USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 541 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 43 ASN : amide:sc= -0.221 K(o=0.35,f=-13!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -161:sc= 0.571 (180deg=-1.35) USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 1.53 (180deg=1.47) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.696 K(o=-0.7,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.828 K(o=-0.83,f=-3!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 74:sc= 0.536 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= -0.0595 K(o=-0.06,f=-2!) USER MOD Single : A 106 ASN : amide:sc= 0.359 K(o=0.36,f=-8!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -24:sc= 0.23 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 675 N ASN A 43 14.564 -1.812 -3.028 1.00 0.00 N ATOM 676 CA ASN A 43 15.116 -1.429 -1.778 1.00 0.00 C ATOM 677 C ASN A 43 16.418 -2.148 -1.618 1.00 0.00 C ATOM 678 O ASN A 43 16.457 -3.371 -1.600 1.00 0.00 O ATOM 679 CB ASN A 43 14.091 -1.812 -0.707 1.00 0.00 C ATOM 680 CG ASN A 43 14.042 -0.875 0.474 1.00 0.00 C ATOM 681 OD1 ASN A 43 14.381 0.307 0.376 1.00 0.00 O ATOM 682 ND2 ASN A 43 13.536 -1.363 1.577 1.00 0.00 N ATOM 0 HA ASN A 43 15.317 -0.361 -1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.103 -1.851 -1.165 1.00 0.00 H new ATOM 0 HB3 ASN A 43 14.316 -2.817 -0.349 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.411 -0.761 2.391 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.266 -2.346 1.623 1.00 0.00 H new ATOM 689 N LEU A 44 17.486 -1.400 -1.566 1.00 0.00 N ATOM 690 CA LEU A 44 18.812 -1.973 -1.578 1.00 0.00 C ATOM 691 C LEU A 44 19.650 -1.564 -0.376 1.00 0.00 C ATOM 692 O LEU A 44 19.263 -0.712 0.440 1.00 0.00 O ATOM 693 CB LEU A 44 19.542 -1.580 -2.871 1.00 0.00 C ATOM 694 CG LEU A 44 18.907 -2.047 -4.189 1.00 0.00 C ATOM 695 CD1 LEU A 44 19.689 -1.504 -5.370 1.00 0.00 C ATOM 696 CD2 LEU A 44 18.853 -3.569 -4.250 1.00 0.00 C ATOM 0 H LEU A 44 17.467 -0.381 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 44 18.685 -3.054 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 44 19.624 -0.493 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 44 20.557 -1.975 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 44 17.888 -1.663 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 44 19.228 -1.843 -6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 44 19.685 -0.414 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 44 20.717 -1.864 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 44 18.400 -3.880 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 44 19.864 -3.972 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 44 18.257 -3.946 -3.419 1.00 0.00 H new ATOM 708 N ILE A 45 20.793 -2.176 -0.281 1.00 0.00 N ATOM 709 CA ILE A 45 21.745 -1.912 0.754 1.00 0.00 C ATOM 710 C ILE A 45 23.074 -1.487 0.148 1.00 0.00 C ATOM 711 O ILE A 45 23.546 -2.088 -0.826 1.00 0.00 O ATOM 712 CB ILE A 45 21.902 -3.124 1.743 1.00 0.00 C ATOM 713 CG1 ILE A 45 23.214 -3.056 2.478 1.00 0.00 C ATOM 714 CG2 ILE A 45 21.896 -4.398 1.007 1.00 0.00 C ATOM 715 CD1 ILE A 45 23.269 -3.858 3.743 1.00 0.00 C ATOM 0 H ILE A 45 21.096 -2.893 -0.941 1.00 0.00 H new ATOM 0 HA ILE A 45 21.368 -1.085 1.356 1.00 0.00 H new ATOM 0 HB ILE A 45 21.066 -3.070 2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 45 24.006 -3.400 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 45 23.427 -2.014 2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 45 22.006 -5.224 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 45 20.954 -4.502 0.468 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.724 -4.412 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.252 -3.747 4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 45 22.504 -3.502 4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.091 -4.909 3.515 1.00 0.00 H new ATOM 727 N VAL A 46 23.654 -0.450 0.707 1.00 0.00 N ATOM 728 CA VAL A 46 24.879 0.103 0.210 1.00 0.00 C ATOM 729 C VAL A 46 26.029 -0.173 1.186 1.00 0.00 C ATOM 730 O VAL A 46 25.980 0.200 2.365 1.00 0.00 O ATOM 731 CB VAL A 46 24.739 1.625 -0.072 1.00 0.00 C ATOM 732 CG1 VAL A 46 26.055 2.221 -0.511 1.00 0.00 C ATOM 733 CG2 VAL A 46 23.695 1.870 -1.138 1.00 0.00 C ATOM 0 H VAL A 46 23.281 0.032 1.525 1.00 0.00 H new ATOM 0 HA VAL A 46 25.109 -0.385 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 46 24.430 2.106 0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 46 25.926 3.287 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 46 26.798 2.079 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 46 26.392 1.728 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 46 23.609 2.941 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 46 23.989 1.364 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 46 22.734 1.482 -0.802 1.00 0.00 H new ATOM 743 N LYS A 47 27.027 -0.852 0.689 1.00 0.00 N ATOM 744 CA LYS A 47 28.219 -1.233 1.442 1.00 0.00 C ATOM 745 C LYS A 47 29.447 -1.091 0.559 1.00 0.00 C ATOM 746 O LYS A 47 29.605 -1.812 -0.433 1.00 0.00 O ATOM 747 CB LYS A 47 28.109 -2.681 1.943 1.00 0.00 C ATOM 748 CG LYS A 47 27.079 -2.901 3.048 1.00 0.00 C ATOM 749 CD LYS A 47 26.861 -4.382 3.326 1.00 0.00 C ATOM 750 CE LYS A 47 28.129 -5.099 3.748 1.00 0.00 C ATOM 751 NZ LYS A 47 28.642 -4.650 5.056 1.00 0.00 N ATOM 0 H LYS A 47 27.046 -1.171 -0.280 1.00 0.00 H new ATOM 0 HA LYS A 47 28.308 -0.574 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 47 27.859 -3.324 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 47 29.086 -2.999 2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 47 27.411 -2.404 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 47 26.133 -2.441 2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 47 26.110 -4.492 4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 47 26.461 -4.859 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 47 27.936 -6.171 3.789 1.00 0.00 H new ATOM 0 HE3 LYS A 47 28.897 -4.942 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 29.489 -5.200 5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 28.887 -3.641 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 27.912 -4.792 5.783 1.00 0.00 H new ATOM 764 N ALA A 48 30.310 -0.188 0.910 1.00 0.00 N ATOM 765 CA ALA A 48 31.477 0.087 0.113 1.00 0.00 C ATOM 766 C ALA A 48 32.718 0.103 0.976 1.00 0.00 C ATOM 767 O ALA A 48 32.625 0.132 2.205 1.00 0.00 O ATOM 768 CB ALA A 48 31.315 1.412 -0.622 1.00 0.00 C ATOM 0 H ALA A 48 30.231 0.380 1.753 1.00 0.00 H new ATOM 0 HA ALA A 48 31.587 -0.706 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 48 32.205 1.607 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 48 30.443 1.362 -1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.181 2.216 0.102 1.00 0.00 H new ATOM 774 N ASP A 49 33.869 0.079 0.321 1.00 0.00 N ATOM 775 CA ASP A 49 35.181 0.091 0.980 1.00 0.00 C ATOM 776 C ASP A 49 35.441 1.472 1.534 1.00 0.00 C ATOM 777 O ASP A 49 36.036 1.648 2.608 1.00 0.00 O ATOM 778 CB ASP A 49 36.269 -0.304 -0.045 1.00 0.00 C ATOM 779 CG ASP A 49 37.679 -0.304 0.502 1.00 0.00 C ATOM 780 OD1 ASP A 49 38.126 -1.327 1.073 1.00 0.00 O ATOM 781 OD2 ASP A 49 38.391 0.710 0.349 1.00 0.00 O ATOM 0 H ASP A 49 33.927 0.050 -0.697 1.00 0.00 H new ATOM 0 HA ASP A 49 35.201 -0.626 1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 49 36.043 -1.298 -0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 49 36.221 0.384 -0.889 1.00 0.00 H new ATOM 786 N VAL A 50 34.977 2.449 0.801 1.00 0.00 N ATOM 787 CA VAL A 50 35.055 3.824 1.184 1.00 0.00 C ATOM 788 C VAL A 50 33.739 4.176 1.843 1.00 0.00 C ATOM 789 O VAL A 50 32.677 3.988 1.227 1.00 0.00 O ATOM 790 CB VAL A 50 35.241 4.717 -0.060 1.00 0.00 C ATOM 791 CG1 VAL A 50 35.297 6.170 0.325 1.00 0.00 C ATOM 792 CG2 VAL A 50 36.483 4.323 -0.837 1.00 0.00 C ATOM 0 H VAL A 50 34.524 2.301 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 50 35.899 3.982 1.855 1.00 0.00 H new ATOM 0 HB VAL A 50 34.377 4.567 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 50 35.429 6.779 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 