USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=16 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 : amide:sc= -1.45! X(o=-2!,f=-1.7) USER MOD Set 1.2: A 97 ASN : amide:sc= -0.533 X(o=-2,f=-1.7) USER MOD Set 1.3: A 108 THR OG1 : rot 180:sc= 0 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 K(o=0,f=-0.63) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0314 X(o=-0.031,f=-0.45) USER MOD Single : A 59 GLN : amide:sc= -0.0338 K(o=-0.034,f=-0.57) USER MOD Single : A 60 SER OG : rot 180:sc= 0.00386 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.418 F(o=-1.5!,f=-0.42) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0405 K(o=-0.04,f=-1.3!) USER MOD Single : A 78 MET CE :methyl -142:sc= -0.246 (180deg=-0.948) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0199 K(o=-0.02,f=-1) USER MOD Single : A 83 TYR OH : rot -123:sc= 0.429 USER MOD Single : A 89 ASN : amide:sc= -0.841 K(o=-0.84,f=-8.4!) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0207 F(o=-2.4!,f=-0.021) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -129:sc= -0.446 (180deg=-1.92) 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= 0.0956 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 28.851 44.816 -14.025 1.00 65.21 N ATOM 660 CA GLU A 46 29.427 46.134 -14.248 1.00 41.54 C ATOM 661 C GLU A 46 30.938 46.004 -14.418 1.00 5.12 C ATOM 662 O GLU A 46 31.722 46.740 -13.820 1.00 43.23 O ATOM 663 CB GLU A 46 29.079 47.097 -13.105 1.00 55.55 C ATOM 664 CG GLU A 46 29.333 48.552 -13.459 1.00 14.53 C ATOM 665 CD GLU A 46 28.966 49.502 -12.345 1.00 0.14 C ATOM 666 OE1 GLU A 46 27.798 49.932 -12.285 1.00 65.32 O ATOM 667 OE2 GLU A 46 29.845 49.830 -11.524 1.00 5.55 O1- ATOM 0 HA GLU A 46 29.001 46.555 -15.159 1.00 41.54 H new ATOM 0 HB2 GLU A 46 28.030 46.971 -12.838 1.00 55.55 H new ATOM 0 HB3 GLU A 46 29.666 46.835 -12.225 1.00 55.55 H new ATOM 0 HG2 GLU A 46 30.386 48.681 -13.707 1.00 14.53 H new ATOM 0 HG3 GLU A 46 28.761 48.808 -14.351 1.00 14.53 H new ATOM 674 N THR A 47 31.332 45.034 -15.229 1.00 53.34 N ATOM 675 CA THR A 47 32.734 44.795 -15.520 1.00 11.21 C ATOM 676 C THR A 47 33.012 45.065 -16.998 1.00 2.33 C ATOM 677 O THR A 47 32.913 44.165 -17.832 1.00 31.14 O ATOM 678 CB THR A 47 33.139 43.348 -15.166 1.00 14.13 C ATOM 679 OG1 THR A 47 32.705 43.041 -13.836 1.00 60.32 O ATOM 680 CG2 THR A 47 34.645 43.162 -15.261 1.00 31.14 C ATOM 0 H THR A 47 30.692 44.395 -15.701 1.00 53.34 H new ATOM 0 HA THR A 47 33.328 45.474 -14.908 1.00 11.21 H new ATOM 0 HB THR A 47 32.663 42.675 -15.879 1.00 14.13 H new ATOM 0 HG1 THR A 47 32.961 42.122 -13.612 1.00 60.32 H new ATOM 0 HG21 THR A 47 34.901 42.134 -15.006 1.00 31.14 H new ATOM 0 HG22 THR A 47 34.975 43.377 -16.277 1.00 31.14 H new ATOM 0 HG23 THR A 47 35.140 43.842 -14.567 1.00 31.14 H new ATOM 688 N PRO A 48 33.301 46.326 -17.352 1.00 63.35 N ATOM 689 CA PRO A 48 33.523 46.713 -18.741 1.00 21.13 C ATOM 690 C PRO A 48 34.835 46.170 -19.301 1.00 23.22 C ATOM 691 O PRO A 48 35.865 46.844 -19.284 1.00 30.10 O ATOM 692 CB PRO A 48 33.529 48.244 -18.693 1.00 72.10 C ATOM 693 CG PRO A 48 33.925 48.586 -17.299 1.00 2.42 C ATOM 694 CD PRO A 48 33.432 47.464 -16.427 1.00 3.12 C ATOM 0 HA PRO A 48 32.759 46.306 -19.403 1.00 21.13 H new ATOM 0 HB2 PRO A 48 34.232 48.658 -19.416 1.00 72.10 H new ATOM 0 HB3 PRO A 48 32.547 48.650 -18.935 1.00 72.10 H new ATOM 0 HG2 PRO A 48 35.007 48.693 -17.218 1.00 2.42 H new ATOM 0 HG3 PRO A 48 33.487 49.536 -16.993 1.00 2.42 H new ATOM 0 HD2 PRO A 48 34.134 47.246 -15.622 1.00 3.12 H new ATOM 0 HD3 PRO A 48 32.479 47.711 -15.960 1.00 3.12 H new ATOM 702 N SER A 49 34.795 44.927 -19.759 1.00 1.52 N ATOM 703 CA SER A 49 35.928 44.329 -20.438 1.00 71.45 C ATOM 704 C SER A 49 35.753 44.451 -21.943 1.00 5.40 C ATOM 705 O SER A 49 36.612 44.987 -22.641 1.00 55.33 O ATOM 706 CB SER A 49 36.061 42.859 -20.045 1.00 4.01 C ATOM 707 OG SER A 49 36.026 42.705 -18.636 1.00 52.25 O ATOM 0 H SER A 49 33.985 44.313 -19.671 1.00 1.52 H new ATOM 0 HA SER A 49 36.835 44.855 -20.142 1.00 71.45 H new ATOM 0 HB2 SER A 49 35.254 42.283 -20.498 1.00 4.01 H new ATOM 0 HB3 SER A 49 36.996 42.458 -20.435 1.00 4.01 H new ATOM 0 HG SER A 49 36.111 41.756 -18.408 1.00 52.25 H new ATOM 713 N ALA A 50 34.628 43.960 -22.445 1.00 4.34 N ATOM 714 CA ALA A 50 34.346 44.032 -23.869 1.00 71.23 C ATOM 715 C ALA A 50 33.385 45.172 -24.181 1.00 52.43 C ATOM 716 O ALA A 50 33.418 45.748 -25.265 1.00 63.35 O ATOM 717 CB ALA A 50 33.785 42.710 -24.365 1.00 52.42 C ATOM 0 H ALA A 50 33.900 43.510 -21.889 1.00 4.34 H new ATOM 0 HA ALA A 50 35.282 44.231 -24.390 1.00 71.23 H new ATOM 0 HB1 ALA A 50 33.579 42.780 -25.433 1.00 52.42 H new ATOM 0 HB2 ALA A 50 34.511 41.917 -24.187 1.00 52.42 H new ATOM 0 HB3 ALA A 50 32.862 42.483 -23.832 1.00 52.42 H new ATOM 723 N LEU A 51 32.549 45.509 -23.210 1.00 14.24 N ATOM 724 CA LEU A 51 31.528 46.534 -23.400 1.00 65.24 C ATOM 725 C LEU A 51 32.069 47.928 -23.098 1.00 54.11 C ATOM 726 O LEU A 51 31.366 48.921 -23.268 1.00 73.42 O ATOM 727 CB LEU A 51 30.308 46.260 -22.512 1.00 34.13 C ATOM 728 CG LEU A 51 30.565 46.326 -21.001 1.00 14.14 C ATOM 729 CD1 LEU A 51 29.365 46.919 -20.283 1.00 42.24 C ATOM 730 CD2 LEU A 51 30.877 44.944 -20.444 1.00 32.32 C ATOM 0 H LEU A 51 32.556 45.088 -22.281 1.00 14.24 H new ATOM 0 HA LEU A 51 31.229 46.496 -24.448 1.00 65.24 H new ATOM 0 HB2 LEU A 51 29.529 46.980 -22.762 1.00 34.13 H new ATOM 0 HB3 LEU A 51 29.918 45.271 -22.754 1.00 34.13 H new ATOM 0 HG LEU A 51 31.429 46.969 -20.833 1.00 14.14 H new ATOM 0 HD11 LEU A 51 29.565 46.958 -19.212 1.00 42.24 H new ATOM 0 HD12 LEU A 51 29.180 47.927 -20.655 1.00 42.24 H new ATOM 0 HD13 LEU A 51 28.488 46.298 -20.466 1.00 42.24 H new ATOM 0 HD21 LEU A 51 31.056 45.016 -19.371 1.00 32.32 H new ATOM 0 HD22 LEU A 51 30.033 44.279 -20.628 1.00 32.32 H new ATOM 0 HD23 LEU A 51 31.766 44.546 -20.934 1.00 32.32 H new ATOM 742 N ASP A 52 33.320 47.996 -22.662 1.00 2.23 N ATOM 743 CA ASP A 52 33.925 49.262 -22.259 1.00 12.25 C ATOM 744 C ASP A 52 34.002 50.244 -23.425 1.00 34.31 C ATOM 745 O ASP A 52 33.289 51.243 -23.442 1.00 33.15 O ATOM 746 CB ASP A 52 35.312 49.017 -21.671 1.00 5.20 C ATOM 747 CG ASP A 52 36.079 50.302 -21.435 1.00 62.52 C ATOM 748 OD1 ASP A 52 37.133 50.491 -22.081 1.00 12.41 O ATOM 749 OD2 ASP A 52 35.625 51.135 -20.622 1.00 63.02 O1- ATOM 0 H ASP A 52 33.938 47.189 -22.578 1.00 2.23 H new ATOM 0 HA ASP A 52 33.290 49.710 -21.495 1.00 12.25 H new ATOM 0 HB2 ASP A 52 35.213 48.479 -20.728 1.00 5.20 H new ATOM 0 HB3 ASP A 52 35.881 48.377 -22.346 1.00 5.20 H new ATOM 754 N ASN A 53 34.852 49.956 -24.402 1.00 61.25 N ATOM 755 CA ASN A 53 34.967 50.806 -25.586 1.00 42.12 C ATOM 756 C ASN A 53 33.673 50.758 -26.396 1.00 63.01 C ATOM 757 O ASN A 53 33.346 51.688 -27.134 1.00 