 -47.669 1.00 52.10 H new ATOM 1313 N ARG A 90 19.289 57.581 -45.083 1.00 34.23 N ATOM 1314 CA ARG A 90 19.167 58.954 -44.631 1.00 61.53 C ATOM 1315 C ARG A 90 19.494 59.903 -45.776 1.00 14.51 C ATOM 1316 O ARG A 90 20.219 59.526 -46.705 1.00 31.12 O ATOM 1317 CB ARG A 90 20.106 59.209 -43.445 1.00 1.00 C ATOM 1318 CG ARG A 90 19.881 60.550 -42.762 1.00 75.44 C ATOM 1319 CD ARG A 90 18.510 60.608 -42.110 1.00 14.21 C ATOM 1320 NE ARG A 90 18.098 61.975 -41.802 1.00 45.22 N ATOM 1321 CZ ARG A 90 17.148 62.283 -40.920 1.00 45.51 C ATOM 1322 NH1 ARG A 90 16.562 61.328 -40.205 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 16.787 63.549 -40.743 1.00 21.12 N ATOM 0 H ARG A 90 20.137 57.387 -45.616 1.00 34.23 H new ATOM 0 HA ARG A 90 18.142 59.131 -44.304 1.00 61.53 H new ATOM 0 HB2 ARG A 90 19.976 58.412 -42.713 1.00 1.00 H new ATOM 0 HB3 ARG A 90 21.138 59.157 -43.793 1.00 1.00 H new ATOM 0 HG2 ARG A 90 20.652 60.712 -42.009 1.00 75.44 H new ATOM 0 HG3 ARG A 90 19.974 61.354 -43.492 1.00 75.44 H new ATOM 0 HD2 ARG A 90 17.776 60.151 -42.773 1.00 14.21 H new ATOM 0 HD3 ARG A 90 18.522 60.019 -41.193 1.00 14.21 H new ATOM 0 HE ARG A 90 18.565 62.739 -42.291 1.00 45.22 H new ATOM 0 HH11 ARG A 90 16.839 60.354 -40.330 1.00 34.45 H new ATOM 0 HH12 ARG A 90 15.835 61.569 -39.531 1.00 34.45 H new ATOM 0 HH21 ARG A 90 17.237 64.288 -41.283 1.00 21.12 H new ATOM 0 HH22 ARG A 90 16.059 63.782 -40.067 1.00 21.12 H new ATOM 1337 N ASP A 91 18.936 61.112 -45.707 1.00 14.33 N ATOM 1338 CA ASP A 91 19.161 62.163 -46.703 1.00 71.02 C ATOM 1339 C ASP A 91 18.492 61.815 -48.033 1.00 43.52 C ATOM 1340 O ASP A 91 17.524 62.459 -48.436 1.00 61.51 O ATOM 1341 CB ASP A 91 20.658 62.421 -46.907 1.00 34.34 C ATOM 1342 CG ASP A 91 20.925 63.716 -47.646 1.00 2.00 C ATOM 1343 OD1 ASP A 91 20.741 63.755 -48.880 1.00 21.24 O ATOM 1344 OD2 ASP A 91 21.331 64.704 -46.993 1.00 32.31 O1- ATOM 0 H ASP A 91 18.310 61.393 -44.952 1.00 14.33 H new ATOM 0 HA ASP A 91 18.707 63.078 -46.322 1.00 71.02 H new ATOM 0 HB2 ASP A 91 21.154 62.450 -45.937 1.00 34.34 H new ATOM 0 HB3 ASP A 91 21.094 61.592 -47.463 1.00 34.34 H new ATOM 1349 N GLY A 92 19.004 60.794 -48.705 1.00 75.32 N ATOM 1350 CA GLY A 92 18.416 60.362 -49.958 1.00 62.34 C ATOM 1351 C GLY A 92 19.163 59.219 -50.611 1.00 52.21 C ATOM 1352 O GLY A 92 19.078 59.028 -51.822 1.00 23.30 O ATOM 0 H GLY A 92 19.817 60.256 -48.405 1.00 75.32 H new ATOM 0 HA2 GLY A 92 17.384 60.058 -49.781 1.00 62.34 H new ATOM 0 HA3 GLY A 92 18.385 61.206 -50.647 1.00 62.34 H new ATOM 1356 N GLN A 93 19.900 58.450 -49.824 1.00 55.42 N ATOM 1357 CA GLN A 93 20.626 57.305 -50.356 1.00 43.03 C ATOM 1358 C GLN A 93 20.503 56.117 -49.411 1.00 53.23 C ATOM 1359 O GLN A 93 20.316 56.290 -48.205 1.00 62.41 O ATOM 1360 CB GLN A 93 22.109 57.643 -50.575 1.00 32.14 C ATOM 1361 CG GLN A 93 22.376 58.688 -51.658 1.00 62.32 C ATOM 1362 CD GLN A 93 22.456 58.115 -53.073 1.00 5.43 C ATOM 1363 OE1 GLN A 93 21.748 57.027 -53.338 1.00 25.23 O flip ATOM 1364 NE2 GLN A 93 23.168 58.648 -53.925 1.00 33.20 N flip ATOM 0 H GLN A 93 20.011 58.596 -48.821 1.00 55.42 H new ATOM 0 HA GLN A 93 20.185 57.047 -51.319 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.528 58.000 -49.634 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.641 56.728 -50.834 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.586 59.439 -51.626 1.00 62.32 H new ATOM 0 HG3 GLN A 93 23.311 59.199 -51.431 1.00 62.32 H new ATOM 0 HE21 GLN A 93 23.702 59.485 -53.692 1.00 33.20 H new ATOM 0 HE22 GLN A 93 23.224 58.252 -54.863 1.00 33.20 H new ATOM 1373 N LEU A 94 20.595 54.918 -49.962 1.00 22.14 N ATOM 1374 CA LEU A 94 20.564 53.704 -49.164 1.00 50.31 C ATOM 1375 C LEU A 94 21.977 53.329 -48.743 1.00 43.43 C ATOM 1376 O LEU A 94 22.709 52.694 -49.496 1.00 52.24 O ATOM 1377 CB LEU A 94 19.930 52.544 -49.948 1.00 41.23 C ATOM 1378 CG LEU A 94 18.396 52.530 -50.027 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.788 52.405 -48.641 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.862 53.765 -50.740 1.00 42.11 C ATOM 0 H LEU A 94 20.692 54.759 -50.965 1.00 22.14 H new ATOM 0 HA LEU A 94 19.956 53.892 -48.279 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.324 52.563 -50.964 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.257 51.607 -49.496 1.00 41.23 H new ATOM 0 HG LEU A 94 18.104 51.658 -50.613 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.701 52.397 -48.720 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.125 51.477 -48.178 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.101 53.251 -48.029 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.774 53.721 -50.777 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.171 54.659 -50.199 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.259 53.799 -51.755 1.00 42.11 H new ATOM 1392 N GLN A 95 22.373 53.752 -47.559 1.00 22.34 N ATOM 1393 CA GLN A 95 23.707 53.465 -47.073 1.00 52.10 C ATOM 1394 C GLN A 95 23.669 52.249 -46.158 1.00 55.53 C ATOM 1395 O GLN A 95 23.117 52.296 -45.062 1.00 20.22 O ATOM 1396 CB GLN A 95 24.282 54.688 -46.355 1.00 54.30 C ATOM 1397 CG GLN A 95 25.753 54.560 -45.994 1.00 4.25 C ATOM 1398 CD GLN A 95 26.387 55.884 -45.592 1.00 5.40 C ATOM 1399 OE1 GLN A 95 27.290 55.927 -44.758 1.00 14.41 O ATOM 1400 NE2 GLN A 95 25.952 56.972 -46.210 1.00 5.31 N ATOM 0 H GLN A 95 21.793 54.293 -46.918 1.00 22.34 H new ATOM 0 HA GLN A 95 24.361 53.237 -47.915 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.149 55.564 -46.990 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.709 54.864 -45.444 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.859 53.850 -45.174 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.295 54.148 -46.845 1.00 4.25 H new ATOM 0 HE21 GLN A 95 25.201 56.903 -46.897 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.368 57.879 -45.999 1.00 5.31 H new ATOM 1409 N LEU A 96 24.219 51.150 -46.638 1.00 75.11 N ATOM 1410 CA LEU A 96 24.200 49.903 -45.896 1.00 53.33 C ATOM 1411 C LEU A 96 25.434 49.795 -45.007 1.00 12.32 C ATOM 1412 O LEU A 96 