USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 456 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: 3 31 THR OG1 : rot -172:sc= 0.123 USER MOD Set 1.2: 3 33 LYS NZ :NH3+ -139:sc= -0.531 (180deg=-2.38!) USER MOD Single : 3 6 SER OG : rot 180:sc= 0 USER MOD Single : 3 7 HIS :FLIP no HD1:sc= -0.273 F(o=-1.1,f=-0.27) USER MOD Single : 3 15 ASN : amide:sc= -3.98! C(o=-4!,f=-4.5!) USER MOD Single : 3 17 TYR OH : rot 180:sc= 0 USER MOD Single : 3 20 ASN : amide:sc= -0.0953 X(o=-0.095,f=-0.18) USER MOD Single : 3 21 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.5!) USER MOD Single : 3 23 TYR OH : rot 180:sc= 0.0635 USER MOD Single : 3 24 TYR OH : rot 180:sc= -0.59 USER MOD Single : 3 25 CYS SG : rot -10:sc= -2.42! USER MOD Single : 3 26 TYR OH : rot 123:sc= -4.85! USER MOD Single : 3 46 THR OG1 : rot 102:sc= 1.13 USER MOD Single : 3 50 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.014) USER MOD Single : 3 52 ASN :FLIP amide:sc= -4.22! C(o=-5!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 790 N ARG 3 3 41.144 -6.951 -5.747 1.00 0.00 N ATOM 791 CA ARG 3 3 41.920 -6.472 -4.571 1.00 0.00 C ATOM 792 C ARG 3 3 41.099 -6.693 -3.298 1.00 0.00 C ATOM 793 O ARG 3 3 39.897 -6.531 -3.295 1.00 0.00 O ATOM 794 CB ARG 3 3 42.133 -4.983 -4.835 1.00 0.00 C ATOM 795 CG ARG 3 3 42.977 -4.806 -6.099 1.00 0.00 C ATOM 796 CD ARG 3 3 42.055 -4.558 -7.296 1.00 0.00 C ATOM 797 NE ARG 3 3 42.965 -4.194 -8.416 1.00 0.00 N ATOM 798 CZ ARG 3 3 44.208 -4.590 -8.400 1.00 0.00 C ATOM 799 NH1 ARG 3 3 45.167 -3.719 -8.254 1.00 0.00 N ATOM 800 NH2 ARG 3 3 44.492 -5.857 -8.533 1.00 0.00 N ATOM 0 HA ARG 3 3 42.866 -6.996 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG 3 3 41.172 -4.482 -4.953 1.00 0.00 H new ATOM 0 HB3 ARG 3 3 42.631 -4.519 -3.984 1.00 0.00 H new ATOM 0 HG2 ARG 3 3 43.665 -3.969 -5.976 1.00 0.00 H new ATOM 0 HG3 ARG 3 3 43.584 -5.695 -6.272 1.00 0.00 H new ATOM 0 HD2 ARG 3 3 41.471 -5.447 -7.535 1.00 0.00 H new ATOM 0 HD3 ARG 3 3 41.345 -3.757 -7.088 1.00 0.00 H new ATOM 0 HE ARG 3 3 42.617 -3.635 -9.195 1.00 0.00 H new ATOM 0 HH11 ARG 3 3 44.945 -2.729 -8.152 1.00 0.00 H new ATOM 0 HH12 ARG 3 3 46.139 -4.028 -8.241 1.00 0.00 H new ATOM 0 HH21 ARG 3 3 43.742 -6.538 -8.650 1.00 0.00 H new ATOM 0 HH22 ARG 3 3 45.464 -6.166 -8.520 1.00 0.00 H new ATOM 814 N ARG 3 4 41.726 -7.080 -2.221 1.00 0.00 N ATOM 815 CA ARG 3 4 40.948 -7.326 -0.972 1.00 0.00 C ATOM 816 C ARG 3 4 40.674 -6.015 -0.225 1.00 0.00 C ATOM 817 O ARG 3 4 39.544 -5.587 -0.107 1.00 