23.25 O ATOM 758 CB ASN A 53 36.150 50.360 -26.452 1.00 44.53 C ATOM 759 CG ASN A 53 36.429 51.302 -27.611 1.00 73.01 C ATOM 760 OD1 ASN A 53 36.199 52.508 -27.522 1.00 72.42 O ATOM 761 ND2 ASN A 53 36.924 50.754 -28.711 1.00 31.23 N ATOM 0 H ASN A 53 35.470 49.145 -24.401 1.00 61.25 H new ATOM 0 HA ASN A 53 35.142 51.832 -25.262 1.00 42.12 H new ATOM 0 HB2 ASN A 53 37.041 50.286 -25.829 1.00 44.53 H new ATOM 0 HB3 ASN A 53 35.951 49.362 -26.843 1.00 44.53 H new ATOM 0 HD21 ASN A 53 37.128 51.336 -29.523 1.00 31.23 H new ATOM 0 HD22 ASN A 53 37.101 49.750 -28.746 1.00 31.23 H new ATOM 768 N PHE A 54 32.927 49.672 -26.222 1.00 22.14 N ATOM 769 CA PHE A 54 31.667 49.477 -26.923 1.00 43.23 C ATOM 770 C PHE A 54 30.668 50.572 -26.558 1.00 0.30 C ATOM 771 O PHE A 54 30.143 51.253 -27.437 1.00 51.31 O ATOM 772 CB PHE A 54 31.096 48.093 -26.594 1.00 64.13 C ATOM 773 CG PHE A 54 29.794 47.782 -27.279 1.00 32.43 C ATOM 774 CD1 PHE A 54 29.756 47.509 -28.637 1.00 20.25 C ATOM 775 CD2 PHE A 54 28.607 47.755 -26.561 1.00 52.44 C ATOM 776 CE1 PHE A 54 28.562 47.215 -29.266 1.00 74.25 C ATOM 777 CE2 PHE A 54 27.411 47.463 -27.187 1.00 41.13 C ATOM 778 CZ PHE A 54 27.389 47.191 -28.540 1.00 1.54 C ATOM 0 H PHE A 54 33.178 48.908 -25.595 1.00 22.14 H new ATOM 0 HA PHE A 54 31.852 49.536 -27.996 1.00 43.23 H new ATOM 0 HB2 PHE A 54 31.829 47.335 -26.871 1.00 64.13 H new ATOM 0 HB3 PHE A 54 30.953 48.019 -25.516 1.00 64.13 H new ATOM 0 HD1 PHE A 54 30.671 47.526 -29.210 1.00 20.25 H new ATOM 0 HD2 PHE A 54 28.618 47.965 -25.502 1.00 52.44 H new ATOM 0 HE1 PHE A 54 28.547 47.004 -30.325 1.00 74.25 H new ATOM 0 HE2 PHE A 54 26.493 47.448 -26.618 1.00 41.13 H new ATOM 0 HZ PHE A 54 26.455 46.960 -29.030 1.00 1.54 H new ATOM 788 N THR A 55 30.435 50.764 -25.262 1.00 75.41 N ATOM 789 CA THR A 55 29.462 51.747 -24.805 1.00 62.12 C ATOM 790 C THR A 55 29.953 53.172 -25.084 1.00 21.25 C ATOM 791 O THR A 55 29.162 54.112 -25.174 1.00 1.24 O ATOM 792 CB THR A 55 29.143 51.575 -23.297 1.00 4.21 C ATOM 793 OG1 THR A 55 27.984 52.343 -22.942 1.00 21.43 O ATOM 794 CG2 THR A 55 30.313 52.004 -22.423 1.00 4.31 C ATOM 0 H THR A 55 30.905 50.254 -24.514 1.00 75.41 H new ATOM 0 HA THR A 55 28.542 51.578 -25.365 1.00 62.12 H new ATOM 0 HB THR A 55 28.953 50.516 -23.125 1.00 4.21 H new ATOM 0 HG1 THR A 55 27.793 52.224 -21.988 1.00 21.43 H new ATOM 0 HG21 THR A 55 30.052 51.869 -21.373 1.00 4.31 H new ATOM 0 HG22 THR A 55 31.186 51.397 -22.661 1.00 4.31 H new ATOM 0 HG23 THR A 55 30.540 53.054 -22.608 1.00 4.31 H new ATOM 802 N GLN A 56 31.262 53.317 -25.250 1.00 32.54 N ATOM 803 CA GLN A 56 31.856 54.611 -25.563 1.00 40.22 C ATOM 804 C GLN A 56 31.556 54.983 -27.006 1.00 42.31 C ATOM 805 O GLN A 56 31.262 56.136 -27.320 1.00 33.50 O ATOM 806 CB GLN A 56 33.365 54.583 -25.327 1.00 24.31 C ATOM 807 CG GLN A 56 33.747 54.329 -23.879 1.00 3.12 C ATOM 808 CD GLN A 56 35.242 54.166 -23.693 1.00 23.51 C ATOM 809 OE1 GLN A 56 36.042 54.756 -24.419 1.00 22.43 O ATOM 810 NE2 GLN A 56 35.629 53.351 -22.727 1.00 51.20 N ATOM 0 H GLN A 56 31.933 52.553 -25.173 1.00 32.54 H new ATOM 0 HA GLN A 56 31.421 55.362 -24.904 1.00 40.22 H new ATOM 0 HB2 GLN A 56 33.808 53.808 -25.953 1.00 24.31 H new ATOM 0 HB3 GLN A 56 33.792 55.534 -25.646 1.00 24.31 H new ATOM 0 HG2 GLN A 56 33.396 55.157 -23.263 1.00 3.12 H new ATOM 0 HG3 GLN A 56 33.240 53.431 -23.525 1.00 3.12 H new ATOM 0 HE21 GLN A 56 34.934 52.881 -22.147 1.00 51.20 H new ATOM 0 HE22 GLN A 56 36.623 53.192 -22.561 1.00 51.20 H new ATOM 819 N ALA A 57 31.619 53.987 -27.881 1.00 43.12 N ATOM 820 CA ALA A 57 31.258 54.175 -29.276 1.00 74.22 C ATOM 821 C ALA A 57 29.765 54.465 -29.394 1.00 13.44 C ATOM 822 O ALA A 57 29.323 55.164 -30.307 1.00 44.41 O ATOM 823 CB ALA A 57 31.635 52.950 -30.095 1.00 32.32 C ATOM 0 H ALA A 57 31.917 53.040 -27.646 1.00 43.12 H new ATOM 0 HA ALA A 57 31.811 55.028 -29.670 1.00 74.22 H new ATOM 0 HB1 ALA A 57 31.357 53.109 -31.137 1.00 32.32 H new ATOM 0 HB2 ALA A 57 32.710 52.784 -30.028 1.00 32.32 H new ATOM 0 HB3 ALA A 57 31.108 52.078 -29.708 1.00 32.32 H new ATOM 829 N ILE A 58 28.993 53.929 -28.452 1.00 52.41 N ATOM 830 CA ILE A 58 27.561 54.180 -28.403 1.00 43.42 C ATOM 831 C ILE A 58 27.288 55.657 -28.142 1.00 42.32 C ATOM 832 O ILE A 58 26.384 56.245 -28.732 1.00 2.22 O ATOM 833 CB ILE A 58 26.858 53.327 -27.327 1.00 4.31 C ATOM 834 CG1 ILE A 58 27.117 51.839 -27.580 1.00 33.32 C ATOM 835 CG2 ILE A 58 25.359 53.618 -27.312 1.00 22.11 C ATOM 836 CD1 ILE A 58 26.268 50.915 -26.734 1.00 75.03 C ATOM 0 H ILE A 58 29.339 53.317 -27.713 1.00 52.41 H new ATOM 0 HA ILE A 58 27.154 53.897 -29.374 1.00 43.42 H new ATOM 0 HB ILE A 58 27.266 53.588 -26.351 1.00 4.31 H new ATOM 0 HG12 ILE A 58 26.934 51.622 -28.632 1.00 33.32 H new ATOM 0 HG13 ILE A 58 28.169 51.626 -27.389 1.00 33.32 H new ATOM 0 HG21 ILE A 58 24.878 53.008 -26.547 1.00 22.11 H new ATOM 0 HG22 ILE A 58 25.195 54.673 -27.091 1.00 22.11 H new ATOM 0 HG23 ILE A 58 24.933 53.381 -28.287 1.00 22.11 H new ATOM 0 HD11 ILE A 58 26.510 49.879 -26.972 1.00 75.03 H new ATOM 0 HD12 ILE A 58 26.468 51.102 -25.679 1.00 75.03 H new ATOM 0 HD13 ILE A 58 25.214 51.098 -26.941 1.00 75.03 H new ATOM 848 N GLN A 59 28.092 56.259 -27.273 1.00 20.32 N ATOM 849 CA GLN A 59 27.957 57.676 -26.955 1.00 43.14 C ATOM 850 C GLN A 59 28.093 58.522 -28.220 1.00 30.01 C ATOM 851 O GLN A 59 27.325 59.462 -28.438 1.00 22.32 O ATOM 852 CB GLN A 59 29.009 58.093 -25.926 1.00 0.24 C ATOM 853 CG GLN A 59 28.957 57.280 -24.641 1.00 33.03 C ATOM 854 CD GLN A 59 30.013 57.704 -23.640 1.00 32.54 C ATOM 855 OE1 GLN A 59 30.402 58.869 -23.586 1.00 24.13 O ATOM 856 NE2 GLN A 59 30.482 56.760 -22.838 1.00 51.23 N ATOM 0 H GLN A 59 28.846 55.786 -26.775 1.00 20.32 H new ATOM 0 HA GLN A 59 26.967 57.841 -26.530 1.00 43.14 H new ATOM 0 HB2 GLN A 59 29.999 57.993 -26.370 1.00 0.24 H new ATOM 0 HB3 GLN A 59 28.872 59.147 -25.685 1.00 0.24 H new ATOM 0 HG2 GLN A 59 27.971 57.384 -24.189 1.00 33.03 H new ATOM 0 HG3 GLN A 59 29.089 56.224 -24.878 1.00 33.03 H new ATOM 0 HE21 GLN A 59 30.132 55.805 -22.915 1.00 51.23 H new ATOM 0 HE22 GLN A 59 31.193 56.988 -22.143 1.00 51.23 H new ATOM 865 N SER A 60 29.055 58.161 -29.064 1.00 51.04 N ATOM 866 CA SER A 60 29.269 58.848 -30.329 1.00 11.41 C ATOM 867 C SER A 60 28.034 58.735 -31.216 1.00 54.31 C ATOM 868 O SER A 60 27.576 59.722 -31.797 1.00 71.15 O ATOM 869 CB SER A 60 30.465 58.243 -31.056 1.00 73.34 C ATOM 870 OG SER A 60 31.564 58.060 -30.182 1.00 3.51 O ATOM 0 H SER A 60 29.701 57.391 -28.891 1.00 51.04 H new ATOM 0 HA SER A 60 29.462 59.900 -30.118 1.00 11.41 H new ATOM 0 HB2 SER A 60 30.181 57.285 -31.491 1.00 73.34 H new ATOM 0 HB3 SER A 60 30.758 58.893 -31.880 1.00 73.34 H new ATOM 0 HG SER A 60 32.314 57.669 -30.677 1.00 3.51 H new