50 34.368 6.451 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 50 36.135 6.335 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 50 36.588 4.970 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.360 4.429 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 50 36.395 3.287 -1.163 1.00 0.00 H new ATOM 802 N GLN A 51 33.781 4.685 3.067 1.00 0.00 N ATOM 803 CA GLN A 51 32.550 4.987 3.780 1.00 0.00 C ATOM 804 C GLN A 51 31.752 6.044 3.060 1.00 0.00 C ATOM 805 O GLN A 51 30.572 5.928 2.922 1.00 0.00 O ATOM 806 CB GLN A 51 32.766 5.415 5.227 1.00 0.00 C ATOM 807 CG GLN A 51 31.440 5.551 5.974 1.00 0.00 C ATOM 808 CD GLN A 51 31.572 6.094 7.360 1.00 0.00 C ATOM 809 OE1 GLN A 51 31.740 5.352 8.330 1.00 0.00 O ATOM 810 NE2 GLN A 51 31.444 7.372 7.475 1.00 0.00 N ATOM 0 H GLN A 51 34.638 4.894 3.579 1.00 0.00 H new ATOM 0 HA GLN A 51 31.994 4.049 3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 51 33.397 4.685 5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 51 33.298 6.366 5.251 1.00 0.00 H new ATOM 0 HG2 GLN A 51 30.778 6.202 5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 51 30.961 4.573 6.023 1.00 0.00 H new ATOM 0 HE21 GLN A 51 31.307 7.948 6.644 1.00 0.00 H new ATOM 0 HE22 GLN A 51 31.480 7.807 8.397 1.00 0.00 H new ATOM 819 N GLY A 52 32.390 7.026 2.546 1.00 0.00 N ATOM 820 CA GLY A 52 31.639 8.052 1.889 1.00 0.00 C ATOM 821 C GLY A 52 31.126 7.662 0.530 1.00 0.00 C ATOM 822 O GLY A 52 30.438 8.433 -0.108 1.00 0.00 O ATOM 0 H GLY A 52 33.402 7.151 2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.794 8.329 2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 52 32.265 8.938 1.789 1.00 0.00 H new ATOM 826 N SER A 53 31.399 6.446 0.098 1.00 0.00 N ATOM 827 CA SER A 53 30.843 6.001 -1.128 1.00 0.00 C ATOM 828 C SER A 53 29.496 5.414 -0.786 1.00 0.00 C ATOM 829 O SER A 53 28.592 5.373 -1.615 1.00 0.00 O ATOM 830 CB SER A 53 31.746 4.989 -1.852 1.00 0.00 C ATOM 831 OG SER A 53 31.228 4.668 -3.143 1.00 0.00 O ATOM 0 H SER A 53 31.994 5.772 0.580 1.00 0.00 H new ATOM 0 HA SER A 53 30.745 6.830 -1.829 1.00 0.00 H new ATOM 0 HB2 SER A 53 32.751 5.400 -1.952 1.00 0.00 H new ATOM 0 HB3 SER A 53 31.831 4.081 -1.255 1.00 0.00 H new ATOM 0 HG SER A 53 31.822 4.024 -3.583 1.00 0.00 H new ATOM 837 N VAL A 54 29.350 5.009 0.488 1.00 0.00 N ATOM 838 CA VAL A 54 28.091 4.546 0.960 1.00 0.00 C ATOM 839 C VAL A 54 27.201 5.762 1.094 1.00 0.00 C ATOM 840 O VAL A 54 26.076 5.774 0.639 1.00 0.00 O ATOM 841 CB VAL A 54 28.169 3.742 2.312 1.00 0.00 C ATOM 842 CG1 VAL A 54 29.261 2.698 2.312 1.00 0.00 C ATOM 843 CG2 VAL A 54 28.166 4.573 3.600 1.00 0.00 C ATOM 0 H VAL A 54 30.098 5.003 1.182 1.00 0.00 H new ATOM 0 HA VAL A 54 27.689 3.828 0.246 1.00 0.00 H new ATOM 0 HB VAL A 54 27.210 3.225 2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 54 29.266 2.177 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 54 29.080 1.982 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 54 30.226 3.181 2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.223 3.908 4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 54 29.025 5.244 3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.248 5.158 3.653 1.00 0.00 H new ATOM 853 N GLU A 55 27.793 6.812 1.654 1.00 0.00 N ATOM 854 CA GLU A 55 27.160 8.113 1.833 1.00 0.00 C ATOM 855 C GLU A 55 26.696 8.671 0.498 1.00 0.00 C ATOM 856 O GLU A 55 25.515 8.971 0.320 1.00 0.00 O ATOM 857 CB GLU A 55 28.150 9.089 2.468 1.00 0.00 C ATOM 858 CG GLU A 55 28.558 8.765 3.891 1.00 0.00 C ATOM 859 CD GLU A 55 27.430 8.953 4.861 1.00 0.00 C ATOM 860 OE1 GLU A 55 27.102 10.114 5.178 1.00 0.00 O ATOM 861 OE2 GLU A 55 26.858 7.953 5.331 1.00 0.00 O ATOM 0 H GLU A 55 28.750 6.780 2.005 1.00 0.00 H new ATOM 0 HA GLU A 55 26.296 7.987 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 55 29.047 9.124 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 55 27.712 10.087 2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 55 28.909 7.734 3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.394 9.401 4.181 1.00 0.00 H new ATOM 868 N ALA A 56 27.628 8.759 -0.444 1.00 0.00 N ATOM 869 CA ALA A 56 27.361 9.313 -1.762 1.00 0.00 C ATOM 870 C ALA A 56 26.280 8.547 -2.497 1.00 0.00 C ATOM 871 O ALA A 56 25.415 9.149 -3.137 1.00 0.00 O ATOM 872 CB ALA A 56 28.631 9.361 -2.591 1.00 0.00 C ATOM 0 H ALA A 56 28.590 8.447 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 56 26.996 10.329 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 56 28.409 9.779 -3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 56 29.370 9.986 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 56 29.028 8.353 -2.707 1.00 0.00 H new ATOM 878 N LEU A 57 26.304 7.230 -2.401 1.00 0.00 N ATOM 879 CA LEU A 57 25.312 6.438 -3.085 1.00 0.00 C ATOM 880 C LEU A 57 23.962 6.548 -2.388 1.00 0.00 C ATOM 881 O LEU A 57 22.945 6.637 -3.044 1.00 0.00 O ATOM 882 CB LEU A 57 25.758 4.986 -3.271 1.00 0.00 C ATOM 883 CG LEU A 57 24.796 4.080 -4.057 1.00 0.00 C ATOM 884 CD1 LEU A 57 24.494 4.671 -5.429 1.00 0.00 C ATOM 885 CD2 LEU A 57 25.395 2.705 -4.231 1.00 0.00 C ATOM 0 H LEU A 57 26.989 6.698 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 57 25.196 6.844 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 57 26.722 4.985 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 57 25.916 4.546 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 57 23.868 4.005 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 57 23.812 4.013 -5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.033 5.652 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 57 25.421 4.772 -5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 57 24.703 2.075 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 57 26.335 2.784 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 57 25.580 2.262 -3.252 1.00 0.00 H new ATOM 897 N VAL A 58 23.966 6.594 -1.055 1.00 0.00 N ATOM 898 CA VAL A 58 22.732 6.796 -0.283 1.00 0.00 C ATOM 899 C VAL A 58 22.078 8.106 -0.671 1.00 0.00 C ATOM 900 O VAL A 58 20.889 8.148 -0.949 1.00 0.00 O ATOM 901 CB VAL A 58 22.977 6.744 1.255 1.00 0.00 C ATOM 902 CG1 VAL A 58 21.781 7.278 2.049 1.00 0.00 C ATOM 903 CG2 VAL A 58 23.245 5.323 1.665 1.00 0.00 C ATOM 0 H VAL A 58 24.806 6.495 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 58 22.061 5.972 -0.527 1.00 0.00 H new ATOM 0 HB VAL A 58 23.834 7.380 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 58 21.998 7.222 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 58 21.593 8.315 1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 58 20.899 6.678 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 58 23.417 5.281 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 58 22.386 4.703 1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.127 4.953 1.142 1.00 0.00 H new ATOM 913 N ALA A 59 22.877 9.145 -0.769 1.00 0.00 N ATOM 914 CA ALA A 59 22.400 10.475 -1.149 1.00 0.00 C ATOM 915 C ALA A 59 21.809 10.482 -2.570 1.00 0.00 C ATOM 916 O ALA A 59 20.995 11.335 -2.906 1.00 0.00 O ATOM 917 CB ALA A 59 23.527 11.495 -1.037 1.00 0.00 C ATOM 0 H ALA A 59 23.880 9.101 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 59 21.603 10.750 -0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 59 23.157 12.479 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 59 23.887 11.528 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 59 24.344 11.208 -1.699 1.00 0.00 H new ATOM 923 N ALA A 60 22.162 9.488 -3.358 1.00 0.00 N ATOM 924 CA ALA A 60 21.728 9.390 -4.738 1.00 0.00 C ATOM 925 C ALA A 60 20.576 8.416 -4.849 1.00 0.00 C ATOM 926 O ALA A 60 19.907 8.326 -5.868 1.00 0.00 O ATOM 927 CB ALA A 60 22.888 8.913 -5.593 1.00 0.00 C ATOM 0 H ALA A 60 22.762 8.720 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 60 21.396 10.369 -5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.567 8.837 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.711 9.623 -5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 60 23.220 7.935 -5.244 1.00 0.00 H new ATOM 933 N LEU A 61 20.358 7.717 -3.786 1.00 0.00 N ATOM 934 CA LEU A 61 19.382 6.669 -3.715 1.00 0.00 C