0.00 O ATOM 818 CB ARG 3 4 41.841 -8.240 -0.133 1.00 0.00 C ATOM 819 CG ARG 3 4 41.157 -9.594 0.062 1.00 0.00 C ATOM 820 CD ARG 3 4 41.584 -10.188 1.406 1.00 0.00 C ATOM 821 NE ARG 3 4 40.814 -11.457 1.529 1.00 0.00 N ATOM 822 CZ ARG 3 4 41.126 -12.323 2.453 1.00 0.00 C ATOM 823 NH1 ARG 3 4 40.551 -12.264 3.623 1.00 0.00 N ATOM 824 NH2 ARG 3 4 42.014 -13.247 2.208 1.00 0.00 N ATOM 0 H ARG 3 4 42.732 -7.235 -2.150 1.00 0.00 H new ATOM 0 HA ARG 3 4 39.974 -7.769 -1.181 1.00 0.00 H new ATOM 0 HB2 ARG 3 4 42.804 -8.376 -0.626 1.00 0.00 H new ATOM 0 HB3 ARG 3 4 42.041 -7.780 0.835 1.00 0.00 H new ATOM 0 HG2 ARG 3 4 40.074 -9.475 0.032 1.00 0.00 H new ATOM 0 HG3 ARG 3 4 41.426 -10.270 -0.749 1.00 0.00 H new ATOM 0 HD2 ARG 3 4 42.658 -10.374 1.432 1.00 0.00 H new ATOM 0 HD3 ARG 3 4 41.358 -9.508 2.228 1.00 0.00 H new ATOM 0 HE ARG 3 4 40.042 -11.649 0.890 1.00 0.00 H new ATOM 0 HH11 ARG 3 4 39.858 -11.541 3.815 1.00 0.00 H new ATOM 0 HH12 ARG 3 4 40.795 -12.941 4.346 1.00 0.00 H new ATOM 0 HH21 ARG 3 4 42.464 -13.292 1.294 1.00 0.00 H new ATOM 0 HH22 ARG 3 4 42.258 -13.924 2.931 1.00 0.00 H new ATOM 838 N ARG 3 5 41.692 -5.375 0.285 1.00 0.00 N ATOM 839 CA ARG 3 5 41.463 -4.098 1.022 1.00 0.00 C ATOM 840 C ARG 3 5 42.594 -3.100 0.756 1.00 0.00 C ATOM 841 O ARG 3 5 43.663 -3.460 0.302 1.00 0.00 O ATOM 842 CB ARG 3 5 41.430 -4.495 2.499 1.00 0.00 C ATOM 843 CG ARG 3 5 42.847 -4.814 2.978 1.00 0.00 C ATOM 844 CD ARG 3 5 42.779 -5.820 4.130 1.00 0.00 C ATOM 845 NE ARG 3 5 43.472 -5.153 5.268 1.00 0.00 N ATOM 846 CZ ARG 3 5 44.106 -5.870 6.156 1.00 0.00 C ATOM 847 NH1 ARG 3 5 45.033 -6.708 5.778 1.00 0.00 N ATOM 848 NH2 ARG 3 5 43.815 -5.748 7.423 1.00 0.00 N ATOM 0 H ARG 3 5 42.664 -5.677 0.224 1.00 0.00 H new ATOM 0 HA ARG 3 5 40.542 -3.607 0.707 1.00 0.00 H new ATOM 0 HB2 ARG 3 5 41.008 -3.685 3.094 1.00 0.00 H new ATOM 0 HB3 ARG 3 5 40.785 -5.362 2.638 1.00 0.00 H new ATOM 0 HG2 ARG 3 5 43.437 -5.223 2.158 1.00 0.00 H new ATOM 0 HG3 ARG 3 5 43.346 -3.902 3.306 1.00 0.00 H new ATOM 0 HD2 ARG 3 5 41.746 -6.060 4.383 1.00 0.00 H new ATOM 0 HD3 ARG 3 5 43.269 -6.757 3.865 1.00 0.00 H new ATOM 0 HE ARG 3 5 43.451 -4.137 5.353 1.00 0.00 H new ATOM 0 HH11 ARG 3 5 45.262 -6.803 4.789 1.00 0.00 H new ATOM 0 HH12 ARG 3 5 45.528 -7.268 6.472 1.00 0.00 H new ATOM 0 HH21 ARG 3 5 43.092 -5.092 7.719 1.00 0.00 H new ATOM 0 HH22 ARG 3 5 44.311 -6.308 8.116 1.00 0.00 H new ATOM 862 N SER 3 6 42.370 -1.852 1.058 1.00 0.00 N ATOM 863 CA SER 3 6 43.429 -0.824 0.851 1.00 0.00 C ATOM 864 