ATOM 876 N GLN A 61 27.484 57.525 -31.293 1.00 30.10 N ATOM 877 CA GLN A 61 26.343 57.256 -32.157 1.00 24.42 C ATOM 878 C GLN A 61 25.039 57.705 -31.493 1.00 14.32 C ATOM 879 O GLN A 61 23.947 57.425 -31.983 1.00 1.12 O ATOM 880 CB GLN A 61 26.283 55.769 -32.532 1.00 64.21 C ATOM 881 CG GLN A 61 25.932 54.847 -31.377 1.00 32.32 C ATOM 882 CD GLN A 61 26.057 53.372 -31.726 1.00 64.01 C ATOM 883 OE1 GLN A 61 27.012 53.029 -32.579 1.00 52.54 O flip ATOM 884 NE2 GLN A 61 25.308 52.541 -31.213 1.00 61.52 N flip ATOM 0 H GLN A 61 27.813 56.716 -30.766 1.00 30.10 H new ATOM 0 HA GLN A 61 26.469 57.831 -33.074 1.00 24.42 H new ATOM 0 HB2 GLN A 61 25.547 55.636 -33.325 1.00 64.21 H new ATOM 0 HB3 GLN A 61 27.249 55.470 -32.940 1.00 64.21 H new ATOM 0 HG2 GLN A 61 26.584 55.070 -30.532 1.00 32.32 H new ATOM 0 HG3 GLN A 61 24.911 55.052 -31.055 1.00 32.32 H new ATOM 0 HE21 GLN A 61 24.584 52.841 -30.560 1.00 61.52 H new ATOM 0 HE22 GLN A 61 25.411 51.552 -31.440 1.00 61.52 H new ATOM 893 N ILE A 62 25.160 58.386 -30.363 1.00 25.21 N ATOM 894 CA ILE A 62 24.030 59.078 -29.762 1.00 60.23 C ATOM 895 C ILE A 62 24.126 60.561 -30.092 1.00 4.22 C ATOM 896 O ILE A 62 23.221 61.136 -30.696 1.00 73.53 O ATOM 897 CB ILE A 62 23.969 58.890 -28.226 1.00 31.41 C ATOM 898 CG1 ILE A 62 23.708 57.424 -27.876 1.00 75.12 C ATOM 899 CG2 ILE A 62 22.885 59.776 -27.618 1.00 11.33 C ATOM 900 CD1 ILE A 62 23.740 57.139 -26.390 1.00 54.33 C ATOM 0 H ILE A 62 26.033 58.474 -29.842 1.00 25.21 H new ATOM 0 HA ILE A 62 23.117 58.648 -30.175 1.00 60.23 H new ATOM 0 HB ILE A 62 24.932 59.184 -27.809 1.00 31.41 H new ATOM 0 HG12 ILE A 62 22.735 57.133 -28.272 1.00 75.12 H new ATOM 0 HG13 ILE A 62 24.453 56.803 -28.372 1.00 75.12 H new ATOM 0 HG21 ILE A 62 22.858 59.629 -26.538 1.00 11.33 H new ATOM 0 HG22 ILE A 62 23.104 60.821 -27.837 1.00 11.33 H new ATOM 0 HG23 ILE A 62 21.917 59.511 -28.044 1.00 11.33 H new ATOM 0 HD11 ILE A 62 23.547 56.080 -26.218 1.00 54.33 H new ATOM 0 HD12 ILE A 62 24.721 57.398 -25.991 1.00 54.33 H new ATOM 0 HD13 ILE A 62 22.976 57.733 -25.889 1.00 54.33 H new ATOM 912 N LEU A 63 25.262 61.158 -29.735 1.00 64.35 N ATOM 913 CA LEU A 63 25.504 62.576 -29.976 1.00 53.53 C ATOM 914 C LEU A 63 25.416 62.902 -31.465 1.00 34.31 C ATOM 915 O LEU A 63 24.851 63.922 -31.858 1.00 74.53 O ATOM 916 CB LEU A 63 26.882 62.977 -29.437 1.00 24.15 C ATOM 917 CG LEU A 63 27.097 62.737 -27.937 1.00 14.34 C ATOM 918 CD1 LEU A 63 28.513 63.113 -27.536 1.00 52.54 C ATOM 919 CD2 LEU A 63 26.086 63.526 -27.117 1.00 61.01 C ATOM 0 H LEU A 63 26.034 60.676 -29.274 1.00 64.35 H new ATOM 0 HA LEU A 63 24.734 63.143 -29.453 1.00 53.53 H new ATOM 0 HB2 LEU A 63 27.644 62.426 -29.989 1.00 24.15 H new ATOM 0 HB3 LEU A 63 27.041 64.035 -29.645 1.00 24.15 H new ATOM 0 HG LEU A 63 26.950 61.676 -27.736 1.00 14.34 H new ATOM 0 HD11 LEU A 63 28.648 62.936 -26.469 1.00 52.54 H new ATOM 0 HD12 LEU A 63 29.223 62.506 -28.097 1.00 52.54 H new ATOM 0 HD13 LEU A 63 28.685 64.167 -27.754 1.00 52.54 H new ATOM 0 HD21 LEU A 63 26.255 63.342 -26.056 1.00 61.01 H new ATOM 0 HD22 LEU A 63 26.201 64.590 -27.324 1.00 61.01 H new ATOM 0 HD23 LEU A 63 25.077 63.212 -27.383 1.00 61.01 H new ATOM 931 N GLY A 64 25.974 62.026 -32.289 1.00 54.14 N ATOM 932 CA GLY A 64 25.923 62.223 -33.724 1.00 43.53 C ATOM 933 C GLY A 64 24.994 61.239 -34.404 1.00 42.50 C ATOM 934 O GLY A 64 24.806 61.283 -35.619 1.00 45.41 O ATOM 0 H GLY A 64 26.462 61.182 -31.989 1.00 54.14 H new ATOM 0 HA2 GLY A 64 25.592 63.239 -33.938 1.00 43.53 H new ATOM 0 HA3 GLY A 64 26.926 62.120 -34.139 1.00 43.53 H new ATOM 938 N GLY A 65 24.393 60.360 -33.613 1.00 25.24 N ATOM 939 CA GLY A 65 23.536 59.328 -34.164 1.00 5.50 C ATOM 940 C GLY A 65 22.116 59.806 -34.374 1.00 33.53 C ATOM 941 O GLY A 65 21.380 59.244 -35.184 1.00 11.34 O ATOM 0 H GLY A 65 24.484 60.343 -32.597 1.00 25.24 H new ATOM 0 HA2 GLY A 65 23.946 58.989 -35.115 1.00 5.50 H new ATOM 0 HA3 GLY A 65 23.531 58.468 -33.494 1.00 5.50 H new ATOM 945 N LEU A 66 21.733 60.853 -33.651 1.00 53.33 N ATOM 946 CA LEU A 66 20.414 61.450 -33.814 1.00 72.23 C ATOM 947 C LEU A 66 20.240 61.948 -35.247 1.00 34.12 C ATOM 948 O LEU A 66 19.138 61.935 -35.793 1.00 33.03 O ATOM 949 CB LEU A 66 20.219 62.605 -32.826 1.00 31.31 C ATOM 950 CG LEU A 66 20.321 62.223 -31.348 1.00 64.21 C ATOM 951 CD1 LEU A 66 20.150 63.448 -30.466 1.00 22.03 C ATOM 952 CD2 LEU A 66 19.282 61.166 -30.999 1.00 65.03 C ATOM 0 H LEU A 66 22.317 61.305 -32.947 1.00 53.33 H new ATOM 0 HA LEU A 66 19.661 60.690 -33.608 1.00 72.23 H new ATOM 0 HB2 LEU A 66 20.963 63.373 -33.038 1.00 31.31 H new ATOM 0 HB3 LEU A 66 19.240 63.052 -33.003 1.00 31.31 H new ATOM 0 HG LEU A 66 21.312 61.807 -31.168 1.00 64.21 H new ATOM 0 HD11 LEU A 66 20.226 63.156 -29.419 1.00 22.03 H new ATOM 0 HD12 LEU A 66 20.929 64.174 -30.697 1.00 22.03 H new ATOM 0 HD13 LEU A 66 19.172 63.894 -30.648 1.00 22.03 H new ATOM 0 HD21 LEU A 66 19.368 60.905 -29.944 1.00 65.03 H new ATOM 0 HD22 LEU A 66 18.284 61.558 -31.196 1.00 65.03 H new ATOM 0 HD23 LEU A 66 19.449 60.277 -31.607 1.00 65.03 H new ATOM 964 N LEU A 67 21.355 62.350 -35.853 1.00 53.21 N ATOM 965 CA LEU A 67 21.367 62.832 -37.229 1.00 64.45 C ATOM 966 C LEU A 67 21.039 61.701 -38.199 1.00 60.43 C ATOM 967 O LEU A 67 20.414 61.915 -39.236 1.00 44.24 O ATOM 968 CB LEU A 67 22.740 63.416 -37.558 1.00 51.43 C ATOM 969 CG LEU A 67 23.196 64.553 -36.642 1.00 3.00 C ATOM 970 CD1 LEU A 67 24.633 64.936 -36.943 1.00 70.32 C ATOM 971 CD2 LEU A 67 22.282 65.760 -36.794 1.00 22.21 C ATOM 0 H LEU A 67 22.271 62.350 -35.405 1.00 53.21 H new ATOM 0 HA LEU A 67 20.608 63.607 -37.333 1.00 64.45 H new ATOM 0 HB2 LEU A 67 23.479 62.616 -37.514 1.00 51.43 H new ATOM 0 HB3 LEU A 67 22.726 63.781 -38.585 1.00 51.43 H new ATOM 0 HG LEU A 67 23.140 64.205 -35.610 1.00 3.00 H new ATOM 0 HD11 LEU A 67 24.940 65.746 -36.282 1.00 70.32 H new ATOM 0 HD12 LEU A 67 25.280 64.073 -36.785 1.00 70.32 H new ATOM 0 HD13 LEU A 67 24.713 65.264 -37.979 1.00 70.32 H new ATOM 0 HD21 LEU A 67 22.622 66.559 -36.135 1.00 22.21 H new ATOM 0 HD22 LEU A 67 22.306 66.107 -37.827 1.00 22.21 H new ATOM 0 HD23 LEU A 67 21.262 65.480 -36.529 1.00 22.21 H new ATOM 983 N SER A 68 21.456 60.493 -37.847 1.00 40.32 N ATOM 984 CA SER A 68 21.194 59.325 -38.672 1.00 11.31 C ATOM 985 C SER A 68 19.723 58.924 -38.575 1.00 75.02 C ATOM 986 O SER A 68 19.132 58.437 -39.539 1.00 75.11 O ATOM 987 CB SER A 68 22.085 58.163 -38.226 1.00 0.14 C ATOM 988 OG SER A 68 23.435 58.577 -38.086 1.00 4.11 O ATOM 0 H SER A 68 21.978 60.297 -36.993 1.00 40.32 H new ATOM 0 HA SER A 68 21.420 59.570 -39.710 1.00 11.31 H new ATOM 0 HB2 SER A 68 21.723 57.767 -37.277 1.00 0.14 H new ATOM 0 HB3 SER A 68 22.023 57.354 -38.954 1.00 0.14 H new ATOM 0 HG SER A 68 23.982 57.816 -37.799 1.00 4.11 H new ATOM 994 N ASN A 69 19.131 59.159 -37.411 1.00 22.22 N ATOM 995 CA ASN A 69 17.748 58.767 -37.165 1.00 3.21 C ATOM 996 C ASN A 69 16.776 59.886 -37.518 1.00 33.23 C ATOM 997 O ASN A 69 15.589 59.809 -37.202 1.00 41.32 O ATOM 998 CB ASN A 69 17.560 58.335 -35.706 1.00 53.44 C ATOM 999 CG ASN A 69 18.190 56.982 -35.422 1.00 25.14 C ATOM 1000 OD1 ASN A 69 18.272 56.126 -36.304 1.00 41.35 O ATOM 1001 ND2 ASN A 69 18.631 56.776 -34.192 1.00 2.13 N ATOM 0 H ASN A 69 19.586 59.619 -36.622 1.00 22.22 H new ATOM 0 HA ASN A 69 17.527 57.919 -37.813 1.00 3.21 H new ATOM 0 HB2 ASN A 69 18.000 59.084 -35.048 1.00 53.44 H new ATOM 0 HB3 ASN A 69 16.495 58.294 -35.475 1.00 53.44 H new ATOM 0 HD21 ASN A 69 19.057 55.883 -33.946 1.00 2.13 H new ATOM 0 HD22 ASN A 69 18.545 57.511 -33.490 1.00 2.13 H new ATOM 1008 N ILE A 70 17.278 60.921 -38.187 1.00 71.41 N ATOM 1009 CA ILE A 70 16.426 61.998 -38.683 1.00 54.25 C ATOM 1010 C ILE A 70 15.491 61.466 -39.767 1.00 15.54 C ATOM 1011 O ILE A 70 14.341 61.892 -39.882 1.00 23.53 O ATOM 1012 CB ILE A 70 17.260 63.178 -39.244 1.00 3.10 C ATOM 1013 CG1 ILE A 70 18.059 63.851 -38.128 1.00 23.53 C ATOM 1014 CG2 ILE A 70 16.372 64.201 -39.944 1.00 12.32 C ATOM 1015 CD1 ILE A 70 17.202 64.412 -37.011 1.00 42.43 C ATOM 0 H ILE A 70 18.269 61.036 -38.398 1.00 71.41 H new ATOM 0 HA ILE A 70 15.841 62.371 -37.842 1.00 54.25 H new ATOM 0 HB ILE A 70 17.954 62.772 -39.979 1.00 3.10 H new ATOM 0 HG12 ILE A 70 18.758 63.128 -37.708 1.00 23.53 H new ATOM 0 HG13 ILE A 70 18.654 64.658 -38.556 1.00 23.53 H new ATOM 0 HG21 ILE A 70 16.987 65.016 -40.326 1.00 12.32 H new ATOM 0 HG22 ILE A 70 15.848 63.723 -40.772 1.00 12.32 H new ATOM 0 HG23 ILE A 70 15.645 64.597 -39.235 1.00 12.32 H new ATOM 0 HD11 ILE A 70 17.841 64.873 -36.258 1.00 42.43 H new ATOM 0 HD12 ILE A 70 16.521 65.160 -37.416 1.00 42.43 H new ATOM 0 HD13 ILE A 70 16.626 63.607 -36.554 1.00 42.43 H new ATOM 1129 N MET A 78 18.921 44.168 -40.572 1.00 12.00 N ATOM 1130 CA MET A 78 19.211 42.782 -40.892 1.00 2.03 C ATOM 1131 C MET A 78 19.981 42.136 -39.746 1.00 70.13 C ATOM 1132 O MET A 78 21.105 42.532 -39.437 1.00 44.34 O ATOM 1133 CB MET A 78 20.004 42.690 -42.196 1.00 63.14 C ATOM 1134 CG MET A 78 20.325 41.265 -42.622 1.00 52.15 C ATOM 1135 SD MET A 78 21.143 41.197 -44.229 1.00 73.31 S ATOM 1136 CE MET A 78 19.886 41.920 -45.282 1.00 35.54 C ATOM 0 HA MET A 78 18.272 42.246 -41.028 1.00 2.03 H new ATOM 0 HB2 MET A 78 19.438 43.177 -42.990 1.00 63.14 H new ATOM 0 HB3 MET A 78 20.936 43.244 -42.083 1.00 63.14 H new ATOM 0 HG2 MET A 78 20.964 40.799 -41.872 1.00 52.15 H new ATOM 0 HG3 MET A 78 19.404 40.684 -42.661 1.00 52.15 H new ATOM 0 HE1 MET A 78 19.869 41.398 -46.239 1.00 35.54 H new ATOM 0 HE2 MET A 78 18.912 41.829 -44.801 1.00 35.54 H new ATOM 0 HE3 MET A 78 20.112 42.974 -45.447 1.00 35.54 H new ATOM 1146 N VAL A 79 19.362 41.154 -39.111 1.00 63.22 N ATOM 1147 CA VAL A 79 19.966 40.482 -37.972 1.00 53.31 C ATOM 1148 C VAL A 79 20.835 39.319 -38.436 1.00 34.33 C ATOM 1149 O VAL A 79 20.335 38.324 -38.963 1.00 23.05 O ATOM 1150 CB VAL A 79 18.899 39.968 -36.982 1.00 51.15 C ATOM 1151 CG1 VAL A 79 19.546 39.273 -35.793 1.00 62.34 C ATOM 1152 CG2 VAL A 79 18.014 41.112 -36.512 1.00 20.14 C ATOM 0 H VAL A 79 18.439 40.804 -39.366 1.00 63.22 H new ATOM 0 HA VAL A 79 20.586 41.215 -37.456 1.00 53.31 H new ATOM 0 HB VAL A 79 18.279 39.239 -37.503 1.00 51.15 H new ATOM 0 HG11 VAL A 79 18.771 38.921 -35.112 1.00 62.34 H new ATOM 0 HG12 VAL A 79 20.134 38.425 -36.143 1.00 62.34 H new ATOM 0 HG13 VAL A 79 20.197 39.975 -35.271 1.00 62.34 H new ATOM 0 HG21 VAL A 79 17.267 40.732 -35.815 1.00 20.14 H new ATOM 0 HG22 VAL A 79 18.626 41.864 -36.014 1.00 20.14 H new ATOM 0 HG23 VAL A 79 17.514 41.561 -37.370 1.00 20.14 H new ATOM 1162 N THR A 80 22.139 39.467 -38.264 1.00 24.24 N ATOM 1163 CA THR A 80 23.088 38.431 -38.629 1.00 43.31 C ATOM 1164 C THR A 80 24.050 38.176 -37.467 1.00 22.22 C ATOM 1165 O THR A 80 24.491 39.112 -36.804 1.00 20.53 O ATOM 1166 CB THR A 80 23.882 38.845 -39.887 1.00 4.42 C ATOM 1167 OG1 THR A 80 22.978 39.257 -40.921 1.00 23.43 O ATOM 1168 CG2 THR A 80 24.741 37.702 -40.400 1.00 23.11 C ATOM 0 H THR A 80 22.566 40.305 -37.869 1.00 24.24 H new ATOM 0 HA THR A 80 22.539 37.516 -38.849 1.00 43.31 H new ATOM 0 HB THR A 80 24.536 39.673 -39.611 1.00 4.42 H new ATOM 0 HG1 THR A 80 23.488 39.520 -41.716 1.00 23.43 H new ATOM 0 HG21 THR A 80 25.287 38.026 -41.286 1.00 23.11 H new ATOM 0 HG22 THR A 80 25.449 37.403 -39.627 1.00 23.11 H new ATOM 0 HG23 THR A 80 24.105 36.855 -40.656 1.00 23.11 H new ATOM 1176 N ASN A 81 24.363 36.914 -37.213 1.00 12.13 N ATOM 1177 CA ASN A 81 25.270 36.549 -36.124 1.00 13.33 C ATOM 1178 C ASN A 81 26.689 37.021 -36.410 1.00 53.52 C ATOM 1179 O ASN A 81 27.488 37.216 -35.494 1.00 72.31 O ATOM 1180 CB ASN A 81 25.264 35.033 -35.899 1.00 31.34 C ATOM 1181 CG ASN A 81 24.007 34.548 -35.203 1.00 23.22 C ATOM 1182 OD1 ASN A 81 23.429 35.251 -34.374 1.00 55.05 O ATOM 1183 ND2 ASN A 81 23.578 33.340 -35.532 1.00 51.02 N ATOM 0 H ASN A 81 24.004 36.121 -37.745 1.00 12.13 H new ATOM 0 HA ASN A 81 24.915 37.044 -35.220 1.00 13.33 H new ATOM 0 HB2 ASN A 81 25.360 34.527 -36.860 1.00 31.34 H new ATOM 0 HB3 ASN A 81 26.134 34.755 -35.304 1.00 31.34 H new ATOM 0 HD21 ASN A 81 22.739 32.960 -35.094 1.00 51.02 H new ATOM 0 HD22 ASN A 81 24.086 32.789 -36.224 1.00 51.02 H new ATOM 1190 N ASP A 82 26.994 37.216 -37.683 1.00 32.11 N ATOM 1191 CA ASP A 82 28.333 37.620 -38.088 1.00 24.13 C ATOM 1192 C ASP A 82 28.419 39.125 -38.306 1.00 61.51 C ATOM 1193 O ASP A 82 29.510 39.692 -38.298 1.00 75.51 O ATOM 1194 CB ASP A 82 28.750 36.906 -39.376 1.00 23.52 C ATOM 1195 CG ASP A 82 28.641 35.399 -39.283 1.00 72.21 C ATOM 1196 OD1 ASP A 82 27.723 34.832 -39.916 1.00 63.25 O ATOM 1197 OD2 ASP A 82 29.469 34.780 -38.587 1.00 30.43 O1- ATOM 0 H ASP A 82 26.335 37.102 -38.453 1.00 32.11 H new ATOM 0 HA ASP A 82 29.009 37.341 -37.280 1.00 24.13 H new ATOM 0 HB2 ASP A 82 28.127 37.259 -40.198 1.00 23.52 H new ATOM 0 HB3 ASP A 82 29.778 37.176 -39.617 1.00 23.52 H new ATOM 1202 N TYR A 83 27.274 39.777 -38.494 1.00 2.10 N ATOM 1203 CA TYR A 83 27.264 41.181 -38.890 1.00 61.22 C ATOM 1204 C TYR A 83 26.113 41.956 -38.261 1.00 25.13 C ATOM 1205 O TYR A 83 24.983 41.475 -38.200 1.00 35.42 O ATOM 1206 CB TYR A 83 27.168 41.300 -40.416 1.00 22.35 C ATOM 1207 CG TYR A 83 28.428 40.877 -41.133 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.606 39.573 -41.580 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.452 41.784 -41.337 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.777 39.190 -42.202 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.618 41.412 -41.966 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.777 