ATOM 935 C LEU A 61 18.158 7.138 -2.919 1.00 0.00 C ATOM 936 O LEU A 61 17.061 6.682 -3.129 1.00 0.00 O ATOM 937 CB LEU A 61 20.060 5.484 -3.035 1.00 0.00 C ATOM 938 CG LEU A 61 20.105 4.134 -3.763 1.00 0.00 C ATOM 939 CD1 LEU A 61 18.715 3.565 -3.954 1.00 0.00 C ATOM 940 CD2 LEU A 61 20.814 4.261 -5.104 1.00 0.00 C ATOM 0 H LEU A 61 20.867 7.859 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 61 19.028 6.388 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.088 5.774 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.563 5.325 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 61 20.671 3.444 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.781 2.609 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.245 3.419 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.116 4.258 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.832 3.290 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.283 4.978 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.836 4.606 -4.944 1.00 0.00 H new ATOM 952 N GLN A 62 18.364 8.060 -2.004 1.00 0.00 N ATOM 953 CA GLN A 62 17.269 8.598 -1.202 1.00 0.00 C ATOM 954 C GLN A 62 16.547 9.721 -1.930 1.00 0.00 C ATOM 955 O GLN A 62 15.477 10.146 -1.524 1.00 0.00 O ATOM 956 CB GLN A 62 17.767 9.088 0.154 1.00 0.00 C ATOM 957 CG GLN A 62 18.817 10.177 0.074 1.00 0.00 C ATOM 958 CD GLN A 62 19.264 10.690 1.425 1.00 0.00 C ATOM 959 OE1 GLN A 62 19.654 11.842 1.546 1.00 0.00 O ATOM 960 NE2 GLN A 62 19.193 9.868 2.448 1.00 0.00 N ATOM 0 H GLN A 62 19.279 8.458 -1.791 1.00 0.00 H new ATOM 0 HA GLN A 62 16.561 7.785 -1.038 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.918 9.459 0.728 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.178 8.242 0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.684 9.795 -0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.421 11.009 -0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.863 8.912 2.312 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.468 10.186 3.377 1.00 0.00 H new ATOM 969 N LYS A 63 17.130 10.186 -3.016 1.00 0.00 N ATOM 970 CA LYS A 63 16.533 11.264 -3.804 1.00 0.00 C ATOM 971 C LYS A 63 15.559 10.687 -4.825 1.00 0.00 C ATOM 972 O LYS A 63 15.007 11.405 -5.661 1.00 0.00 O ATOM 973 CB LYS A 63 17.613 12.078 -4.538 1.00 0.00 C ATOM 974 CG LYS A 63 18.466 11.249 -5.492 1.00 0.00 C ATOM 975 CD LYS A 63 19.378 12.099 -6.372 1.00 0.00 C ATOM 976 CE LYS A 63 20.377 12.928 -5.571 1.00 0.00 C ATOM 977 NZ LYS A 63 21.353 13.614 -6.443 1.00 0.00 N ATOM 0 H LYS A 63 18.018 9.839 -3.380 1.00 0.00 H new ATOM 0 HA LYS A 63 16.002 11.925 -3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 63 17.132 12.880 -5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.263 12.550 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.074 10.553 -4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.813 10.651 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.921 11.449 -7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.767 12.765 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.840 13.667 -4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.907 12.281 -4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 22.013 14.166 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 21.884 12.908 -6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.850 14.251 -7.093 1.00 0.00 H new ATOM 1098 N VAL A 71 13.030 3.525 -5.485 1.00 0.00 N ATOM 1099 CA VAL A 71 14.259 2.830 -5.367 1.00 0.00 C ATOM 1100 C VAL A 71 14.899 3.464 -4.162 1.00 0.00 C ATOM 1101 O VAL A 71 15.129 4.658 -4.164 1.00 0.00 O ATOM 1102 CB VAL A 71 15.139 3.029 -6.631 1.00 0.00 C ATOM 1103 CG1 VAL A 71 16.400 2.182 -6.562 1.00 0.00 C ATOM 1104 CG2 VAL A 71 14.331 2.727 -7.906 1.00 0.00 C ATOM 0 HA VAL A 71 14.130 1.752 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 71 15.450 4.073 -6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.996 2.343 -7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.982 2.466 -5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.128 1.129 -6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.964 2.872 -8.781 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.980 1.695 -7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.475 3.400 -7.962 1.00 0.00 H new ATOM 1114 N LYS A 72 15.102 2.717 -3.119 1.00 0.00 N ATOM 1115 CA LYS A 72 15.546 3.311 -1.881 1.00 0.00 C ATOM 1116 C LYS A 72 16.560 2.422 -1.196 1.00 0.00 C ATOM 1117 O LYS A 72 16.717 1.256 -1.542 1.00 0.00 O ATOM 1118 CB LYS A 72 14.322 3.563 -0.955 1.00 0.00 C ATOM 1119 CG LYS A 72 14.617 4.375 0.320 1.00 0.00 C ATOM 1120 CD LYS A 72 13.366 4.635 1.169 1.00 0.00 C ATOM 1121 CE LYS A 72 13.016 3.481 2.130 1.00 0.00 C ATOM 1122 NZ LYS A 72 12.694 2.194 1.467 1.00 0.00 N ATOM 0 H LYS A 72 14.971 1.706 -3.093 1.00 0.00 H new ATOM 0 HA LYS A 72 16.029 4.264 -2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.555 4.084 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.903 2.600 -0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.353 3.841 0.922 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.065 5.329 0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.515 5.546 1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.519 4.813 0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.855 3.324 2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.165 3.781 2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.172 1.584 2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.109 2.374 0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.575 1.721 1.181 1.00 0.00 H new ATOM 1135 N ILE A 73 17.253 2.991 -0.264 1.00 0.00 N ATOM 1136 CA ILE A 73 18.197 2.290 0.536 1.00 0.00 C ATOM 1137 C ILE A 73 17.627 1.930 1.885 1.00 0.00 C ATOM 1138 O ILE A 73 16.642 2.516 2.335 1.00 0.00 O ATOM 1139 CB ILE A 73 19.540 3.046 0.683 1.00 0.00 C ATOM 1140 CG1 ILE A 73 19.367 4.584 0.801 1.00 0.00 C ATOM 1141 CG2 ILE A 73 20.442 2.698 -0.459 1.00 0.00 C ATOM 1142 CD1 ILE A 73 18.595 5.069 2.012 1.00 0.00 C ATOM 0 H ILE A 73 17.174 3.982 -0.034 1.00 0.00 H new ATOM 0 HA ILE A 73 18.414 1.364 0.004 1.00 0.00 H new ATOM 0 HB ILE A 73 19.991 2.722 1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 73 20.356 5.042 0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.863 4.944 -0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 73 21.386 3.232 -0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 73 20.630 1.624 -0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 73 19.967 2.984 -1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 73 18.535 6.157 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 73 17.589 4.650 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 73 19.105 4.749 2.921 1.00 0.00 H new ATOM 1154 N ILE A 74 18.216 0.949 2.492 1.00 0.00 N ATOM 1155 CA ILE A 74 17.773 0.483 3.788 1.00 0.00 C ATOM 1156 C ILE A 74 18.872 0.676 4.811 1.00 0.00 C ATOM 1157 O ILE A 74 18.638 1.124 5.934 1.00 0.00 O ATOM 1158 CB ILE A 74 17.482 -1.029 3.719 1.00 0.00 C ATOM 1159 CG1 ILE A 74 16.667 -1.335 2.482 1.00 0.00 C ATOM 1160 CG2 ILE A 74 16.739 -1.494 4.970 1.00 0.00 C ATOM 1161 CD1 ILE A 74 16.467 -2.791 2.216 1.00 0.00 C ATOM 0 H ILE A 74 19.016 0.443 2.113 1.00 0.00 H new ATOM 0 HA ILE A 74 16.882 1.045 4.068 1.00 0.00 H new ATOM 0 HB ILE A 74 18.429 -1.566 3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.691 -0.859 2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.157 -0.885 1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.544 -2.564 4.900 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.348 -1.293 5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.794 -0.957 5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 74 15.873 -2.917 1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 74 17.436 -3.273 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 74 15.947 -3.247 3.058 1.00 0.00 H new ATOM 1173 N HIS A 75 20.081 0.375 4.400 1.00 0.00 N ATOM 1174 CA HIS A 75 21.197 0.284 5.311 1.00 0.00 C ATOM 1175 C HIS A 75 22.496 0.551 4.558 1.00 0.00 C ATOM 1176 O HIS A 75 22.705 0.025 3.463 1.00 0.00 O ATOM 1177 