C SER 3 6 43.449 0.124 2.052 1.00 0.00 C ATOM 865 O SER 3 6 42.745 -0.080 3.022 1.00 0.00 O ATOM 866 CB SER 3 6 43.032 -0.078 -0.422 1.00 0.00 C ATOM 867 OG SER 3 6 44.203 0.406 -1.069 1.00 0.00 O ATOM 0 H SER 3 6 41.494 -1.497 1.442 1.00 0.00 H new ATOM 0 HA SER 3 6 44.424 -1.259 0.757 1.00 0.00 H new ATOM 0 HB2 SER 3 6 42.482 -0.742 -1.089 1.00 0.00 H new ATOM 0 HB3 SER 3 6 42.368 0.751 -0.179 1.00 0.00 H new ATOM 0 HG SER 3 6 43.951 0.884 -1.887 1.00 0.00 H new ATOM 873 N HIS 3 7 44.244 1.156 2.003 1.00 0.00 N ATOM 874 CA HIS 3 7 44.292 2.105 3.154 1.00 0.00 C ATOM 875 C HIS 3 7 43.125 3.091 3.076 1.00 0.00 C ATOM 876 O HIS 3 7 42.428 3.319 4.044 1.00 0.00 O ATOM 877 CB HIS 3 7 45.627 2.839 3.019 1.00 0.00 C ATOM 878 CG HIS 3 7 45.832 3.719 4.223 1.00 0.00 C ATOM 879 ND1 HIS 3 7 45.085 4.747 4.742 1.00 0.00 N flip ATOM 880 CD2 HIS 3 7 46.927 3.584 5.064 1.00 0.00 C flip ATOM 881 CE1 HIS 3 7 45.701 5.243 5.886 1.00 0.00 C flip ATOM 882 NE2 HIS 3 7 46.806 4.509 6.035 1.00 0.00 N flip ATOM 0 H HIS 3 7 44.859 1.384 1.222 1.00 0.00 H new ATOM 0 HA HIS 3 7 44.210 1.591 4.112 1.00 0.00 H new ATOM 0 HB2 HIS 3 7 46.443 2.122 2.935 1.00 0.00 H new ATOM 0 HB3 HIS 3 7 45.635 3.439 2.109 1.00 0.00 H new ATOM 0 HD2 HIS 3 7 47.729 2.868 4.959 1.00 0.00 H new ATOM 0 HE1 HIS 3 7 45.359 6.049 6.518 1.00 0.00 H new ATOM 0 HE2 HIS 3 7 47.477 4.634 6.793 1.00 0.00 H new ATOM 890 N GLU 3 8 42.899 3.677 1.934 1.00 0.00 N ATOM 891 CA GLU 3 8 41.767 4.643 1.816 1.00 0.00 C ATOM 892 C GLU 3 8 40.446 3.882 1.826 1.00 0.00 C ATOM 893 O GLU 3 8 39.467 4.320 2.400 1.00 0.00 O ATOM 894 CB GLU 3 8 41.968 5.352 0.478 1.00 0.00 C ATOM 895 CG GLU 3 8 43.437 5.738 0.322 1.00 0.00 C ATOM 896 CD GLU 3 8 43.539 7.204 -0.104 1.00 0.00 C ATOM 897 OE1 GLU 3 8 43.916 7.447 -1.238 1.00 0.00 O ATOM 898 OE2 GLU 3 8 43.240 8.060 0.714 1.00 0.00 O ATOM 0 H GLU 3 8 43.442 3.532 1.083 1.00 0.00 H new ATOM 0 HA GLU 3 8 41.743 5.355 2.641 1.00 0.00 H new ATOM 0 HB2 GLU 3 8 41.663 4.700 -0.341 1.00 0.00 H new ATOM 0 HB3 GLU 3 8 41.340 6.241 0.428 1.00 0.00 H new ATOM 0 HG2 GLU 3 8 43.966 5.584 1.263 1.00 0.00 H new ATOM 0 HG3 GLU 3 8 43.915 5.099 -0.420 1.00 0.00 H new ATOM 905 N ARG 3 9 40.419 2.738 1.208 1.00 0.00 N ATOM 906 CA ARG 3 9 39.173 1.932 1.188 1.00 0.00 C ATOM 907 C ARG 3 9 38.856 1.425 2.602 1.00 0.00 C ATOM 908 O ARG 3 9 37.786 0.915 2.863 1.00 0.00 O ATOM 909 CB ARG 3 9 39.485 0.778 0.233 1.00 0.00 C ATOM 910 CG ARG 3 9 38.634 -0.438 0.586 1.00 0.00 C ATOM 911 CD ARG 3 9 37.150 -0.077 0.467 