40.116 -42.393 1.00 0.23 C ATOM 1213 OH TYR A 83 31.951 39.746 -42.991 1.00 35.22 O ATOM 0 H TYR A 83 26.350 39.360 -38.380 1.00 2.10 H new ATOM 0 HA TYR A 83 28.198 41.614 -38.532 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.336 40.690 -40.769 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.939 42.333 -40.678 1.00 22.35 H new ATOM 0 HD1 TYR A 83 27.817 38.849 -41.439 1.00 54.31 H new ATOM 0 HD2 TYR A 83 29.334 42.802 -40.997 1.00 61.31 H new ATOM 0 HE1 TYR A 83 29.908 38.171 -42.536 1.00 54.50 H new ATOM 0 HE2 TYR A 83 31.404 42.135 -42.123 1.00 43.02 H new ATOM 0 HH TYR A 83 32.701 39.952 -42.395 1.00 35.22 H new ATOM 1223 N ILE A 84 26.416 43.157 -37.787 1.00 71.04 N ATOM 1224 CA ILE A 84 25.394 44.098 -37.356 1.00 33.43 C ATOM 1225 C ILE A 84 25.145 45.080 -38.490 1.00 24.33 C ATOM 1226 O ILE A 84 25.979 45.946 -38.759 1.00 13.30 O ATOM 1227 CB ILE A 84 25.803 44.899 -36.089 1.00 35.11 C ATOM 1228 CG1 ILE A 84 26.218 43.974 -34.937 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.659 45.803 -35.648 1.00 63.41 C ATOM 1230 CD1 ILE A 84 27.643 43.463 -35.034 1.00 21.15 C ATOM 0 H ILE A 84 27.371 43.504 -37.691 1.00 71.04 H new ATOM 0 HA ILE A 84 24.501 43.526 -37.104 1.00 33.43 H new ATOM 0 HB ILE A 84 26.668 45.509 -36.350 1.00 35.11 H new ATOM 0 HG12 ILE A 84 26.099 44.509 -33.995 1.00 70.51 H new ATOM 0 HG13 ILE A 84 25.539 43.122 -34.907 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.957 46.359 -34.759 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.417 46.501 -36.449 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.783 45.196 -35.419 1.00 63.41 H new ATOM 0 HD11 ILE A 84 27.857 42.817 -34.183 1.00 21.15 H new ATOM 0 HD12 ILE A 84 27.765 42.898 -35.958 1.00 21.15 H new ATOM 0 HD13 ILE A 84 28.333 44.307 -35.031 1.00 21.15 H new ATOM 1242 N VAL A 85 24.027 44.935 -39.175 1.00 45.21 N ATOM 1243 CA VAL A 85 23.760 45.758 -40.340 1.00 41.00 C ATOM 1244 C VAL A 85 22.322 46.276 -40.350 1.00 52.13 C ATOM 1245 O VAL A 85 21.374 45.540 -40.061 1.00 43.50 O ATOM 1246 CB VAL A 85 24.072 44.984 -41.645 1.00 62.43 C ATOM 1247 CG1 VAL A 85 23.322 43.661 -41.695 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.752 45.826 -42.870 1.00 64.33 C ATOM 0 H VAL A 85 23.295 44.262 -38.948 1.00 45.21 H new ATOM 0 HA VAL A 85 24.420 46.623 -40.285 1.00 41.00 H new ATOM 0 HB VAL A 85 25.140 44.767 -41.650 1.00 62.43 H new ATOM 0 HG11 VAL A 85 23.562 43.142 -42.623 1.00 1.04 H new ATOM 0 HG12 VAL A 85 23.617 43.043 -40.847 1.00 1.04 H new ATOM 0 HG13 VAL A 85 22.249 43.849 -41.651 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.981 45.258 -43.772 1.00 64.33 H new ATOM 0 HG22 VAL A 85 22.694 46.088 -42.865 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.352 46.736 -42.853 1.00 64.33 H new ATOM 1258 N ASP A 86 22.179 47.555 -40.667 1.00 31.13 N ATOM 1259 CA ASP A 86 20.875 48.204 -40.731 1.00 20.21 C ATOM 1260 C ASP A 86 20.736 48.917 -42.070 1.00 24.31 C ATOM 1261 O ASP A 86 21.717 49.447 -42.595 1.00 74.51 O ATOM 1262 CB ASP A 86 20.731 49.207 -39.576 1.00 4.42 C ATOM 1263 CG ASP A 86 19.347 49.826 -39.490 1.00 33.31 C ATOM 1264 OD1 ASP A 86 18.491 49.280 -38.762 1.00 21.44 O ATOM 1265 OD2 ASP A 86 19.111 50.876 -40.118 1.00 45.22 O1- ATOM 0 H ASP A 86 22.961 48.172 -40.887 1.00 31.13 H new ATOM 0 HA ASP A 86 20.089 47.455 -40.639 1.00 20.21 H new ATOM 0 HB2 ASP A 86 20.956 48.703 -38.636 1.00 4.42 H new ATOM 0 HB3 ASP A 86 21.469 49.999 -39.697 1.00 4.42 H new ATOM 1270 N ILE A 87 19.536 48.911 -42.637 1.00 70.13 N ATOM 1271 CA ILE A 87 19.298 49.579 -43.907 1.00 11.31 C ATOM 1272 C ILE A 87 18.741 50.971 -43.648 1.00 5.45 C ATOM 1273 O ILE A 87 17.524 51.172 -43.591 1.00 31.44 O ATOM 1274 CB ILE A 87 18.329 48.795 -44.838 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.838 47.375 -45.123 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.132 49.541 -46.154 1.00 33.35 C ATOM 1277 CD1 ILE A 87 18.558 46.375 -44.013 1.00 31.30 C ATOM 0 H ILE A 87 18.717 48.453 -42.238 1.00 70.13 H new ATOM 0 HA ILE A 87 20.256 49.635 -44.424 1.00 11.31 H new ATOM 0 HB ILE A 87 17.374 48.716 -44.318 1.00 73.15 H new ATOM 0 HG12 ILE A 87 18.379 47.015 -46.044 1.00 41.53 H new ATOM 0 HG13 ILE A 87 19.913 47.415 -45.297 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.451 48.978 -46.793 1.00 33.35 H new ATOM 0 HG22 ILE A 87 17.711 50.526 -45.954 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.093 49.652 -46.657 1.00 33.35 H new ATOM 0 HD11 ILE A 87 18.950 45.398 -44.296 1.00 31.30 H new ATOM 0 HD12 ILE A 87 19.040 46.707 -43.094 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.482 46.301 -43.852 1.00 31.30 H new ATOM 1289 N ALA A 88 19.638 51.923 -43.458 1.00 34.53 N ATOM 1290 CA ALA A 88 19.253 53.278 -43.111 1.00 21.21 C ATOM 1291 C ALA A 88 19.405 54.214 -44.298 1.00 23.43 C ATOM 1292 O ALA A 88 20.454 54.259 -44.938 1.00 54.14 O ATOM 1293 CB ALA A 88 20.088 53.769 -41.938 1.00 40.44 C ATOM 0 H ALA A 88 20.645 51.780 -43.539 1.00 34.53 H new ATOM 0 HA ALA A 88 18.201 53.272 -42.824 1.00 21.21 H new ATOM 0 HB1 ALA A 88 19.794 54.787 -41.683 1.00 40.44 H new ATOM 0 HB2 ALA A 88 19.926 53.118 -41.079 1.00 40.44 H new ATOM 0 HB3 ALA A 88 21.143 53.754 -42.211 1.00 40.44 H new ATOM 1299 N ASN A 89 18.352 54.951 -44.606 1.00 52.24 N ATOM 1300 CA ASN A 89 18.420 55.962 -45.645 1.00 21.13 C ATOM 1301 C ASN A 89 18.974 57.245 -45.052 1.00 22.12 C ATOM 1302 O ASN A 89 18.368 57.842 -44.166 1.00 62.21 O ATOM 1303 CB ASN A 89 17.037 56.213 -46.263 1.00 44.43 C ATOM 1304 CG ASN A 89 17.055 57.236 -47.398 1.00 51.24 C ATOM 1305 OD1 ASN A 89 17.854 58.173 -47.413 1.00 34.21 O ATOM 1306 ND2 ASN A 89 16.165 57.062 -48.360 1.00 52.10 N ATOM 0 H ASN A 89 17.442 54.868 -44.152 1.00 52.24 H new ATOM 0 HA ASN A 89 19.078 55.610 -46.440 1.00 21.13 H new ATOM 0 HB2 ASN A 89 16.639 55.271 -46.640 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.357 56.558 -45.484 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.127 57.714 -49.143 1.00 52.10 H new ATOM 0 HD22 ASN A 89 15.517 56.276 -48.319 1.00 52.10 H new ATOM 1313 N ARG A 90 20.133 57.656 -45.521 1.00 34.23 N ATOM 1314 CA ARG A 90 20.726 58.889 -45.059 1.00 61.53 C ATOM 1315 C ARG A 90 21.161 59.729 -46.243 1.00 14.51 C ATOM 1316 O ARG A 90 21.768 59.215 -47.186 1.00 31.12 O ATOM 1317 CB ARG A 90 21.909 58.618 -44.130 1.00 1.00 C ATOM 1318 CG ARG A 90 22.469 59.885 -43.505 1.00 75.44 C ATOM 1319 CD ARG A 90 23.567 59.593 -42.499 1.00 14.21 C ATOM 1320 NE ARG A 90 24.079 60.824 -41.904 1.00 45.22 N ATOM 1321 CZ ARG A 90 25.142 60.891 -41.111 1.00 45.51 C ATOM 1322 NH1 ARG A 90 25.794 59.788 -40.774 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 25.532 62.068 -40.641 1.00 21.12 N ATOM 0 H ARG A 90 20.681 57.155 -46.220 1.00 34.23 H new