CB HIS A 75 21.132 -1.129 5.972 1.00 0.00 C ATOM 1178 CG HIS A 75 22.296 -1.628 6.810 1.00 0.00 C ATOM 1179 ND1 HIS A 75 23.119 -0.854 7.610 1.00 0.00 N ATOM 1180 CD2 HIS A 75 22.757 -2.887 6.928 1.00 0.00 C ATOM 1181 CE1 HIS A 75 24.037 -1.638 8.160 1.00 0.00 C ATOM 1182 NE2 HIS A 75 23.826 -2.868 7.753 1.00 0.00 N ATOM 0 H HIS A 75 20.319 0.187 3.426 1.00 0.00 H new ATOM 0 HA HIS A 75 21.155 1.034 6.100 1.00 0.00 H new ATOM 0 HB2 HIS A 75 20.244 -1.151 6.604 1.00 0.00 H new ATOM 0 HB3 HIS A 75 20.973 -1.854 5.174 1.00 0.00 H new ATOM 0 HD2 HIS A 75 22.344 -3.761 6.446 1.00 0.00 H new ATOM 0 HE1 HIS A 75 24.823 -1.319 8.828 1.00 0.00 H new ATOM 0 HE2 HIS A 75 24.382 -3.681 8.018 1.00 0.00 H new ATOM 1190 N ALA A 76 23.308 1.414 5.118 1.00 0.00 N ATOM 1191 CA ALA A 76 24.583 1.814 4.559 1.00 0.00 C ATOM 1192 C ALA A 76 25.650 1.574 5.589 1.00 0.00 C ATOM 1193 O ALA A 76 25.527 2.042 6.717 1.00 0.00 O ATOM 1194 CB ALA A 76 24.533 3.287 4.215 1.00 0.00 C ATOM 0 H ALA A 76 23.096 1.874 6.003 1.00 0.00 H new ATOM 0 HA ALA A 76 24.800 1.240 3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 76 25.490 3.595 3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 76 23.742 3.464 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 76 24.331 3.865 5.117 1.00 0.00 H new ATOM 1200 N ALA A 77 26.663 0.830 5.236 1.00 0.00 N ATOM 1201 CA ALA A 77 27.725 0.523 6.168 1.00 0.00 C ATOM 1202 C ALA A 77 29.026 0.367 5.433 1.00 0.00 C ATOM 1203 O ALA A 77 29.049 -0.114 4.291 1.00 0.00 O ATOM 1204 CB ALA A 77 27.407 -0.756 6.937 1.00 0.00 C ATOM 0 H ALA A 77 26.780 0.422 4.308 1.00 0.00 H new ATOM 0 HA ALA A 77 27.812 1.346 6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 77 28.217 -0.972 7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 77 26.477 -0.626 7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 77 27.300 -1.584 6.237 1.00 0.00 H new ATOM 1210 N VAL A 78 30.099 0.762 6.055 1.00 0.00 N ATOM 1211 CA VAL A 78 31.394 0.614 5.461 1.00 0.00 C ATOM 1212 C VAL A 78 32.043 -0.675 5.940 1.00 0.00 C ATOM 1213 O VAL A 78 32.597 -0.776 7.040 1.00 0.00 O ATOM 1214 CB VAL A 78 32.314 1.857 5.664 1.00 0.00 C ATOM 1215 CG1 VAL A 78 32.491 2.221 7.128 1.00 0.00 C ATOM 1216 CG2 VAL A 78 33.662 1.651 4.996 1.00 0.00 C ATOM 0 H VAL A 78 30.101 1.192 6.980 1.00 0.00 H new ATOM 0 HA VAL A 78 31.253 0.548 4.382 1.00 0.00 H new ATOM 0 HB VAL A 78 31.811 2.698 5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 78 33.140 3.093 7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 78 31.519 2.449 7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 78 32.941 1.382 7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 78 34.284 2.532 5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 78 34.153 0.779 5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 78 33.518 1.494 3.927 1.00 0.00 H new ATOM 1226 N GLY A 79 31.874 -1.676 5.160 1.00 0.00 N ATOM 1227 CA GLY A 79 32.418 -2.934 5.466 1.00 0.00 C ATOM 1228 C GLY A 79 32.149 -3.870 4.363 1.00 0.00 C ATOM 1229 O GLY A 79 31.403 -3.532 3.427 1.00 0.00 O ATOM 0 H GLY A 79 31.350 -1.640 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 79 33.492 -2.847 5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 79 31.985 -3.313 6.392 1.00 0.00 H new ATOM 1233 N ALA A 80 32.675 -5.034 4.465 1.00 0.00 N ATOM 1234 CA ALA A 80 32.513 -6.025 3.454 1.00 0.00 C ATOM 1235 C ALA A 80 31.273 -6.841 3.731 1.00 0.00 C ATOM 1236 O ALA A 80 30.608 -6.641 4.750 1.00 0.00 O ATOM 1237 CB ALA A 80 33.754 -6.886 3.374 1.00 0.00 C ATOM 0 H ALA A 80 33.238 -5.335 5.261 1.00 0.00 H new ATOM 0 HA ALA A 80 32.382 -5.546 2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 80 33.623 -7.641 2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 80 34.614 -6.262 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 80 33.920 -7.375 4.334 1.00 0.00 H new ATOM 1243 N ILE A 81 30.942 -7.735 2.834 1.00 0.00 N ATOM 1244 CA ILE A 81 29.755 -8.525 2.980 1.00 0.00 C ATOM 1245 C ILE A 81 29.946 -9.553 4.064 1.00 0.00 C ATOM 1246 O ILE A 81 30.829 -10.417 3.980 1.00 0.00 O ATOM 1247 CB ILE A 81 29.272 -9.187 1.633 1.00 0.00 C ATOM 1248 CG1 ILE A 81 28.554 -8.185 0.719 1.00 0.00 C ATOM 1249 CG2 ILE A 81 28.345 -10.352 1.893 1.00 0.00 C ATOM 1250 CD1 ILE A 81 29.352 -6.998 0.288 1.00 0.00 C ATOM 0 H ILE A 81 31.484 -7.931 1.992 1.00 0.00 H new ATOM 0 HA ILE A 81 28.955 -7.845 3.272 1.00 0.00 H new ATOM 0 HB ILE A 81 30.174 -9.538 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.218 -8.714 -0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.662 -7.829 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 81 28.031 -10.786 0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 81 28.866 -11.107 2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 81 27.469 -10.005 2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 81 28.741 -6.362 -0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 81 29.667 -6.433 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 81 30.231 -7.331 -0.263 1.00 0.00 H new ATOM 1262 N THR A 82 29.155 -9.422 5.079 1.00 0.00 N ATOM 1263 CA THR A 82 29.164 -10.317 6.160 1.00 0.00 C ATOM 1264 C THR A 82 27.740 -10.855 6.280 1.00 0.00 C ATOM 1265 O THR A 82 26.785 -10.193 5.826 1.00 0.00 O ATOM 1266 CB THR A 82 29.660 -9.611 7.467 1.00 0.00 C ATOM 1267 OG1 THR A 82 29.800 -10.546 8.528 1.00 0.00 O ATOM 1268 CG2 THR A 82 28.713 -8.503 7.907 1.00 0.00 C ATOM 0 H THR A 82 28.474 -8.668 5.169 1.00 0.00 H new ATOM 0 HA THR A 82 29.860 -11.140 6.000 1.00 0.00 H new ATOM 0 HB THR A 82 30.630 -9.171 7.235 1.00 0.00 H new ATOM 0 HG1 THR A 82 30.112 -10.083 9.333 1.00 0.00 H new ATOM 0 HG21 THR A 82 29.094 -8.039 8.817 1.00 0.00 H new ATOM 0 HG22 THR A 82 28.641 -7.752 7.120 1.00 0.00 H new ATOM 0 HG23 THR A 82 27.726 -8.923 8.100 1.00 0.00 H new ATOM 1276 N GLU A 83 27.583 -12.026 6.854 1.00 0.00 N ATOM 1277 CA GLU A 83 26.290 -12.701 6.898 1.00 0.00 C ATOM 1278 C GLU A 83 25.255 -11.932 7.718 1.00 0.00 C ATOM 1279 O GLU A 83 24.061 -12.030 7.455 1.00 0.00 O ATOM 1280 CB GLU A 83 26.417 -14.177 7.347 1.00 0.00 C ATOM 1281 CG GLU A 83 26.829 -14.428 8.793 1.00 0.00 C ATOM 1282 CD GLU A 83 28.127 -13.802 9.153 1.00 0.00 C ATOM 1283 OE1 GLU A 83 29.177 -14.348 8.793 1.00 0.00 O ATOM 1284 OE2 GLU A 83 28.120 -12.731 9.769 1.00 0.00 O ATOM 0 H GLU A 83 28.339 -12.542 7.304 1.00 0.00 H new ATOM 0 HA GLU A 83 25.916 -12.717 5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 83 25.458 -14.666 7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 83 27.143 -14.667 6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 83 26.053 -14.045 9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 83 26.892 -15.503 8.964 1.00 0.00 H new ATOM 1291 N SER A 84 25.723 -11.148 8.680 1.00 0.00 N ATOM 1292 CA SER A 84 24.849 -10.308 9.477 1.00 0.00 C ATOM 1293 C SER A 84 24.193 -9.227 8.592 1.00 0.00 C ATOM 1294 O SER A 84 23.077 -8.805 8.853 1.00 0.00 O ATOM 1295 CB SER A 84 25.628 -9.680 10.653 1.00 0.00 C ATOM 1296 OG SER A 84 24.784 -8.918 11.526 1.00 0.00 O ATOM 0 H SER A 84 26.710 -11.079 8.926 1.00 0.00 H new ATOM 0 HA SER A 84 24.054 -10.924 9.898 1.00 0.00 H new ATOM 0 HB2 SER A 84 26.117 -10.470 11.224 1.00 0.00 H new ATOM 0 HB3 SER A 84 26.415 -9.036 10.261 1.00 0.00 H new ATOM 0 HG SER A 84 25.321 -8.542 12.254 1.00 0.00 H new ATOM 1302 N ASP A 85 24.874 -8.817 7.525 1.00 0.00 N ATOM 1303 CA ASP A 85 24.307 -7.836 6.600 1.00 0.00 C ATOM 1304 C ASP A 85 23.387 -8.530 5.633 1.00 0.00 C ATOM 1305 O ASP A 85 22.379 -7.982 5.201 1.00 0.00 O ATOM 1306 CB ASP A 85 25.389 -7.062 5.823 1.00 0.00 C ATOM 1307 CG ASP A 85 25.979 -5.880 6.571 1.00 0.00 C ATOM 1308 OD1 ASP A 85 25.283 -4.881 6.782 1.00 0.00 O ATOM 1309 OD2 ASP A 85 27.179 -5.906 6.877 1.00 0.00 O ATOM 0 H ASP A 85 25.809 -9.144 7.280 1.00 0.00 H new ATOM 0 HA ASP A 85 23.754 -7.109 7.195 1.00 0.00 H new ATOM 0 HB2 ASP A 85 26.194 -7.750 5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 85 24.960 -6.705 4.886 1.00 0.00 H new ATOM 1314 N ILE A 86 23.726 -9.758 5.314 1.00 0.00 N ATOM 1315 CA ILE A 86 22.934 -10.565 4.403 1.00 0.00 C ATOM 1316 C ILE A 86 