26.514 49.435 -45.472 1.00 51.50 O ATOM 1413 CB LEU A 96 24.140 48.716 -46.862 1.00 11.23 C ATOM 1414 CG LEU A 96 23.877 47.359 -46.212 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.494 47.333 -45.582 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.021 46.242 -47.233 1.00 11.35 C ATOM 0 H LEU A 96 24.687 51.095 -47.543 1.00 75.11 H new ATOM 0 HA LEU A 96 23.313 49.888 -45.263 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.358 48.906 -47.597 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.083 48.663 -47.406 1.00 11.23 H new ATOM 0 HG LEU A 96 24.617 47.202 -45.427 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.322 46.360 -45.123 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.426 48.110 -44.821 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.741 47.511 -46.350 1.00 12.31 H new ATOM 0 HD21 LEU A 96 23.830 45.283 -46.752 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.304 46.392 -48.040 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.032 46.249 -47.640 1.00 11.35 H new ATOM 1428 N ASN A 97 25.274 50.121 -43.737 1.00 24.34 N ATOM 1429 CA ASN A 97 26.386 50.077 -42.800 1.00 24.31 C ATOM 1430 C ASN A 97 26.471 48.713 -42.138 1.00 43.41 C ATOM 1431 O ASN A 97 25.800 48.443 -41.141 1.00 33.42 O ATOM 1432 CB ASN A 97 26.255 51.179 -41.745 1.00 32.34 C ATOM 1433 CG ASN A 97 26.626 52.547 -42.285 1.00 4.11 C ATOM 1434 OD1 ASN A 97 26.503 52.811 -43.477 1.00 11.22 O ATOM 1435 ND2 ASN A 97 27.081 53.428 -41.410 1.00 2.51 N ATOM 0 H ASN A 97 24.387 50.419 -43.330 1.00 24.34 H new ATOM 0 HA ASN A 97 27.307 50.249 -43.358 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.230 51.204 -41.375 1.00 32.34 H new ATOM 0 HB3 ASN A 97 26.895 50.942 -40.895 1.00 32.34 H new ATOM 0 HD21 ASN A 97 27.344 54.364 -41.718 1.00 2.51 H new ATOM 0 HD22 ASN A 97 27.169 53.171 -40.427 1.00 2.51 H new ATOM 1442 N VAL A 98 27.278 47.843 -42.721 1.00 45.14 N ATOM 1443 CA VAL A 98 27.483 46.513 -42.179 1.00 72.02 C ATOM 1444 C VAL A 98 28.686 46.491 -41.253 1.00 15.31 C ATOM 1445 O VAL A 98 29.820 46.699 -41.678 1.00 42.35 O ATOM 1446 CB VAL A 98 27.675 45.462 -43.292 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.111 44.130 -42.709 1.00 50.42 C ATOM 1448 CG2 VAL A 98 26.395 45.286 -44.079 1.00 24.02 C ATOM 0 H VAL A 98 27.804 48.036 -43.574 1.00 45.14 H new ATOM 0 HA VAL A 98 26.585 46.257 -41.617 1.00 72.02 H new ATOM 0 HB VAL A 98 28.457 45.820 -43.962 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.240 43.406 -43.513 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.055 44.256 -42.180 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.351 43.770 -42.015 1.00 50.42 H new ATOM 0 HG21 VAL A 98 26.548 44.541 -44.860 1.00 24.02 H new ATOM 0 HG22 VAL A 98 25.600 44.954 -43.411 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.114 46.236 -44.533 1.00 24.02 H new ATOM 1458 N THR A 99 28.430 46.253 -39.988 1.00 13.53 N ATOM 1459 CA THR A 99 29.485 46.162 -39.004 1.00 63.52 C ATOM 1460 C THR A 99 29.746 44.700 -38.649 1.00 34.14 