ATOM 0 HA ARG A 90 19.976 59.439 -44.490 1.00 61.53 H new ATOM 0 HB2 ARG A 90 21.596 57.936 -43.339 1.00 1.00 H new ATOM 0 HB3 ARG A 90 22.697 58.115 -44.690 1.00 1.00 H new ATOM 0 HG2 ARG A 90 22.861 60.532 -44.290 1.00 75.44 H new ATOM 0 HG3 ARG A 90 21.664 60.431 -43.013 1.00 75.44 H new ATOM 0 HD2 ARG A 90 23.182 58.940 -41.716 1.00 14.21 H new ATOM 0 HD3 ARG A 90 24.380 59.057 -42.989 1.00 14.21 H new ATOM 0 HE ARG A 90 23.586 61.693 -42.112 1.00 45.22 H new ATOM 0 HH11 ARG A 90 25.480 58.883 -41.124 1.00 34.45 H new ATOM 0 HH12 ARG A 90 26.610 59.844 -40.165 1.00 34.45 H new ATOM 0 HH21 ARG A 90 25.017 62.912 -40.889 1.00 21.12 H new ATOM 0 HH22 ARG A 90 26.347 62.129 -40.031 1.00 21.12 H new ATOM 1337 N ASP A 91 20.799 61.010 -46.199 1.00 14.33 N ATOM 1338 CA ASP A 91 21.143 61.972 -47.251 1.00 71.02 C ATOM 1339 C ASP A 91 20.396 61.643 -48.546 1.00 43.52 C ATOM 1340 O ASP A 91 20.672 62.203 -49.603 1.00 61.51 O ATOM 1341 CB ASP A 91 22.663 61.993 -47.483 1.00 34.34 C ATOM 1342 CG ASP A 91 23.142 63.274 -48.139 1.00 2.00 C ATOM 1343 OD1 ASP A 91 23.351 64.269 -47.413 1.00 21.24 O ATOM 1344 OD2 ASP A 91 23.330 63.289 -49.375 1.00 32.31 O1- ATOM 0 H ASP A 91 20.259 61.413 -45.434 1.00 14.33 H new ATOM 0 HA ASP A 91 20.835 62.966 -46.927 1.00 71.02 H new ATOM 0 HB2 ASP A 91 23.173 61.867 -46.528 1.00 34.34 H new ATOM 0 HB3 ASP A 91 22.942 61.144 -48.108 1.00 34.34 H new ATOM 1349 N GLY A 92 19.429 60.736 -48.439 1.00 75.32 N ATOM 1350 CA GLY A 92 18.632 60.341 -49.587 1.00 62.34 C ATOM 1351 C GLY A 92 19.132 59.060 -50.224 1.00 52.21 C ATOM 1352 O GLY A 92 18.570 58.587 -51.213 1.00 23.30 O ATOM 0 H GLY A 92 19.182 60.264 -47.569 1.00 75.32 H new ATOM 0 HA2 GLY A 92 17.595 60.209 -49.278 1.00 62.34 H new ATOM 0 HA3 GLY A 92 18.645 61.141 -50.327 1.00 62.34 H new ATOM 1356 N GLN A 93 20.192 58.497 -49.666 1.00 55.42 N ATOM 1357 CA GLN A 93 20.747 57.258 -50.181 1.00 43.03 C ATOM 1358 C GLN A 93 20.587 56.142 -49.163 1.00 53.23 C ATOM 1359 O GLN A 93 20.844 56.333 -47.973 1.00 62.41 O ATOM 1360 CB GLN A 93 22.232 57.429 -50.527 1.00 32.14 C ATOM 1361 CG GLN A 93 22.518 58.468 -51.605 1.00 62.32 C ATOM 1362 CD GLN A 93 22.392 57.932 -53.026 1.00 5.43 C ATOM 1363 OE1 GLN A 93 21.517 56.963 -53.239 1.00 25.23 O flip ATOM 1364 NE2 GLN A 93 23.086 58.391 -53.930 1.00 33.20 N flip ATOM 0 H GLN A 93 20.684 58.878 -48.858 1.00 55.42 H new ATOM 0 HA GLN A 93 20.202 56.997 -51.088 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.773 57.706 -49.622 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.628 56.468 -50.854 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.831 59.305 -51.480 1.00 62.32 H new ATOM 0 HG3 GLN A 93 23.526 58.858 -51.462 1.00 62.32 H new ATOM 0 HE21 GLN A 93 23.752 59.138 -53.733 1.00 33.20 H new ATOM 0 HE22 GLN A 93 22.997 58.025 -54.878 1.00 33.20 H new ATOM 1373 N LEU A 94 20.142 54.982 -49.631 1.00 22.14 N ATOM 1374 CA LEU A 94 20.072 53.802 -48.786 1.00 50.31 C ATOM 1375 C LEU A 94 21.482 53.366 -48.422 1.00 43.43 C ATOM 1376 O LEU A 94 22.240 52.893 -49.267 1.00 52.24 O ATOM 1377 CB LEU A 94 19.317 52.661 -49.484 1.00 41.23 C ATOM 1378 CG LEU A 94 17.786 52.781 -49.501 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.241 52.910 -48.087 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.332 53.955 -50.357 1.00 42.11 C ATOM 0 H LEU A 94 19.825 54.836 -50.590 1.00 22.14 H new ATOM 0 HA LEU A 94 19.521 54.050 -47.879 1.00 50.31 H new ATOM 0 HB2 LEU A 94 19.668 52.595 -50.514 1.00 41.23 H new ATOM 0 HB3 LEU A 94 19.583 51.723 -48.996 1.00 41.23 H new ATOM 0 HG LEU A 94 17.387 51.869 -49.945 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.155 52.994 -48.122 1.00 1.43 H new ATOM 0 HD12 LEU A 94 17.519 52.029 -47.508 1.00 1.43 H new ATOM 0 HD13 LEU A 94 17.659 53.800 -47.616 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.244 54.012 -50.348 1.00 42.11 H new ATOM 0 HD22 LEU A 94 17.747 54.880 -49.956 1.00 42.11 H new ATOM 0 HD23 LEU A 94 17.680 53.815 -51.381 1.00 42.11 H new ATOM 1392 N GLN A 95 21.836 53.564 -47.171 1.00 22.34 N ATOM 1393 CA GLN A 95 23.184 53.322 -46.713 1.00 52.10 C ATOM 1394 C GLN A 95 23.247 52.042 -45.890 1.00 55.53 C ATOM 1395 O GLN A 95 22.701 51.969 -44.791 1.00 20.22 O ATOM 1396 CB GLN A 95 23.652 54.536 -45.909 1.00 54.30 C ATOM 1397 CG GLN A 95 25.084 54.455 -45.416 1.00 4.25 C ATOM 1398 CD GLN A 95 25.666 55.814 -45.049 1.00 5.40 C ATOM 1399 OE1 GLN A 95 26.466 55.931 -44.119 1.00 14.41 O ATOM 1400 NE2 GLN A 95 25.312 56.847 -45.803 1.00 5.31 N ATOM 0 H GLN A 95 21.200 53.896 -46.446 1.00 22.34 H new ATOM 0 HA GLN A 95 23.850 53.185 -47.565 1.00 52.10 H new ATOM 0 HB2 GLN A 95 23.545 55.427 -46.527 1.00 54.30 H new ATOM 0 HB3 GLN A 95 22.993 54.662 -45.050 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.126 53.801 -44.545 1.00 4.25 H new ATOM 0 HG3 GLN A 95 25.703 53.998 -46.188 1.00 4.25 H new ATOM 0 HE21 GLN A 95 24.647 56.718 -46.566 1.00 5.31 H new ATOM 0 HE22 GLN A 95 25.705 57.770 -45.620 1.00 5.31 H new ATOM 1409 N LEU A 96 23.888 51.028 -46.448 1.00 75.11 N ATOM 1410 CA LEU A 96 24.012 49.744 -45.783 1.00 53.33 C ATOM 1411 C LEU A 96 25.255 49.739 -44.900 1.00 12.32 C ATOM 1412 O LEU A 96 26.366 49.487 -45.369 1.00 51.50 O ATOM 1413 CB LEU A 96 24.095 48.622 -46.823 1.00 11.23 C ATOM 1414 CG LEU A 96 23.890 47.209 -46.283 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.438 46.999 -45.886 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.320 46.183 -47.318 1.00 11.35 C ATOM 0 H LEU A 96 24.332 51.071 -47.365 1.00 75.11 H new ATOM 0 HA LEU A 96 23.134 49.577 -45.158 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.348 48.809 -47.594 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.071 48.670 -47.306 1.00 11.23 H new ATOM 0 HG LEU A 96 24.508 47.080 -45.394 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.308 45.987 -45.503 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.165 47.717 -45.113 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.798 47.142 -46.757 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.169 45.180 -46.920 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.726 46.308 -48.223 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.375 46.324 -47.554 1.00 11.35 H new ATOM 1428 N ASN A 97 25.071 50.066 -43.629 1.00 24.34 N ATOM 1429 CA ASN A 97 26.180 50.110 -42.687 1.00 24.31 C ATOM 1430 C ASN A 97 26.434 48.727 -42.096 1.00 43.41 C ATOM 1431 O ASN A 97 25.697 48.269 -41.224 1.00 33.42 O ATOM 1432 CB ASN A 97 25.902 51.116 -41.564 1.00 32.34 C ATOM 1433 CG ASN A 97 25.711 52.532 -42.075 1.00 4.11 C ATOM 1434 OD1 ASN A 97 24.598 52.944 -42.388 1.00 11.22 O ATOM 1435 ND2 ASN A 97 26.791 53.294 -42.154 1.00 2.51 N ATOM 0 H ASN A 97 24.165 50.305 -43.226 1.00 24.34 H new ATOM 0 HA ASN A 97 27.070 