1.00 0.00 C ATOM 912 NE ARG 3 9 36.443 -1.100 1.286 1.00 0.00 N ATOM 913 CZ ARG 3 9 35.753 -0.736 2.332 1.00 0.00 C ATOM 914 NH1 ARG 3 9 34.834 0.185 2.221 1.00 0.00 N ATOM 915 NH2 ARG 3 9 35.982 -1.294 3.490 1.00 0.00 N ATOM 0 H ARG 3 9 41.210 2.325 0.714 1.00 0.00 H new ATOM 0 HA ARG 3 9 38.299 2.497 0.864 1.00 0.00 H new ATOM 0 HB2 ARG 3 9 39.289 1.083 -0.795 1.00 0.00 H new ATOM 0 HB3 ARG 3 9 40.543 0.521 0.293 1.00 0.00 H new ATOM 0 HG2 ARG 3 9 38.872 -1.267 -0.080 1.00 0.00 H new ATOM 0 HG3 ARG 3 9 38.858 -0.770 1.600 1.00 0.00 H new ATOM 0 HD2 ARG 3 9 36.957 0.929 0.838 1.00 0.00 H new ATOM 0 HD3 ARG 3 9 36.819 -0.103 -0.571 1.00 0.00 H new ATOM 0 HE ARG 3 9 36.498 -2.086 1.029 1.00 0.00 H new ATOM 0 HH11 ARG 3 9 34.655 0.620 1.316 1.00 0.00 H new ATOM 0 HH12 ARG 3 9 34.295 0.469 3.039 1.00 0.00 H new ATOM 0 HH21 ARG 3 9 36.700 -2.014 3.576 1.00 0.00 H new ATOM 0 HH22 ARG 3 9 35.443 -1.010 4.308 1.00 0.00 H new ATOM 929 N ARG 3 10 39.775 1.568 3.524 1.00 0.00 N ATOM 930 CA ARG 3 10 39.507 1.099 4.913 1.00 0.00 C ATOM 931 C ARG 3 10 38.634 2.124 5.636 1.00 0.00 C ATOM 932 O ARG 3 10 37.840 1.790 6.492 1.00 0.00 O ATOM 933 CB ARG 3 10 40.893 0.986 5.560 1.00 0.00 C ATOM 934 CG ARG 3 10 40.872 1.552 6.986 1.00 0.00 C ATOM 935 CD ARG 3 10 39.903 0.742 7.852 1.00 0.00 C ATOM 936 NE ARG 3 10 40.765 0.081 8.870 1.00 0.00 N ATOM 937 CZ ARG 3 10 40.225 -0.559 9.871 1.00 0.00 C ATOM 938 NH1 ARG 3 10 40.387 -1.850 9.984 1.00 0.00 N ATOM 939 NH2 ARG 3 10 39.520 0.089 10.756 1.00 0.00 N ATOM 0 H ARG 3 10 40.693 1.987 3.374 1.00 0.00 H new ATOM 0 HA ARG 3 10 38.973 0.149 4.952 1.00 0.00 H new ATOM 0 HB2 ARG 3 10 41.206 -0.058 5.582 1.00 0.00 H new ATOM 0 HB3 ARG 3 10 41.625 1.526 4.960 1.00 0.00 H new ATOM 0 HG2 ARG 3 10 41.873 1.518 7.415 1.00 0.00 H new ATOM 0 HG3 ARG 3 10 40.569 2.599 6.967 1.00 0.00 H new ATOM 0 HD2 ARG 3 10 39.159 1.386 8.321 1.00 0.00 H new ATOM 0 HD3 ARG 3 10 39.360 0.008 7.257 1.00 0.00 H new ATOM 0 HE ARG 3 10 41.780 0.128 8.785 1.00 0.00 H new ATOM 0 HH11 ARG 3 10 40.935 -2.358 9.290 1.00 0.00 H new ATOM 0 HH12 ARG 3 10 39.965 -2.350 10.766 1.00 0.00 H new ATOM 0 HH21 ARG 3 10 39.390 1.097 10.666 1.00 0.00 H new ATOM 0 HH22 ARG 3 10 39.098 -0.412 11.538 1.00 0.00 H new ATOM 953 N ASP 3 11 38.781 3.373 5.294 1.00 0.00 N ATOM 954 CA ASP 3 11 37.965 4.428 5.959 1.00 0.00 C ATOM 955 C ASP 3 11 36.751 4.804 5.097 1.00 0.00 C ATOM 956 O ASP 3 11 35.929 5.606 5.494 1.00 0.00 O ATOM 957 CB ASP 3 11 38.909 5.623 6.103 1.00 0.00 C ATOM 958 CG ASP 3 11 