C ATOM 1461 O THR A 99 28.912 44.048 -38.024 1.00 52.04 O ATOM 1462 CB THR A 99 29.106 46.949 -37.742 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.740 48.286 -38.107 1.00 32.14 O ATOM 1464 CG2 THR A 99 30.259 46.985 -36.748 1.00 64.32 C ATOM 0 H THR A 99 27.491 46.118 -39.613 1.00 13.53 H new ATOM 0 HA THR A 99 30.393 46.592 -39.426 1.00 63.52 H new ATOM 0 HB THR A 99 28.263 46.450 -37.265 1.00 15.12 H new ATOM 0 HG1 THR A 99 28.496 48.790 -37.302 1.00 32.14 H new ATOM 0 HG21 THR A 99 29.960 47.549 -35.865 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.521 45.968 -36.457 1.00 64.32 H new ATOM 0 HG23 THR A 99 31.123 47.464 -37.210 1.00 64.32 H new ATOM 1472 N ASP A 100 30.886 44.181 -39.082 1.00 61.11 N ATOM 1473 CA ASP A 100 31.244 42.790 -38.803 1.00 23.41 C ATOM 1474 C ASP A 100 31.378 42.556 -37.299 1.00 63.40 C ATOM 1475 O ASP A 100 31.878 43.414 -36.573 1.00 62.23 O ATOM 1476 CB ASP A 100 32.547 42.419 -39.513 1.00 14.41 C ATOM 1477 CG ASP A 100 33.036 41.033 -39.143 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.048 40.938 -38.425 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.410 40.037 -39.558 1.00 11.31 O1- ATOM 0 H ASP A 100 31.579 44.696 -39.626 1.00 61.11 H new ATOM 0 HA ASP A 100 30.445 42.152 -39.182 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.397 42.472 -40.591 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.315 43.151 -39.262 1.00 14.41 H new ATOM 1484 N ARG A 101 30.920 41.401 -36.843 1.00 1.22 N ATOM 1485 CA ARG A 101 30.938 41.073 -35.425 1.00 70.42 C ATOM 1486 C ARG A 101 32.237 40.354 -35.065 1.00 41.44 C ATOM 1487 O ARG A 101 32.705 40.436 -33.934 1.00 3.54 O ATOM 1488 CB ARG A 101 29.724 40.193 -35.099 1.00 70.04 C ATOM 1489 CG ARG A 101 29.229 40.276 -33.661 1.00 12.41 C ATOM 1490 CD ARG A 101 29.690 39.094 -32.817 1.00 13.24 C ATOM 1491 NE ARG A 101 31.019 39.296 -32.244 1.00 14.53 N ATOM 1492 CZ ARG A 101 31.477 38.647 -31.176 1.00 32.32 C ATOM 1493 NH1 ARG A 101 30.747 37.696 -30.606 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 32.673 38.944 -30.681 1.00 52.25 N ATOM 0 H ARG A 101 30.529 40.671 -37.438 1.00 1.22 H new ATOM 0 HA ARG A 101 30.886 41.989 -34.836 1.00 70.42 H new ATOM 0 HB2 ARG A 101 28.906 40.470 -35.764 1.00 70.04 H new ATOM 0 HB3 ARG A 101 29.978 39.156 -35.320 1.00 70.04 H new ATOM 0 HG2 ARG A 101 29.586 41.202 -33.210 1.00 12.41 H new ATOM 0 HG3 ARG A 101 28.140 40.319 -33.657 1.00 12.41 H new ATOM 0 HD2 ARG A 101 28.974 38.925 -32.013 1.00 13.24 H new ATOM 0 HD3 ARG A 101 29.697 38.194 -33.432 1.00 13.24 H new ATOM 0 HE ARG A 101 31.634 39.977 -32.690 1.00 14.53 H new ATOM 0 HH11 ARG A 101 29.831 37.460 -30.986 1.00 20.33 H new ATOM 0 HH12 ARG A 101 31.103 37.202 -29.788 1.00 20.33 H new ATOM 0 HH21 ARG A 101 33.241 39.669 -31.119 1.00 52.25 H new ATOM 0 HH22 ARG A 101 33.024 38.447 -29.863 1.00 52.25 H new ATOM 1508 N LYS A 102 32.827 39.677 -36.043 1.00 25.22 N ATOM 1509 CA LYS A 102 34.006 38.849 -35.802 1.00 51.24 C ATOM 1510 C LYS A 102 35.232 39.711 -35.491 