21.577 -10.946 4.997 1.00 0.00 C ATOM 1317 O ILE A 86 20.592 -11.100 4.275 1.00 0.00 O ATOM 1318 CB ILE A 86 23.718 -11.797 3.982 1.00 0.00 C ATOM 1319 CG1 ILE A 86 24.973 -11.349 3.261 1.00 0.00 C ATOM 1320 CG2 ILE A 86 22.893 -12.719 3.110 1.00 0.00 C ATOM 1321 CD1 ILE A 86 25.764 -12.471 2.710 1.00 0.00 C ATOM 0 H ILE A 86 24.556 -10.228 5.676 1.00 0.00 H new ATOM 0 HA ILE A 86 22.726 -9.962 3.519 1.00 0.00 H new ATOM 0 HB ILE A 86 23.985 -12.368 4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 86 24.697 -10.676 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 86 25.596 -10.779 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 86 23.490 -13.587 2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 86 22.011 -13.047 3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 86 22.583 -12.188 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 86 26.648 -12.080 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 86 26.070 -13.133 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 86 25.157 -13.028 1.996 1.00 0.00 H new ATOM 1333 N SER A 87 21.516 -11.071 6.296 1.00 0.00 N ATOM 1334 CA SER A 87 20.254 -11.317 6.966 1.00 0.00 C ATOM 1335 C SER A 87 19.218 -10.195 6.685 1.00 0.00 C ATOM 1336 O SER A 87 18.008 -10.434 6.722 1.00 0.00 O ATOM 1337 CB SER A 87 20.506 -11.518 8.444 1.00 0.00 C ATOM 1338 OG SER A 87 21.416 -12.588 8.604 1.00 0.00 O ATOM 0 H SER A 87 22.323 -11.007 6.917 1.00 0.00 H new ATOM 0 HA SER A 87 19.810 -12.228 6.565 1.00 0.00 H new ATOM 0 HB2 SER A 87 20.911 -10.608 8.886 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.571 -11.735 8.961 1.00 0.00 H new ATOM 0 HG SER A 87 22.315 -12.294 8.349 1.00 0.00 H new ATOM 1344 N LEU A 88 19.705 -8.998 6.348 1.00 0.00 N ATOM 1345 CA LEU A 88 18.849 -7.896 5.959 1.00 0.00 C ATOM 1346 C LEU A 88 18.364 -8.117 4.533 1.00 0.00 C ATOM 1347 O LEU A 88 17.219 -7.780 4.188 1.00 0.00 O ATOM 1348 CB LEU A 88 19.618 -6.540 6.109 1.00 0.00 C ATOM 1349 CG LEU A 88 18.925 -5.224 5.627 1.00 0.00 C ATOM 1350 CD1 LEU A 88 19.026 -5.041 4.113 1.00 0.00 C ATOM 1351 CD2 LEU A 88 17.469 -5.228 6.030 1.00 0.00 C ATOM 0 H LEU A 88 20.700 -8.775 6.340 1.00 0.00 H new ATOM 0 HA LEU A 88 17.978 -7.850 6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.865 -6.416 7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 88 20.560 -6.634 5.569 1.00 0.00 H new ATOM 0 HG LEU A 88 19.446 -4.393 6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.531 -4.114 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 88 20.075 -4.998 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.544 -5.881 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.995 -4.307 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.968 -6.083 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.392 -5.296 7.115 1.00 0.00 H new ATOM 1363 N ALA A 89 19.218 -8.703 3.728 1.00 0.00 N ATOM 1364 CA ALA A 89 18.945 -8.938 2.330 1.00 0.00 C ATOM 1365 C ALA A 89 17.667 -9.744 2.151 1.00 0.00 C ATOM 1366 O ALA A 89 16.758 -9.286 1.532 1.00 0.00 O ATOM 1367 CB ALA A 89 20.129 -9.596 1.662 1.00 0.00 C ATOM 0 H ALA A 89 20.134 -9.034 4.030 1.00 0.00 H new ATOM 0 HA ALA A 89 18.786 -7.977 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 89 19.905 -9.765 0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 89 21.001 -8.948 1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 89 20.336 -10.550 2.147 1.00 0.00 H new ATOM 1373 N THR A 90 17.587 -10.911 2.736 1.00 0.00 N ATOM 1374 CA THR A 90 16.350 -11.690 2.667 1.00 0.00 C ATOM 1375 C THR A 90 15.179 -10.999 3.428 1.00 0.00 C ATOM 1376 O THR A 90 14.020 -11.098 3.018 1.00 0.00 O ATOM 1377 CB THR A 90 16.552 -13.150 3.159 1.00 0.00 C ATOM 1378 OG1 THR A 90 15.295 -13.828 3.313 1.00 0.00 O ATOM 1379 CG2 THR A 90 17.335 -13.200 4.457 1.00 0.00 C ATOM 0 H THR A 90 18.344 -11.349 3.261 1.00 0.00 H new ATOM 0 HA THR A 90 16.073 -11.735 1.614 1.00 0.00 H new ATOM 0 HB THR A 90 17.131 -13.665 2.393 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.453 -14.744 3.622 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.456 -14.237 4.769 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.316 -12.749 4.308 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.796 -12.649 5.228 1.00 0.00 H new ATOM 1387 N ALA A 91 15.506 -10.250 4.488 1.00 0.00 N ATOM 1388 CA ALA A 91 14.495 -9.585 5.326 1.00 0.00 C ATOM 1389 C ALA A 91 13.674 -8.562 4.540 1.00 0.00 C ATOM 1390 O ALA A 91 12.434 -8.637 4.490 1.00 0.00 O ATOM 1391 CB ALA A 91 15.150 -8.914 6.523 1.00 0.00 C ATOM 0 H ALA A 91 16.467 -10.087 4.789 1.00 0.00 H new ATOM 0 HA ALA A 91 13.812 -10.360 5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.387 -8.428 7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.668 -9.663 7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.866 -8.169 6.176 1.00 0.00 H new ATOM 1397 N SER A 92 14.346 -7.627 3.927 1.00 0.00 N ATOM 1398 CA SER A 92 13.674 -6.590 3.180 1.00 0.00 C ATOM 1399 C SER A 92 13.722 -6.877 1.684 1.00 0.00 C ATOM 1400 O SER A 92 13.305 -6.057 0.873 1.00 0.00 O ATOM 1401 CB SER A 92 14.303 -5.248 3.504 1.00 0.00 C ATOM 1402 OG SER A 92 14.266 -5.005 4.904 1.00 0.00 O ATOM 0 H SER A 92 15.364 -7.558 3.928 1.00 0.00 H new ATOM 0 HA SER A 92 12.623 -6.565 3.469 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.335 -5.229 3.153 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.773 -4.455 2.977 1.00 0.00 H new ATOM 0 HG SER A 92 14.677 -4.136 5.096 1.00 0.00 H new ATOM 1408 N ASN A 93 14.258 -8.044 1.342 1.00 0.00 N ATOM 1409 CA ASN A 93 14.386 -8.516 -0.061 1.00 0.00 C ATOM 1410 C ASN A 93 15.319 -7.609 -0.827 1.00 0.00 C ATOM 1411 O ASN A 93 15.147 -7.358 -2.025 1.00 0.00 O ATOM 1412 CB ASN A 93 13.029 -8.660 -0.786 1.00 0.00 C ATOM 1413 CG ASN A 93 12.159 -9.772 -0.225 1.00 0.00 C ATOM 1414 OD1 ASN A 93 12.257 -10.932 -0.639 1.00 0.00 O ATOM 1415 ND2 ASN A 93 11.277 -9.438 0.673 1.00 0.00 N ATOM 0 H ASN A 93 14.624 -8.706 2.026 1.00 0.00 H new ATOM 0 HA ASN A 93 14.808 -9.520 -0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.488 -7.716 -0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 93 13.209 -8.849 -1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 93 10.644 -10.142 1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 93 11.219 -8.472 0.996 1.00 0.00 H new ATOM 1422 N ALA A 94 16.346 -7.175 -0.140 1.00 0.00 N ATOM 1423 CA ALA A 94 17.328 -6.303 -0.689 1.00 0.00 C ATOM 1424 C ALA A 94 18.477 -7.121 -1.225 1.00 0.00 C ATOM 1425 O ALA A 94 18.684 -8.259 -0.818 1.00 0.00 O ATOM 1426 CB ALA A 94 17.843 -5.384 0.395 1.00 0.00 C ATOM 0 H ALA A 94 16.517 -7.428 0.833 1.00 0.00 H new ATOM 0 HA ALA A 94 16.885 -5.715 -1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.595 -4.715 -0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.017 -4.796 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.288 -5.977 1.194 1.00 0.00 H new ATOM 1432 N ILE A 95 19.197 -6.568 -2.140 1.00 0.00 N ATOM 1433 CA ILE A 95 20.365 -7.218 -2.675 1.00 0.00 C ATOM 1434 C ILE A 95 21.560 -6.463 -2.138 1.00 0.00 C ATOM 1435 O ILE A 95 21.547 -5.224 -2.111 1.00 0.00 O ATOM 1436 CB ILE A 95 20.395 -7.254 -4.264 1.00 0.00 C ATOM 1437 CG1 ILE A 95 19.230 -8.086 -4.872 1.00 0.00 C ATOM 1438 CG2 ILE A 95 21.727 -7.780 -4.798 1.00 0.00 C ATOM 1439 CD1 ILE A 95 17.850 -7.450 -4.784 1.00 0.00 C ATOM 0 H ILE A 95 19.001 -5.653 -2.545 1.00 0.00 H new ATOM 0 HA ILE A 95 20.367 -8.264 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 95 20.270 -6.218 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 95 19.455 -8.279 -5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 95 19.197 -9.053 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 95 21.704 -7.788 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 95 22.536 -7.135 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 95 21.891 -8.793 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 95 17.114 -8.114 -5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 95 17.593 -7.283 -3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 95 17.854 -6.497 -5.314 1.00 0.00 H new ATOM 1451 N VAL A 96 22.573 -7.177 -1.704 1.00 0.00 N ATOM 1452 CA VAL A 96 23.713 -6.539 -1.108 1.00 0.00 C ATOM 1453 C VAL A 96 24.757 -6.301 -2.155 1.00 0.00 C ATOM 1454 O VAL A 96 25.428 -7.238 -2.614 1.00 0.00 O ATOM 1455 CB VAL A 96 24.343 -7.372 0.047 1.00 0.00 C ATOM 1456 CG1 VAL A 96 25.366 -6.547 0.811 1.00 0.00 C ATOM 1457 CG2 VAL A 96 23.290 -7.931 0.987 1.00 0.00 C ATOM 0 H VAL A 96 22.627 -8.194 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 96 23.361 -5.600 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 96 24.852 -8.222 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 96 25.793 -7.149 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 96 26.159 -6.231 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 96 24.881 -5.668 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.775 -8.505 1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.725 -7.111 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.613 -8.580 0.431 1.00 0.00 H new ATOM 1467 N ILE A 97 24.855 -5.074 -2.569 1.00 0.00 N ATOM 1468 CA ILE A 97 25.829 -4.695 -3.534 1.00 0.00 C ATOM 1469 C ILE A 97 27.045 -4.175 -2.795 1.00 0.00 C ATOM 1470 O ILE A 97 26.988 -3.144 -2.110 1.00 0.00 O ATOM 1471 CB ILE A 97 25.292 -3.624 -4.527 1.00 0.00 C ATOM 1472 CG1 ILE A 97 23.978 -4.116 -5.177 1.00 0.00 C ATOM 1473 CG2 ILE A 97 26.341 -3.344 -5.608 1.00 0.00 C ATOM 1474 CD1 ILE A 97 23.344 -3.131 -6.146 1.00 0.00 C ATOM 0 H ILE A 97 24.260 -4.311 -2.245 1.00 0.00 H new ATOM 0 HA ILE A 97 26.088 -5.566 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 97 25.091 -2.702 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 97 24.176 -5.049 -5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.261 -4.343 -4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 97 25.959 -2.593 -6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 97 27.255 -2.976 -5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 97 26.557 -4.263 -6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 97 22.428 -3.559 -6.553 1.00 0.00 H new ATOM 0 HD12 ILE A 97 23.109 -2.205 -5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 97 24.039 -2.922 -6.959 1.00 0.00 H new ATOM 1486 N GLY A 98 28.106 -4.917 -2.894 1.00 0.00 N ATOM 1487 CA GLY A 98 29.316 -4.574 -2.247 1.00 0.00 C ATOM 1488 C GLY A 98 30.274 -4.012 -3.229 1.00 0.00 C ATOM 1489 O GLY A 98 30.479 -4.584 -4.317 1.00 0.00 O ATOM 0 H GLY A 98 28.147 -5.782 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 98 29.123 -3.847 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 98 29.746 -5.455 -1.770 1.00 0.00 H new ATOM 1493 N PHE A 99 30.902 -2.954 -2.873 1.00 0.00 N ATOM 1494 CA PHE A 99 31.743 -2.276 -3.817 1.00 0.00 C ATOM 1495 C PHE A 99 33.171 -2.556 -3.526 1.00 0.00 C ATOM 1496 O PHE A 99 33.763 -1.953 -2.631 1.00 0.00 O ATOM 1497 CB PHE A 99 31.455 -0.775 -3.863 1.00 0.00 C ATOM 1498 CG PHE A 99 30.064 -0.457 -4.331 1.00 0.00 C ATOM 1499 CD1 PHE A 99 29.796 -0.311 -5.680 1.00 0.00 C ATOM 1500 CD2 PHE A 99 29.026 -0.315 -3.424 1.00 0.00 C ATOM 1501 CE1 PHE A 99 28.520 -0.031 -6.116 1.00 0.00 C ATOM 1502 CE2 PHE A 99 27.750 -0.034 -3.854 1.00 0.00 C ATOM 1503 CZ PHE A 99 27.496 0.109 -5.203 1.00 0.00 C ATOM 0 H PHE A 99 30.858 -2.532 -1.945 1.00 0.00 H new ATOM 0 HA PHE A 99 31.517 -2.662 -4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 99 31.603 -0.352 -2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 99 32.174 -0.293 -4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 99 30.595 -0.418 -6.399 1.00 0.00 H new ATOM 0 HD2 PHE A 99 29.221 -0.426 -2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 99 28.322 0.079 -7.172 1.00 0.00 H new ATOM 0 HE2 PHE A 99 26.949 0.074 -3.138 1.00 0.00 H new ATOM 0 HZ PHE A 99 26.495 0.331 -5.544 1.00 0.00 H new ATOM 1513 N ASN A 100 33.687 -3.568 -4.217 1.00 0.00 N ATOM 1514 CA ASN A 100 35.095 -4.039 -4.142 1.00 0.00 C ATOM 1515 C ASN A 100 35.416 -4.756 -2.830 1.00 0.00 C ATOM 1516 O ASN A 100 36.348 -5.556 -2.766 1.00 0.00 O ATOM 1517 CB ASN A 100 36.113 -2.913 -4.429 1.00 0.00 C ATOM 1518 CG ASN A 100 36.039 -2.383 -5.861 1.00 0.00 C ATOM 1519 OD1 ASN A 100 34.977 -2.386 -6.496 1.00 0.00 O ATOM 1520 ND2 ASN A 100 37.147 -1.921 -6.370 1.00 0.00 N ATOM 0 H ASN A 100 33.128 -4.113 -4.873 1.00 0.00 H new ATOM 0 HA ASN A 100 35.195 -4.777 -4.938 1.00 0.00 H new ATOM 0 HB2 ASN A 100 35.940 -2.091 -3.735 1.00 0.00 H new ATOM 0 HB3 ASN A 100 37.120 -3.285 -4.238 1.00 0.00 H new ATOM 0 HD21 ASN A 100 37.155 -1.547 -7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 100 38.005 -1.933 -5.819 1.00 0.00 H new ATOM 1527 N VAL A 101 34.631 -4.468 -1.807 1.00 0.00 N ATOM 1528 CA VAL A 101 34.752 -5.066 -0.490 1.00 0.00 C ATOM 1529 C VAL A 101 34.720 -6.582 -0.488 1.00 0.00 C ATOM 1530 O VAL A 101 35.581 -7.211 0.142 1.00 0.00 O ATOM 1531 CB VAL A 101 33.713 -4.521 0.505 1.00 0.00 C ATOM 1532 CG1 VAL A 101 34.131 -3.184 1.035 1.00 0.00 C ATOM 1533 CG2 VAL A 101 32.323 -4.428 -0.109 1.00 0.00 C ATOM 0 H VAL A 101 33.870 -3.792 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 101 35.747 -4.768 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 101 33.664 -5.232 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 101 33.380 -2.820 1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 101 35.089 -3.279 1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 101 34.228 -2.479 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 101 31.624 -4.038 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 101 32.350 -3.760 -0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 101 31.999 -5.419 -0.428 1.00 0.00 H new ATOM 1543 N ARG A 102 33.723 -7.164 -1.182 1.00 0.00 N ATOM 1544 CA ARG A 102 33.577 -8.627 -1.310 1.00 0.00 C ATOM 1545 C ARG A 102 33.096 -9.277 0.015 1.00 0.00 C ATOM 1546 O ARG A 102 32.941 -8.582 1.008 1.00 0.00 O ATOM 1547 CB ARG A 102 34.874 -9.222 -1.873 1.00 0.00 C ATOM 1548 CG ARG A 102 35.117 -8.806 -3.310 1.00 0.00 C ATOM 1549 CD ARG A 102 36.577 -8.878 -3.669 1.00 0.00 C ATOM 1550 NE ARG A 102 37.163 -10.178 -3.371 1.00 0.00 N ATOM 1551 CZ ARG A 102 38.376 -10.355 -2.836 1.00 0.00 C ATOM 1552 NH1 ARG A 102 39.142 -9.296 -2.517 1.00 0.00 N ATOM 1553 NH2 ARG A 102 38.819 -11.580 -2.609 1.00 0.00 N ATOM 0 H ARG A 102 32.999 -6.635 -1.668 1.00 0.00 H new ATOM 0 HA ARG A 102 32.786 -8.857 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 102 35.715 -8.904 -1.257 1.00 0.00 H new ATOM 0 HB3 ARG A 102 34.829 -10.309 -1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 102 34.545 -9.451 -3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 102 34.754 -7.789 -3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 102 36.697 -8.664 -4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 102 37.120 -8.105 -3.125 1.00 0.00 H new ATOM 0 HE ARG A 102 36.611 -11.009 -3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 102 38.799 -8.350 -2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 102 40.066 -9.439 -2.109 1.00 0.00 H new ATOM 0 HH21 ARG A 102 38.236 -12.384 -2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 102 39.743 -11.721 -2.201 1.00 0.00 H new ATOM 1566 N PRO A 103 32.738 -10.576 0.030 1.00 0.00 N ATOM 1567 CA PRO A 103 32.277 -11.243 1.235 1.00 0.00 C ATOM 1568 C PRO A 103 33.343 -12.090 1.903 1.00 0.00 C ATOM 1569 O PRO A 103 34.519 -12.078 1.522 1.00 0.00 O ATOM 1570 CB PRO A 103 31.201 -12.199 0.698 1.00 0.00 C ATOM 1571 CG PRO A 103 31.422 -12.279 -0.792 1.00 0.00 C ATOM 1572 CD PRO A 103 32.669 -11.500 -1.101 1.00 0.00 C ATOM 0 HA PRO A 103 31.954 -10.515 1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 103 31.288 -13.183 1.159 1.00 0.00 H new ATOM 0 HB3 PRO A 103 30.201 -11.828 0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 103 31.528 -13.316 -1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 103 30.568 -11.867 -1.330 1.00 0.00 H new ATOM 0 HD2 PRO A 103 33.548 -12.142 -1.157 1.00 0.00 H new ATOM 0 HD3 PRO A 103 32.596 -10.975 -2.053 1.00 0.00 H new ATOM 1580 N ASP A 104 32.911 -12.804 2.902 1.00 0.00 N ATOM 1581 CA ASP A 104 33.706 -13.812 3.541 1.00 0.00 C ATOM 1582 C ASP A 104 33.153 -15.169 3.115 1.00 0.00 