39.402 6.052 4.721 1.00 0.00 C ATOM 959 OD1 ASP 3 11 40.588 5.920 4.468 1.00 0.00 O ATOM 960 OD2 ASP 3 11 38.584 6.505 3.936 1.00 0.00 O ATOM 0 H ASP 3 11 39.430 3.710 4.583 1.00 0.00 H new ATOM 0 HA ASP 3 11 37.572 4.094 6.919 1.00 0.00 H new ATOM 0 HB2 ASP 3 11 38.394 6.451 6.590 1.00 0.00 H new ATOM 0 HB3 ASP 3 11 39.755 5.357 6.737 1.00 0.00 H new ATOM 965 N LEU 3 12 36.625 4.239 3.923 1.00 0.00 N ATOM 966 CA LEU 3 12 35.457 4.584 3.059 1.00 0.00 C ATOM 967 C LEU 3 12 34.288 3.634 3.324 1.00 0.00 C ATOM 968 O LEU 3 12 34.478 2.505 3.727 1.00 0.00 O ATOM 969 CB LEU 3 12 35.938 4.407 1.620 1.00 0.00 C ATOM 970 CG LEU 3 12 36.863 5.559 1.232 1.00 0.00 C ATOM 971 CD1 LEU 3 12 37.699 5.154 0.017 1.00 0.00 C ATOM 972 CD2 LEU 3 12 36.025 6.792 0.888 1.00 0.00 C ATOM 0 H LEU 3 12 37.275 3.559 3.528 1.00 0.00 H new ATOM 0 HA LEU 3 12 35.109 5.597 3.258 1.00 0.00 H new ATOM 0 HB2 LEU 3 12 36.464 3.458 1.518 1.00 0.00 H new ATOM 0 HB3 LEU 3 12 35.084 4.373 0.944 1.00 0.00 H new ATOM 0 HG LEU 3 12 37.525 5.791 2.067 1.00 0.00 H new ATOM 0 HD11 LEU 3 12 38.359 5.976 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU 3 12 38.296 4.276 0.263 1.00 0.00 H new ATOM 0 HD13 LEU 3 12 37.038 4.922 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU 3 12 36.685 7.614 0.611 1.00 0.00 H new ATOM 0 HD22 LEU 3 12 35.363 6.561 0.053 1.00 0.00 H new ATOM 0 HD23 LEU 3 12 35.429 7.080 1.754 1.00 0.00 H new ATOM 984 N PRO 3 13 33.113 4.133 3.064 1.00 0.00 N ATOM 985 CA PRO 3 13 31.878 3.332 3.244 1.00 0.00 C ATOM 986 C PRO 3 13 31.747 2.355 2.079 1.00 0.00 C ATOM 987 O PRO 3 13 32.530 2.399 1.152 1.00 0.00 O ATOM 988 CB PRO 3 13 30.768 4.374 3.166 1.00 0.00 C ATOM 989 CG PRO 3 13 31.344 5.478 2.342 1.00 0.00 C ATOM 990 CD PRO 3 13 32.827 5.485 2.582 1.00 0.00 C ATOM 0 HA PRO 3 13 31.859 2.755 4.169 1.00 0.00 H new ATOM 0 HB2 PRO 3 13 29.870 3.963 2.705 1.00 0.00 H new ATOM 0 HB3 PRO 3 13 30.485 4.726 4.158 1.00 0.00 H new ATOM 0 HG2 PRO 3 13 31.126 5.323 1.285 1.00 0.00 H new ATOM 0 HG3 PRO 3 13 30.905 6.436 2.621 1.00 0.00 H new ATOM 0 HD2 PRO 3 13 33.378 5.708 1.669 1.00 0.00 H new ATOM 0 HD3 PRO 3 13 33.109 6.239 3.317 1.00 0.00 H new ATOM 998 N PRO 3 14 30.748 1.523 2.140 1.00 0.00 N ATOM 999 CA PRO 3 14 30.516 0.562 1.041 1.00 0.00 C ATOM 1000 C PRO 3 14 30.046 1.318 -0.204 1.00 0.00 C ATOM 1001 O PRO 3 14 29.321 2.287 -0.112 1.00 0.00 O ATOM 1002 CB PRO 3 14 29.423 -0.354 1.589 1.00 0.00 C ATOM 1003 CG PRO 3 14 28.721 0.466 2.623 1.00 0.00 C ATOM 1004 CD PRO 3 14 29.755 