1.00 24.03 C ATOM 1511 O LYS A 102 35.717 39.735 -34.360 1.00 61.52 O ATOM 1512 CB LYS A 102 34.296 37.960 -37.014 1.00 63.24 C ATOM 1513 CG LYS A 102 33.094 37.169 -37.501 1.00 64.00 C ATOM 1514 CD LYS A 102 33.486 36.177 -38.586 1.00 42.35 C ATOM 1515 CE LYS A 102 34.141 36.864 -39.778 1.00 32.33 C ATOM 1516 NZ LYS A 102 33.199 37.749 -40.513 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.509 39.684 -37.012 1.00 25.22 H new ATOM 0 HA LYS A 102 33.796 38.219 -34.938 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.663 38.583 -37.830 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.096 37.265 -36.759 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.644 36.636 -36.664 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.338 37.853 -37.887 1.00 64.00 H new ATOM 0 HD2 LYS A 102 34.172 35.438 -38.171 1.00 42.35 H new ATOM 0 HD3 LYS A 102 32.600 35.637 -38.921 1.00 42.35 H new ATOM 0 HE2 LYS A 102 34.992 37.451 -39.432 1.00 32.33 H new ATOM 0 HE3 LYS A 102 34.531 36.108 -40.460 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 33.667 38.126 -41.362 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 32.359 37.204 -40.794 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 32.911 38.537 -39.898 1.00 73.14 H new ATOM 1530 N THR A 103 35.719 40.420 -36.495 1.00 32.11 N ATOM 1531 CA THR A 103 36.888 41.267 -36.336 1.00 65.25 C ATOM 1532 C THR A 103 36.451 42.715 -36.135 1.00 51.12 C ATOM 1533 O THR A 103 37.145 43.510 -35.496 1.00 72.12 O ATOM 1534 CB THR A 103 37.842 41.152 -37.549 1.00 3.51 C ATOM 1535 OG1 THR A 103 39.040 41.900 -37.312 1.00 71.14 O ATOM 1536 CG2 THR A 103 37.183 41.642 -38.830 1.00 15.44 C ATOM 0 H THR A 103 35.320 40.425 -37.434 1.00 32.11 H new ATOM 0 HA THR A 103 37.436 40.930 -35.456 1.00 65.25 H new ATOM 0 HB THR A 103 38.087 40.097 -37.672 1.00 3.51 H new ATOM 0 HG1 THR A 103 39.635 41.818 -38.086 1.00 71.14 H new ATOM 0 HG21 THR A 103 37.884 41.546 -39.659 1.00 15.44 H new ATOM 0 HG22 THR A 103 36.295 41.044 -39.034 1.00 15.44 H new ATOM 0 HG23 THR A 103 36.898 42.688 -38.715 1.00 15.44 H new ATOM 1544 N GLY A 104 35.280 43.038 -36.667 1.00 65.24 N ATOM 1545 CA GLY A 104 34.724 44.360 -36.490 1.00 42.41 C ATOM 1546 C GLY A 104 35.261 45.363 -37.487 1.00 24.42 C ATOM 1547 O GLY A 104 36.154 46.150 -37.175 1.00 13.23 O ATOM 0 H GLY A 104 34.705 42.403 -37.220 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.639 44.308 -36.583 1.00 42.41 H new ATOM 0 HA3 GLY A 104 34.941 44.708 -35.480 1.00 42.41 H new ATOM 1551 N GLN A 105 34.720 45.322 -38.692 1.00 51.35 N ATOM 1552 CA GLN A 105 35.052 46.290 -39.721 1.00 72.04 C ATOM 1553 C GLN A 105 33.783 46.951 -40.226 1.00 12.40 C ATOM 1554 O GLN A 105 32.730 46.310 -40.312 1.00 64.30 O ATOM 1555 CB GLN A 105 35.796 45.634 -40.891 1.00 71.44 C ATOM 1556 CG GLN A 105 37.224 45.222 -40.568 1.00 11.23 C ATOM 1557 CD GLN A 105 38.060 46.370 -40.029 1.00 44.43 C ATOM 1558 OE1 GLN A 105 37.810 47.541 -40.329 1.00 42.45 O ATOM 1559 NE2 GLN A 105 39.077 46.040 -39.252 1.00 23.32 