C ATOM 1583 O ASP A 104 32.109 -15.233 2.434 1.00 0.00 O ATOM 1584 CB ASP A 104 33.694 -13.678 5.073 1.00 0.00 C ATOM 1585 CG ASP A 104 32.333 -13.858 5.690 1.00 0.00 C ATOM 1586 OD1 ASP A 104 31.899 -15.006 5.868 1.00 0.00 O ATOM 1587 OD2 ASP A 104 31.694 -12.854 6.035 1.00 0.00 O ATOM 0 H ASP A 104 31.979 -12.700 3.303 1.00 0.00 H new ATOM 0 HA ASP A 104 34.746 -13.700 3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 104 34.375 -14.415 5.498 1.00 0.00 H new ATOM 0 HB3 ASP A 104 34.078 -12.695 5.345 1.00 0.00 H new ATOM 1592 N ALA A 105 33.787 -16.233 3.546 1.00 0.00 N ATOM 1593 CA ALA A 105 33.440 -17.574 3.100 1.00 0.00 C ATOM 1594 C ALA A 105 32.141 -18.107 3.707 1.00 0.00 C ATOM 1595 O ALA A 105 31.621 -19.106 3.247 1.00 0.00 O ATOM 1596 CB ALA A 105 34.590 -18.537 3.346 1.00 0.00 C ATOM 0 H ALA A 105 34.557 -16.201 4.214 1.00 0.00 H new ATOM 0 HA ALA A 105 33.259 -17.499 2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 105 34.309 -19.534 3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 105 35.470 -18.201 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 105 34.817 -18.568 4.412 1.00 0.00 H new ATOM 1602 N ASN A 106 31.623 -17.449 4.708 1.00 0.00 N ATOM 1603 CA ASN A 106 30.371 -17.867 5.332 1.00 0.00 C ATOM 1604 C ASN A 106 29.250 -17.009 4.840 1.00 0.00 C ATOM 1605 O ASN A 106 28.173 -17.509 4.563 1.00 0.00 O ATOM 1606 CB ASN A 106 30.472 -17.841 6.860 1.00 0.00 C ATOM 1607 CG ASN A 106 29.154 -18.135 7.580 1.00 0.00 C ATOM 1608 OD1 ASN A 106 28.787 -19.290 7.796 1.00 0.00 O ATOM 1609 ND2 ASN A 106 28.487 -17.113 8.036 1.00 0.00 N ATOM 0 H ASN A 106 32.042 -16.615 5.120 1.00 0.00 H new ATOM 0 HA ASN A 106 30.167 -18.899 5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 106 31.217 -18.571 7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 106 30.833 -16.861 7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 106 27.640 -17.261 8.585 1.00 0.00 H new ATOM 0 HD22 ASN A 106 28.811 -16.165 7.844 1.00 0.00 H new ATOM 1616 N ALA A 107 29.509 -15.720 4.705 1.00 0.00 N ATOM 1617 CA ALA A 107 28.528 -14.799 4.149 1.00 0.00 C ATOM 1618 C ALA A 107 28.097 -15.240 2.763 1.00 0.00 C ATOM 1619 O ALA A 107 26.909 -15.293 2.471 1.00 0.00 O ATOM 1620 CB ALA A 107 29.057 -13.379 4.108 1.00 0.00 C ATOM 0 H ALA A 107 30.392 -15.285 4.973 1.00 0.00 H new ATOM 0 HA ALA A 107 27.659 -14.815 4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 107 28.298 -12.720 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 107 29.301 -13.052 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 107 29.953 -13.342 3.488 1.00 0.00 H new ATOM 1626 N LYS A 108 29.070 -15.596 1.929 1.00 0.00 N ATOM 1627 CA LYS A 108 28.806 -16.059 0.561 1.00 0.00 C ATOM 1628 C LYS A 108 27.800 -17.254 0.537 1.00 0.00 C ATOM 1629 O LYS A 108 26.954 -17.344 -0.350 1.00 0.00 O ATOM 1630 CB LYS A 108 30.129 -16.451 -0.141 1.00 0.00 C ATOM 1631 CG LYS A 108 30.751 -17.747 0.344 1.00 0.00 C ATOM 1632 CD LYS A 108 31.975 -18.099 -0.466 1.00 0.00 C ATOM 1633 CE LYS A 108 32.519 -19.451 -0.068 1.00 0.00 C ATOM 1634 NZ LYS A 108 33.675 -19.839 -0.895 1.00 0.00 N ATOM 0 H LYS A 108 30.059 -15.574 2.176 1.00 0.00 H new ATOM 0 HA LYS A 108 28.347 -15.233 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 108 29.944 -16.532 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 108 30.850 -15.645 -0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 108 31.022 -17.653 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 108 30.021 -18.553 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 108 31.725 -18.102 -1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 108 32.742 -17.338 -0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 108 32.813 -19.430 0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 108 31.734 -20.202 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 34.021 -20.772 -0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 33.388 -19.883 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 34.433 -19.136 -0.783 1.00 0.00 H new ATOM 1647 N ARG A 109 27.877 -18.109 1.562 1.00 0.00 N ATOM 1648 CA ARG A 109 27.114 -19.254 1.730 1.00 0.00 C ATOM 1649 C ARG A 109 25.750 -18.879 2.259 1.00 0.00 C ATOM 1650 O ARG A 109 24.709 -19.290 1.722 1.00 0.00 O ATOM 1651 CB ARG A 109 27.833 -20.040 2.789 1.00 0.00 C ATOM 1652 CG ARG A 109 29.145 -20.669 2.402 1.00 0.00 C ATOM 1653 CD ARG A 109 29.545 -21.789 3.359 1.00 0.00 C ATOM 1654 NE ARG A 109 29.555 -21.367 4.768 1.00 0.00 N ATOM 1655 CZ ARG A 109 30.520 -21.648 5.654 1.00 0.00 C ATOM 1656 NH1 ARG A 109 31.633 -22.240 5.269 1.00 0.00 N ATOM 1657 NH2 ARG A 109 30.364 -21.316 6.924 1.00 0.00 N ATOM 0 H ARG A 109 28.536 -17.968 2.328 1.00 0.00 H new ATOM 0 HA ARG A 109 26.988 -19.804 0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 109 28.011 -19.380 3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 109 27.167 -20.831 3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 109 29.072 -21.066 1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 109 29.924 -19.906 2.390 1.00 0.00 H new ATOM 0 HD2 ARG A 109 28.854 -22.624 3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 109 30.536 -22.154 3.088 1.00 0.00 H new ATOM 0 HE ARG A 109 28.763 -20.815 5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 109 31.766 -22.488 4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 109 32.362 -22.450 5.951 1.00 0.00 H new ATOM 0 HH21 ARG A 109 29.511 -20.847 7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 109 31.097 -21.529 7.601 1.00 0.00 H new ATOM 1670 N ALA A 110 25.784 -18.069 3.315 1.00 0.00 N ATOM 1671 CA ALA A 110 24.620 -17.587 4.012 1.00 0.00 C ATOM 1672 C ALA A 110 23.670 -16.942 3.060 1.00 0.00 C ATOM 1673 O ALA A 110 22.504 -17.237 3.095 1.00 0.00 O ATOM 1674 CB ALA A 110 25.032 -16.608 5.091 1.00 0.00 C ATOM 0 H ALA A 110 26.658 -17.725 3.713 1.00 0.00 H new ATOM 0 HA ALA A 110 24.115 -18.433 4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 110 24.146 -16.248 5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 110 25.694 -17.105 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 110 25.553 -15.765 4.638 1.00 0.00 H new ATOM 1680 N ALA A 111 24.219 -16.129 2.152 1.00 0.00 N ATOM 1681 CA ALA A 111 23.450 -15.412 1.130 1.00 0.00 C ATOM 1682 C ALA A 111 22.540 -16.331 0.392 1.00 0.00 C ATOM 1683 O ALA A 111 21.346 -16.088 0.252 1.00 0.00 O ATOM 1684 CB ALA A 111 24.389 -14.754 0.124 1.00 0.00 C ATOM 0 H ALA A 111 25.222 -15.948 2.106 1.00 0.00 H new ATOM 0 HA ALA A 111 22.857 -14.655 1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 111 23.804 -14.226 -0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 111 25.038 -14.047 0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 111 24.997 -15.518 -0.360 1.00 0.00 H new ATOM 1690 N GLU A 112 23.083 -17.416 -0.005 1.00 0.00 N ATOM 1691 CA GLU A 112 22.389 -18.315 -0.847 1.00 0.00 C ATOM 1692 C GLU A 112 21.408 -19.172 -0.097 1.00 0.00 C ATOM 1693 O GLU A 112 20.339 -19.519 -0.619 1.00 0.00 O ATOM 1694 CB GLU A 112 23.367 -19.108 -1.654 1.00 0.00 C ATOM 1695 CG GLU A 112 24.134 -18.265 -2.643 1.00 0.00 C ATOM 1696 CD GLU A 112 25.087 -19.065 -3.477 1.00 0.00 C ATOM 1697 OE1 GLU A 112 26.157 -19.439 -2.978 1.00 0.00 O ATOM 1698 OE2 GLU A 112 24.801 -19.295 -4.664 1.00 0.00 O ATOM 0 H GLU A 112 24.027 -17.710 0.245 1.00 0.00 H new ATOM 0 HA GLU A 112 21.776 -17.736 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 112 24.070 -19.600 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.835 -19.894 -2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 112 23.430 -17.751 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 112 24.688 -17.496 -2.104 1.00 0.00 H new ATOM 1705 N SER A 113 21.712 -19.451 1.119 1.00 0.00 N ATOM 1706 CA SER A 113 20.821 -20.190 1.959 1.00 0.00 C ATOM 1707 C SER A 113 19.807 -19.205 2.586 1.00 0.00 C ATOM 1708 O SER A 113 18.964 -19.569 3.411 1.00 0.00 O ATOM 1709 CB SER A 113 21.644 -20.950 3.003 1.00 0.00 C ATOM 1710 OG SER A 113 20.833 -21.762 3.839 1.00 0.00 O ATOM 0 H SER A 113 22.586 -19.176 1.567 1.00 0.00 H new ATOM 0 HA SER A 113 20.253 -20.930 