50.432 -43.229 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.009 50.808 -41.020 1.00 32.34 H new ATOM 0 HB3 ASN A 97 26.730 51.099 -40.855 1.00 32.34 H new ATOM 0 HD21 ASN A 97 26.713 54.256 -42.483 1.00 2.51 H new ATOM 0 HD22 ASN A 97 27.701 52.919 -41.885 1.00 2.51 H new ATOM 1442 N VAL A 98 27.464 48.062 -42.589 1.00 45.14 N ATOM 1443 CA VAL A 98 27.813 46.726 -42.130 1.00 72.02 C ATOM 1444 C VAL A 98 28.868 46.781 -41.030 1.00 15.31 C ATOM 1445 O VAL A 98 29.939 47.357 -41.207 1.00 42.35 O ATOM 1446 CB VAL A 98 28.328 45.858 -43.300 1.00 44.14 C ATOM 1447 CG1 VAL A 98 29.056 44.623 -42.794 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.176 45.441 -44.197 1.00 24.02 C ATOM 0 H VAL A 98 28.080 48.429 -43.315 1.00 45.14 H new ATOM 0 HA VAL A 98 26.908 46.274 -41.725 1.00 72.02 H new ATOM 0 HB VAL A 98 29.032 46.461 -43.873 1.00 44.14 H new ATOM 0 HG11 VAL A 98 29.406 44.034 -43.642 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.909 44.927 -42.187 1.00 50.42 H new ATOM 0 HG13 VAL A 98 28.376 44.022 -42.190 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.555 44.830 -45.016 1.00 24.02 H new ATOM 0 HG22 VAL A 98 26.455 44.864 -43.618 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.690 46.329 -44.601 1.00 24.02 H new ATOM 1458 N THR A 99 28.551 46.196 -39.890 1.00 13.53 N ATOM 1459 CA THR A 99 29.503 46.083 -38.806 1.00 63.52 C ATOM 1460 C THR A 99 29.900 44.623 -38.606 1.00 34.14 C ATOM 1461 O THR A 99 29.101 43.810 -38.137 1.00 52.04 O ATOM 1462 CB THR A 99 28.923 46.651 -37.499 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.450 47.987 -37.720 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.969 46.662 -36.395 1.00 64.32 C ATOM 0 H THR A 99 27.636 45.790 -39.692 1.00 13.53 H new ATOM 0 HA THR A 99 30.387 46.664 -39.070 1.00 63.52 H new ATOM 0 HB THR A 99 28.097 46.011 -37.187 1.00 15.12 H new ATOM 0 HG1 THR A 99 28.080 48.345 -36.886 1.00 32.14 H new ATOM 0 HG21 THR A 99 29.531 47.068 -35.483 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.313 45.645 -36.210 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.813 47.281 -36.700 1.00 64.32 H new ATOM 1472 N ASP A 100 31.129 44.301 -38.991 1.00 61.11 N ATOM 1473 CA ASP A 100 31.656 42.944 -38.864 1.00 23.41 C ATOM 1474 C ASP A 100 31.791 42.564 -37.392 1.00 63.40 C ATOM 1475 O ASP A 100 32.342 43.329 -36.601 1.00 62.23 O ATOM 1476 CB ASP A 100 33.018 42.847 -39.559 1.00 14.41 C ATOM 1477 CG ASP A 100 33.555 41.434 -39.612 1.00 53.52 C ATOM 1478 OD1 ASP A 100 33.366 40.746 -40.636 1.00 4.12 O ATOM 1479 OD2 ASP A 100 34.183 41.009 -38.629 1.00 11.31 O1- ATOM 0 H ASP A 100 31.786 44.967 -39.398 1.00 61.11 H new ATOM 0 HA ASP A 100 30.963 42.251 -39.341 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.930 43.235 -40.574 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.733 43.482 -39.036 1.00 14.41 H new ATOM 1484 N ARG A 101 31.285 41.390 -37.028 1.00 1.22 N ATOM 1485 CA ARG A 101 31.310 40.944 -35.637 1.00 70.42 C ATOM 1486 C ARG A 101 32.332 39.815 -35.445 1.00 41.44 C ATOM 1487 O ARG A 101 32.307 39.082 -34.453 1.00 3.54 O ATOM 1488 CB ARG A 101 29.904 40.496 -35.203 1.00 70.04 C ATOM 1489 CG ARG A 101 29.738 40.277 -33.700 1.00 12.41 C ATOM 1490 CD ARG A 101 30.033 41.540 -32.896 1.00 13.24 C ATOM 1491 NE ARG A 101 31.462 41.859 -32.861 1.00 14.53 N ATOM 1492 CZ ARG A 101 31.961 43.088 -32.985 1.00 32.32 C ATOM 1493 NH1 ARG A 101 31.152 44.128 -33.160 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 33.275 43.269 -32.954 1.00 52.25 N ATOM 0 H ARG A 101 30.853 40.730 -37.675 1.00 1.22 H new ATOM 0 HA ARG A 101 31.617 41.779 -35.007 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.182 41.245 -35.529 1.00 70.04 H new ATOM 0 HB3 ARG A 101 29.657 39.569 -35.721 1.00 70.04 H new ATOM 0 HG2 ARG A 101 28.720 39.947 -33.493 1.00 12.41 H new ATOM 0 HG3 ARG A 101 30.405 39.478 -33.375 1.00 12.41 H new ATOM 0 HD2 ARG A 101 29.487 42.378 -33.328 1.00 13.24 H new ATOM 0 HD3 ARG A 101 29.667 41.413 -31.877 1.00 13.24 H new ATOM 0 HE ARG A 101 32.119 41.089 -32.733 1.00 14.53 H new ATOM 0 HH11 ARG A 101 30.142 43.988 -33.200 1.00 20.33 H new ATOM 0 HH12 ARG A 101 31.541 45.066 -33.254 1.00 20.33 H new ATOM 0 HH21 ARG A 101 33.897 42.470 -32.836 1.00 52.25 H new ATOM 0 HH22 ARG A 101 33.663 44.208 -33.048 1.00 52.25 H new ATOM 1508 N LYS A 102 33.238 39.689 -36.399 1.00 25.22 N ATOM 1509 CA LYS A 102 34.327 38.727 -36.308 1.00 51.24 C ATOM 1510 C LYS A 102 35.621 39.469 -36.036 1.00 24.03 C ATOM 1511 O LYS A 102 36.209 39.377 -34.957 1.00 61.52 O ATOM 1512 CB LYS A 102 34.472 37.957 -37.623 1.00 63.24 C ATOM 1513 CG LYS A 102 33.178 37.321 -38.112 1.00 64.00 C ATOM 1514 CD LYS A 102 33.286 36.791 -39.539 1.00 42.35 C ATOM 1515 CE LYS A 102 34.405 35.766 -39.710 1.00 32.33 C ATOM 1516 NZ LYS A 102 35.734 36.405 -39.925 1.00 73.14 N1+ ATOM 0 H LYS A 102 33.242 40.246 -37.254 1.00 25.22 H new ATOM 0 HA LYS A 102 34.110 38.025 -35.503 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.845 38.635 -38.391 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.223 37.177 -37.495 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.905 36.504 -37.445 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.375 38.056 -38.061 1.00 64.00 H new ATOM 0 HD2 LYS A 102 32.337 36.337 -39.825 1.00 42.35 H new ATOM 0 HD3 LYS A 102 33.458 37.625 -40.219 1.00 42.35 H new ATOM 0 HE2 LYS A 102 34.450 35.130 -38.826 1.00 32.33 H new ATOM 0 HE3 LYS A 102 34.175 35.119 -40.557 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 36.186 35.992 -40.766 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 35.609 37.428 -40.067 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 36.336 36.242 -39.093 1.00 73.14 H new ATOM 1530 N THR A 103 36.020 40.238 -37.027 1.00 32.11 N ATOM 1531 CA THR A 103 37.236 41.008 -36.984 1.00 65.25 C ATOM 1532 C THR A 103 36.932 42.395 -36.430 1.00 51.12 C ATOM 1533 O THR A 103 37.677 42.931 -35.610 1.00 72.12 O ATOM 1534 CB THR A 103 37.830 41.121 -38.398 1.00 3.51 C ATOM 1535 OG1 THR A 103 37.736 39.856 -39.072 1.00 71.14 O ATOM 1536 CG2 THR A 103 39.279 41.540 -38.337 1.00 15.44 C ATOM 0 H THR A 103 35.498 40.344 -37.897 1.00 32.11 H new ATOM 0 HA THR A 103 37.961 40.513 -36.338 1.00 65.25 H new ATOM 0 HB THR A 103 37.264 41.875 -38.945 1.00 3.51 H new ATOM 0 HG1 THR A 103 38.115 39.936 -39.972 1.00 71.14 H new ATOM 0 HG21 THR A 103 39.679 41.614 -39.348 1.00 15.44 H new ATOM 0 HG22 THR A 103 39.357 42.509 -37.844 1.00 15.44 H new ATOM 0 HG23 THR A 103 39.848 40.800 -37.774 1.00 15.44 H new ATOM 1544 N GLY A 104 35.801 42.948 -36.859 1.00 65.24 N ATOM 1545 CA GLY A 104 35.362 44.236 -36.365 1.00 42.41 C ATOM 1546 C GLY A 104 35.715 45.379 -37.295 1.00 24.42 C ATOM 1547 O GLY A 104 36.712 46.074 -37.099 1.00 13.23 O