N ATOM 0 H GLN A 105 34.041 44.619 -38.983 1.00 51.35 H new ATOM 0 HA GLN A 105 35.711 47.039 -39.282 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.240 44.754 -41.213 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.811 46.327 -41.732 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.208 44.415 -39.835 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.695 44.826 -41.468 1.00 11.23 H new ATOM 0 HE21 GLN A 105 39.250 45.060 -39.027 1.00 23.32 H new ATOM 0 HE22 GLN A 105 39.689 46.765 -38.877 1.00 23.32 H new ATOM 1568 N THR A 106 33.880 48.230 -40.545 1.00 25.35 N ATOM 1569 CA THR A 106 32.735 48.982 -41.012 1.00 43.25 C ATOM 1570 C THR A 106 32.607 48.884 -42.529 1.00 44.11 C ATOM 1571 O THR A 106 33.267 49.610 -43.271 1.00 33.22 O ATOM 1572 CB THR A 106 32.847 50.461 -40.596 1.00 61.32 C ATOM 1573 OG1 THR A 106 33.240 50.542 -39.220 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.522 51.185 -40.783 1.00 5.13 C ATOM 0 H THR A 106 34.744 48.768 -40.488 1.00 25.35 H new ATOM 0 HA THR A 106 31.844 48.552 -40.553 1.00 43.25 H new ATOM 0 HB THR A 106 33.595 50.939 -41.229 1.00 61.32 H new ATOM 0 HG1 THR A 106 33.313 51.483 -38.955 1.00 1.35 H new ATOM 0 HG21 THR A 106 31.631 52.227 -40.481 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.227 51.140 -41.831 1.00 5.13 H new ATOM 0 HG23 THR A 106 30.757 50.708 -40.170 1.00 5.13 H new ATOM 1582 N SER A 107 31.777 47.961 -42.983 1.00 30.10 N ATOM 1583 CA SER A 107 31.518 47.802 -44.400 1.00 71.15 C ATOM 1584 C SER A 107 30.368 48.713 -44.811 1.00 42.21 C ATOM 1585 O SER A 107 29.215 48.286 -44.885 1.00 53.14 O ATOM 1586 CB SER A 107 31.195 46.335 -44.723 1.00 62.32 C ATOM 1587 OG SER A 107 30.938 46.151 -46.108 1.00 35.01 O ATOM 0 H SER A 107 31.269 47.308 -42.386 1.00 30.10 H new ATOM 0 HA SER A 107 32.408 48.082 -44.964 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.029 45.702 -44.420 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.327 46.017 -44.145 1.00 62.32 H new ATOM 0 HG SER A 107 30.737 45.207 -46.281 1.00 35.01 H new ATOM 1593 N THR A 108 30.683 49.982 -45.025 1.00 61.34 N ATOM 1594 CA THR A 108 29.689 50.964 -45.415 1.00 45.01 C ATOM 1595 C THR A 108 29.432 50.904 -46.917 1.00 51.14 C ATOM 1596 O THR A 108 30.221 51.405 -47.719 1.00 24.12 O ATOM 1597 CB THR A 108 30.141 52.381 -45.024 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.501 52.410 -43.638 1.00 42.23 O ATOM 1599 CG2 THR A 108 29.038 53.392 -45.278 1.00 12.31 C ATOM 0 H THR A 108 31.628 50.355 -44.933 1.00 61.34 H new ATOM 0 HA THR A 108 28.764 50.730 -44.888 1.00 45.01 H new ATOM 0 HB THR A 108 31.004 52.644 -45.636 1.00 51.54 H new ATOM 0 HG1 THR A 108 30.790 53.314 -43.394 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.383 54.386 -44.993 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.777 53.388 -46.336 1.00 12.31 H new ATOM 0 HG23 THR A 108 28.161 53.129 -44.687 1.00 12.31 H new ATOM 1607 N ILE A 109 28.334 50.273 -47.293 1.00 13.34 N ATOM 1608 CA ILE A 109 27.984 50.122 -48.693 1.00 55.11 