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 113 22.381 -21.574 2.498 1.00 0.00 H new ATOM 0 HB3 SER A 113 22.196 -20.238 3.616 1.00 0.00 H new ATOM 0 HG SER A 113 19.919 -21.410 3.850 1.00 0.00 H new ATOM 1716 N GLU A 114 19.910 -17.966 2.154 1.00 0.00 N ATOM 1717 CA GLU A 114 19.051 -16.900 2.544 1.00 0.00 C ATOM 1718 C GLU A 114 18.323 -16.352 1.403 1.00 0.00 C ATOM 1719 O GLU A 114 17.805 -15.243 1.483 1.00 0.00 O ATOM 1720 CB GLU A 114 19.808 -15.802 3.188 1.00 0.00 C ATOM 1721 CG GLU A 114 19.972 -16.049 4.647 1.00 0.00 C ATOM 1722 CD GLU A 114 20.588 -14.940 5.476 1.00 0.00 C ATOM 1723 OE1 GLU A 114 21.799 -14.709 5.373 1.00 0.00 O ATOM 1724 OE2 GLU A 114 19.872 -14.374 6.348 1.00 0.00 O ATOM 0 H GLU A 114 20.631 -17.676 1.493 1.00 0.00 H new ATOM 0 HA GLU A 114 18.343 -17.323 3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.788 -15.708 2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.288 -14.857 3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.990 -16.275 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.584 -16.942 4.771 1.00 0.00 H new ATOM 1731 N LYS A 115 18.293 -17.113 0.320 1.00 0.00 N ATOM 1732 CA LYS A 115 17.537 -16.786 -0.844 1.00 0.00 C ATOM 1733 C LYS A 115 18.039 -15.545 -1.573 1.00 0.00 C ATOM 1734 O LYS A 115 17.398 -15.086 -2.506 1.00 0.00 O ATOM 1735 CB LYS A 115 16.133 -16.563 -0.407 1.00 0.00 C ATOM 1736 CG LYS A 115 15.401 -17.778 0.115 1.00 0.00 C ATOM 1737 CD LYS A 115 14.028 -17.391 0.650 1.00 0.00 C ATOM 1738 CE LYS A 115 14.129 -16.335 1.751 1.00 0.00 C ATOM 1739 NZ LYS A 115 12.814 -15.916 2.262 1.00 0.00 N ATOM 0 H LYS A 115 18.809 -17.989 0.240 1.00 0.00 H new ATOM 0 HA LYS A 115 17.632 -17.609 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.133 -15.801 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.571 -16.159 -1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.292 -18.513 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.985 -18.249 0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.414 -17.009 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.526 -18.277 1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.724 -16.731 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.658 -15.464 1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.942 -15.200 3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.252 -15.512 1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.317 -16.740 2.657 1.00 0.00 H new ATOM 1752 N VAL A 116 19.155 -15.012 -1.182 1.00 0.00 N ATOM 1753 CA VAL A 116 19.616 -13.795 -1.791 1.00 0.00 C ATOM 1754 C VAL A 116 20.925 -13.982 -2.495 1.00 0.00 C ATOM 1755 O VAL A 116 21.545 -15.057 -2.430 1.00 0.00 O ATOM 1756 CB VAL A 116 19.684 -12.621 -0.782 1.00 0.00 C ATOM 1757 CG1 VAL A 116 18.288 -12.160 -0.429 1.00 0.00 C ATOM 1758 CG2 VAL A 116 20.412 -13.045 0.474 1.00 0.00 C ATOM 0 H VAL A 116 19.760 -15.391 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 116 18.874 -13.529 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 116 20.229 -11.799 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.346 -11.335 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 116 17.776 -11.827 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 116 17.735 -12.985 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 116 20.451 -12.209 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.884 -13.879 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 116 21.426 -13.353 0.220 1.00 0.00 H new ATOM 1768 N ASP A 117 21.326 -12.985 -3.201 1.00 0.00 N ATOM 1769 CA ASP A 117 22.572 -13.017 -3.879 1.00 0.00 C ATOM 1770 C ASP A 117 23.297 -11.744 -3.580 1.00 0.00 C ATOM 1771 O ASP A 117 22.679 -10.689 -3.390 1.00 0.00 O ATOM 1772 CB ASP A 117 22.426 -13.231 -5.410 1.00 0.00 C ATOM 1773 CG ASP A 117 21.842 -12.051 -6.178 1.00 0.00 C ATOM 1774 OD1 ASP A 117 20.595 -11.924 -6.264 1.00 0.00 O ATOM 1775 OD2 ASP A 117 22.616 -11.267 -6.762 1.00 0.00 O ATOM 0 H ASP A 117 20.797 -12.122 -3.325 1.00 0.00 H new ATOM 0 HA ASP A 117 23.140 -13.875 -3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 117 23.408 -13.463 -5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 117 21.794 -14.103 -5.580 1.00 0.00 H new ATOM 1780 N ILE A 118 24.572 -11.844 -3.451 1.00 0.00 N ATOM 1781 CA ILE A 118 25.379 -10.702 -3.184 1.00 0.00 C ATOM 1782 C ILE A 118 26.059 -10.259 -4.452 1.00 0.00 C ATOM 1783 O ILE A 118 26.516 -11.090 -5.251 1.00 0.00 O ATOM 1784 CB ILE A 118 26.368 -10.971 -2.037 1.00 0.00 C ATOM 1785 CG1 ILE A 118 27.114 -12.299 -2.260 1.00 0.00 C ATOM 1786 CG2 ILE A 118 25.627 -10.973 -0.708 1.00 0.00 C ATOM 1787 CD1 ILE A 118 27.975 -12.714 -1.103 1.00 0.00 C ATOM 0 H ILE A 118 25.088 -12.720 -3.527 1.00 0.00 H new ATOM 0 HA ILE A 118 24.746 -9.883 -2.843 1.00 0.00 H new ATOM 0 HB ILE A 118 27.113 -10.176 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 118 26.385 -13.085 -2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 118 27.737 -12.210 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.332 -11.164 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.152 -10.004 -0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 118 24.865 -11.753 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 118 28.467 -13.658 -1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 118 28.728 -11.948 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 118 27.356 -12.837 -0.214 1.00 0.00 H new ATOM 1799 N ARG A 119 26.095 -8.983 -4.664 1.00 0.00 N ATOM 1800 CA ARG A 119 26.571 -8.441 -5.902 1.00 0.00 C ATOM 1801 C ARG A 119 27.835 -7.664 -5.642 1.00 0.00 C ATOM 1802 O ARG A 119 27.819 -6.655 -4.967 1.00 0.00 O ATOM 1803 CB ARG A 119 25.456 -7.585 -6.495 1.00 0.00 C ATOM 1804 CG ARG A 119 25.581 -7.272 -7.970 1.00 0.00 C ATOM 1805 CD ARG A 119 24.190 -7.061 -8.559 1.00 0.00 C ATOM 1806 NE ARG A 119 23.356 -8.269 -8.345 1.00 0.00 N ATOM 1807 CZ ARG A 119 22.137 -8.508 -8.848 1.00 0.00 C ATOM 1808 NH1 ARG A 119 21.542 -7.630 -9.635 1.00 0.00 N ATOM 1809 NH2 ARG A 119 21.509 -9.629 -8.535 1.00 0.00 N ATOM 0 H ARG A 119 25.795 -8.284 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 119 26.820 -9.219 -6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 119 24.506 -8.093 -6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 119 25.414 -6.645 -5.945 1.00 0.00 H new ATOM 0 HG2 ARG A 119 26.189 -6.379 -8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 119 26.087 -8.088 -8.485 1.00 0.00 H new ATOM 0 HD2 ARG A 119 23.717 -6.196 -8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 119 24.267 -6.847 -9.625 1.00 0.00 H new ATOM 0 HE ARG A 119 23.753 -8.997 -7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 119 22.010 -6.755 -9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 119 20.614 -7.827 -10.010 1.00 0.00 H new ATOM 0 HH21 ARG A 119 21.953 -10.306 -7.914 1.00 0.00 H new ATOM 0 HH22 ARG A 119 20.581 -9.817 -8.915 1.00 0.00 H new ATOM 1822 N LEU A 120 28.929 -8.168 -6.133 1.00 0.00 N ATOM 1823 CA LEU A 120 30.215 -7.584 -5.847 1.00 0.00 C ATOM 1824 C LEU A 120 30.817 -6.955 -7.041 1.00 0.00 C ATOM 1825 O LEU A 120 31.001 -7.615 -8.068 1.00 0.00 O ATOM 1826 CB LEU A 120 31.208 -8.607 -5.267 1.00 0.00 C ATOM 1827 CG LEU A 120 30.924 -9.144 -3.867 1.00 0.00 C ATOM 1828 CD1 LEU A 120 30.653 -8.005 -2.914 1.00 0.00 C ATOM 1829 CD2 LEU A 120 29.793 -10.159 -3.854 1.00 0.00 C ATOM 0 H LEU A 120 28.960 -8.988 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 120 30.024 -6.816 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 120 31.256 -9.455 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 120 32.197 -8.149 -5.258 1.00 0.00 H new ATOM 0 HG LEU A 120 31.815 -9.674 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 120 30.452 -8.403 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 120 31.523 -7.349 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 120 29.788 -7.439 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 120 29.631 -10.510 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 120 28.881 -9.692 -4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 120 30.055 -11.004 -4.491 1.00 0.00 H new