ATOM 0 H GLY A 104 35.179 42.521 -37.545 1.00 65.24 H new ATOM 0 HA2 GLY A 104 34.282 44.214 -36.219 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.812 44.417 -35.389 1.00 42.41 H new ATOM 1551 N GLN A 105 34.877 45.577 -38.297 1.00 51.35 N ATOM 1552 CA GLN A 105 35.056 46.635 -39.277 1.00 72.04 C ATOM 1553 C GLN A 105 33.696 47.196 -39.657 1.00 12.40 C ATOM 1554 O GLN A 105 32.721 46.450 -39.748 1.00 64.30 O ATOM 1555 CB GLN A 105 35.758 46.098 -40.528 1.00 71.44 C ATOM 1556 CG GLN A 105 37.207 45.693 -40.305 1.00 11.23 C ATOM 1557 CD GLN A 105 37.819 45.019 -41.521 1.00 44.43 C ATOM 1558 OE1 GLN A 105 37.767 43.798 -41.656 1.00 42.45 O ATOM 1559 NE2 GLN A 105 38.390 45.807 -42.420 1.00 23.32 N ATOM 0 H GLN A 105 34.048 45.005 -38.455 1.00 51.35 H new ATOM 0 HA GLN A 105 35.675 47.420 -38.843 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.205 45.236 -40.899 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.721 46.860 -41.307 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.792 46.577 -40.051 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.264 45.017 -39.452 1.00 11.23 H new ATOM 0 HE21 GLN A 105 38.413 46.816 -42.272 1.00 23.32 H new ATOM 0 HE22 GLN A 105 38.806 45.405 -43.260 1.00 23.32 H new ATOM 1568 N THR A 106 33.623 48.496 -39.859 1.00 25.35 N ATOM 1569 CA THR A 106 32.379 49.125 -40.248 1.00 43.25 C ATOM 1570 C THR A 106 32.416 49.497 -41.729 1.00 44.11 C ATOM 1571 O THR A 106 32.787 50.612 -42.104 1.00 33.22 O ATOM 1572 CB THR A 106 32.078 50.370 -39.388 1.00 61.32 C ATOM 1573 OG1 THR A 106 32.193 50.032 -37.996 1.00 1.35 O ATOM 1574 CG2 THR A 106 30.678 50.900 -39.665 1.00 5.13 C ATOM 0 H THR A 106 34.411 49.137 -39.760 1.00 25.35 H new ATOM 0 HA THR A 106 31.576 48.407 -40.081 1.00 43.25 H new ATOM 0 HB THR A 106 32.799 51.146 -39.644 1.00 61.32 H new ATOM 0 HG1 THR A 106 32.003 50.824 -37.450 1.00 1.35 H new ATOM 0 HG21 THR A 106 30.492 51.777 -39.046 1.00 5.13 H new ATOM 0 HG22 THR A 106 30.594 51.174 -40.717 1.00 5.13 H new ATOM 0 HG23 THR A 106 29.944 50.129 -39.431 1.00 5.13 H new ATOM 1582 N SER A 107 32.063 48.536 -42.566 1.00 30.10 N ATOM 1583 CA SER A 107 32.025 48.738 -44.002 1.00 71.15 C ATOM 1584 C SER A 107 30.686 49.338 -44.407 1.00 42.21 C ATOM 1585 O SER A 107 29.631 48.751 -44.169 1.00 53.14 O ATOM 1586 CB SER A 107 32.256 47.406 -44.715 1.00 62.32 C ATOM 1587 OG SER A 107 32.236 46.324 -43.793 1.00 35.01 O ATOM 0 H SER A 107 31.796 47.597 -42.269 1.00 30.10 H new ATOM 0 HA SER A 107 32.815 49.431 -44.291 1.00 71.15 H new ATOM 0 HB2 SER A 107 31.487 47.257 -45.473 1.00 62.32 H new ATOM 0 HB3 SER A 107 33.214 47.429 -45.234 1.00 62.32 H new ATOM 0 HG SER A 107 32.384 45.482 -44.273 1.00 35.01 H new ATOM 1593 N THR A 108 30.725 50.514 -45.001 1.00 61.34 N ATOM 1594 CA THR A 108 29.508 51.211 -45.357 1.00 45.01 C ATOM 1595 C THR A 108 29.254 51.150 -46.861 1.00 51.14 C ATOM 1596 O THR A 108 29.942 51.798 -47.646 1.00 24.12 O ATOM 1597 CB THR A 108 29.574 52.672 -44.886 1.00 51.54 C ATOM 1598 OG1 THR A 108 29.876 52.703 -43.484 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.257 53.380 -45.140 1.00 12.31 C ATOM 0 H THR A 108 31.585 51.005 -45.246 1.00 61.34 H new ATOM 0 HA THR A 108 28.677 50.714 -44.856 1.00 45.01 H new ATOM 0 HB THR A 108 30.354 53.187 -45.446 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.921 53.633 -43.179 1.00 42.23 H new ATOM 0 HG21 THR A 108 28.327 54.413 -44.799 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.036 53.365 -46.207 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.460 52.872 -44.597 1.00 12.31 H new ATOM 1607 N ILE A 109 28.268 50.357 -47.255 1.00 13.34 N ATOM 1608 CA ILE A 109 27.925 50.210 -48.659 1.00 55.11 C ATOM 1609 C ILE A 109 26.676 51.023 -48.974 1.00 14.15 C ATOM 1610 O ILE A 109 25.558 50.595 -48.700 1.00 1.14 O ATOM 1611 CB ILE A 109 27.680 48.729 -49.061 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.912 47.855 -48.776 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.305 48.631 -50.534 1.00 4.42 C ATOM 1614 CD1 ILE A 109 29.038 47.406 -47.336 1.00 12.41 C ATOM 0 H ILE A 109 27.691 49.805 -46.620 1.00 13.34 H new ATOM 0 HA ILE A 109 28.776 50.575 -49.234 1.00 55.11 H new ATOM 0 HB ILE A 109 26.854 48.358 -48.455 1.00 61.20 H new ATOM 0 HG12 ILE A 109 28.874 46.974 -49.417 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.809 48.411 -49.051 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.137 47.587 -50.798 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.395 49.202 -50.717 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.114 49.034 -51.143 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.933 46.795 -47.222 1.00 12.41 H new ATOM 0 HD12 ILE A 109 29.110 48.279 -46.688 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.161 46.820 -47.059 1.00 12.41 H new ATOM 1626 N GLN A 110 26.868 52.216 -49.510 1.00 42.43 N ATOM 1627 CA GLN A 110 25.745 53.048 -49.907 1.00 3.53 C ATOM 1628 C GLN A 110 25.225 52.569 -51.254 1.00 10.22 C ATOM 1629 O GLN A 110 25.986 52.480 -52.215 1.00 61.10 O ATOM 1630 CB GLN A 110 26.166 54.516 -49.986 1.00 51.25 C ATOM 1631 CG GLN A 110 26.848 55.012 -48.724 1.00 2.41 C ATOM 1632 CD GLN A 110 27.223 56.476 -48.797 1.00 4.14 C ATOM 1633 OE1 GLN A 110 26.539 57.277 -49.434 1.00 23.33 O ATOM 1634 NE2 GLN A 110 28.317 56.833 -48.146 1.00 32.10 N ATOM 0 H GLN A 110 27.785 52.629 -49.680 1.00 42.43 H new ATOM 0 HA GLN A 110 24.953 52.967 -49.163 1.00 3.53 H new ATOM 0 HB2 GLN A 110 26.841 54.649 -50.832 1.00 51.25 H new ATOM 0 HB3 GLN A 110 25.286 55.129 -50.181 1.00 51.25 H new ATOM 0 HG2 GLN A 110 26.186 54.853 -47.872 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.746 54.420 -48.545 1.00 2.41 H new ATOM 0 HE21 GLN A 110 28.854 56.136 -47.630 1.00 32.10 H new ATOM 0 HE22 GLN A 110 28.624 57.806 -48.159 1.00 32.10 H new ATOM 1643 N VAL A 111 23.943 52.237 -51.308 1.00 22.34 N ATOM 1644 CA VAL A 111 23.345 51.678 -52.511 1.00 74.24 C ATOM 1645 C VAL A 111 23.370 52.686 -53.655 1.00 21.00 C ATOM 1646 O VAL A 111 22.576 53.628 -53.693 1.00 75.11 O ATOM 1647 CB VAL A 111 21.894 51.213 -52.260 1.00 73.33 C ATOM 1648 CG1 VAL A 111 21.295 50.610 -53.521 1.00 13.23 C ATOM 1649 CG2 VAL A 111 21.847 50.210 -51.117 1.00 44.35 C ATOM 0 H VAL A 111 23.295 52.346 -50.528 1.00 22.34 H new ATOM 0 HA VAL A 111 23.943 50.810 -52.790 1.00 74.24 H new ATOM 0 HB VAL A 111 21.300 52.084 -51.983 1.00 73.33 H new ATOM 0 HG11 VAL A 111 20.273 50.289 -53.321 1.00 13.23 H new ATOM 0 HG12 VAL A 111 21.292 51.356 -54.315 1.00 13.23 H new ATOM 0 HG13 VAL A 111 21.890 49.751 -53.832 1.00 13.23 H new ATOM 0 HG21 VAL A 111 20.817 49.893 -50.953 1.00 44.35 H new ATOM 0 HG22 VAL A 111 22.458 49.343 -51.368 1.00 44.35 H new ATOM 0 HG23 VAL A 111 22.232 50.675 -50.209 1.00 44.35 H new