C ATOM 1609 C ILE A 109 26.940 51.156 -49.097 1.00 14.15 C ATOM 1610 O ILE A 109 25.740 50.946 -48.922 1.00 1.14 O ATOM 1611 CB ILE A 109 27.452 48.704 -48.998 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.450 47.652 -48.507 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.195 48.538 -50.491 1.00 4.42 C ATOM 1614 CD1 ILE A 109 27.976 46.225 -48.694 1.00 12.41 C ATOM 0 H ILE A 109 27.667 49.855 -46.644 1.00 13.34 H new ATOM 0 HA ILE A 109 28.894 50.278 -49.273 1.00 55.11 H new ATOM 0 HB ILE A 109 26.508 48.565 -48.471 1.00 61.20 H new ATOM 0 HG12 ILE A 109 29.393 47.784 -49.037 1.00 73.01 H new ATOM 0 HG13 ILE A 109 28.652 47.822 -47.450 1.00 73.01 H new ATOM 0 HG21 ILE A 109 26.821 47.533 -50.686 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.456 49.270 -50.817 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.124 48.692 -51.039 1.00 4.42 H new ATOM 0 HD11 ILE A 109 28.736 45.538 -48.323 1.00 12.41 H new ATOM 0 HD12 ILE A 109 27.049 46.074 -48.141 1.00 12.41 H new ATOM 0 HD13 ILE A 109 27.801 46.035 -49.753 1.00 12.41 H new ATOM 1626 N GLN A 110 27.403 52.292 -49.595 1.00 42.43 N ATOM 1627 CA GLN A 110 26.503 53.310 -50.109 1.00 3.53 C ATOM 1628 C GLN A 110 25.913 52.852 -51.433 1.00 10.22 C ATOM 1629 O GLN A 110 26.611 52.807 -52.445 1.00 61.10 O ATOM 1630 CB GLN A 110 27.239 54.636 -50.312 1.00 51.25 C ATOM 1631 CG GLN A 110 27.810 55.235 -49.039 1.00 2.41 C ATOM 1632 CD GLN A 110 28.526 56.545 -49.291 1.00 4.14 C ATOM 1633 OE1 GLN A 110 28.181 57.294 -50.207 1.00 23.33 O ATOM 1634 NE2 GLN A 110 29.531 56.830 -48.480 1.00 32.10 N ATOM 0 H GLN A 110 28.393 52.531 -49.654 1.00 42.43 H new ATOM 0 HA GLN A 110 25.706 53.462 -49.382 1.00 3.53 H new ATOM 0 HB2 GLN A 110 28.051 54.482 -51.023 1.00 51.25 H new ATOM 0 HB3 GLN A 110 26.553 55.354 -50.761 1.00 51.25 H new ATOM 0 HG2 GLN A 110 27.004 55.396 -48.323 1.00 2.41 H new ATOM 0 HG3 GLN A 110 28.503 54.526 -48.586 1.00 2.41 H new ATOM 0 HE21 GLN A 110 29.784 56.182 -47.734 1.00 32.10 H new ATOM 0 HE22 GLN A 110 30.053 57.698 -48.600 1.00 32.10 H new ATOM 1643 N VAL A 111 24.643 52.483 -51.421 1.00 22.34 N ATOM 1644 CA VAL A 111 23.957 52.079 -52.638 1.00 74.24 C ATOM 1645 C VAL A 111 23.615 53.310 -53.467 1.00 21.00 C ATOM 1646 O VAL A 111 22.709 54.075 -53.125 1.00 75.11 O ATOM 1647 CB VAL A 111 22.671 51.283 -52.330 1.00 73.33 C ATOM 1648 CG1 VAL A 111 21.977 50.849 -53.611 1.00 13.23 C ATOM 1649 CG2 VAL A 111 22.984 50.078 -51.454 1.00 44.35 C ATOM 0 H VAL A 111 24.065 52.455 -50.581 1.00 22.34 H new ATOM 0 HA VAL A 111 24.626 51.428 -53.200 1.00 74.24 H new ATOM 0 HB VAL A 111 21.991 51.938 -51.785 1.00 73.33 H new ATOM 0 HG11 VAL A 111 21.074 50.290 -53.364 1.00 13.23 H new ATOM 0 HG12 VAL A 111 21.711 51.729 -54.197 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.648 50.216 -54.192 1.00 13.23 H new ATOM 0 HG21 VAL A 111 22.065 49.530 -51.248 1.00 44.35 H new ATOM 0 HG22 VAL A 111 23.688 49.425 -51.971 1.00 44.35 H new ATOM 0 HG23 VAL A 111 23.424 50.415 -50.515 1.00 44.35 H new