1.389 3.213 1.00 0.00 C ATOM 0 HA PRO 3 14 31.404 0.003 0.745 1.00 0.00 H new ATOM 0 HB2 PRO 3 14 28.738 -0.668 0.801 1.00 0.00 H new ATOM 0 HB3 PRO 3 14 29.847 -1.260 2.023 1.00 0.00 H new ATOM 0 HG2 PRO 3 14 27.903 1.033 2.178 1.00 0.00 H new ATOM 0 HG3 PRO 3 14 28.285 -0.171 3.393 1.00 0.00 H new ATOM 0 HD2 PRO 3 14 29.324 2.353 3.484 1.00 0.00 H new ATOM 0 HD3 PRO 3 14 30.196 0.971 4.118 1.00 0.00 H new ATOM 1012 N ASN 3 15 30.471 0.884 -1.361 1.00 0.00 N ATOM 1013 CA ASN 3 15 30.077 1.562 -2.638 1.00 0.00 C ATOM 1014 C ASN 3 15 30.769 2.926 -2.767 1.00 0.00 C ATOM 1015 O ASN 3 15 30.281 3.817 -3.432 1.00 0.00 O ATOM 1016 CB ASN 3 15 28.553 1.723 -2.584 1.00 0.00 C ATOM 1017 CG ASN 3 15 27.921 0.461 -1.992 1.00 0.00 C ATOM 1018 OD1 ASN 3 15 28.523 -0.595 -1.995 1.00 0.00 O ATOM 1019 ND2 ASN 3 15 26.723 0.526 -1.480 1.00 0.00 N ATOM 0 H ASN 3 15 31.083 0.077 -1.480 1.00 0.00 H new ATOM 0 HA ASN 3 15 30.380 0.977 -3.506 1.00 0.00 H new ATOM 0 HB2 ASN 3 15 28.291 2.591 -1.979 1.00 0.00 H new ATOM 0 HB3 ASN 3 15 28.161 1.902 -3.585 1.00 0.00 H new ATOM 0 HD21 ASN 3 15 26.292 -0.309 -1.083 1.00 0.00 H new ATOM 0 HD22 ASN 3 15 26.217 1.412 -1.477 1.00 0.00 H new ATOM 1026 N LEU 3 16 31.913 3.083 -2.157 1.00 0.00 N ATOM 1027 CA LEU 3 16 32.653 4.378 -2.267 1.00 0.00 C ATOM 1028 C LEU 3 16 34.160 4.110 -2.242 1.00 0.00 C ATOM 1029 O LEU 3 16 34.694 3.594 -1.280 1.00 0.00 O ATOM 1030 CB LEU 3 16 32.239 5.205 -1.047 1.00 0.00 C ATOM 1031 CG LEU 3 16 32.376 6.701 -1.369 1.00 0.00 C ATOM 1032 CD1 LEU 3 16 33.768 6.987 -1.947 1.00 0.00 C ATOM 1033 CD2 LEU 3 16 31.310 7.102 -2.392 1.00 0.00 C ATOM 0 H LEU 3 16 32.369 2.371 -1.586 1.00 0.00 H new ATOM 0 HA LEU 3 16 32.424 4.902 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU 3 16 31.210 4.975 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU 3 16 32.864 4.948 -0.192 1.00 0.00 H new ATOM 0 HG LEU 3 16 32.242 7.277 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU 3 16 33.857 8.050 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU 3 16 34.529 6.706 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU 3 16 33.908 6.409 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU 3 16 31.406 8.163 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU 3 16 31.444 6.520 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU 3 16 30.320 6.908 -1.980 1.00 0.00 H new ATOM 1045 N TYR 3 17 34.849 4.451 -3.295 1.00 0.00 N ATOM 1046 CA TYR 3 17 36.320 4.209 -3.335 1.00 0.00 C ATOM 1047 C TYR 3 17 37.045 5.455 -3.846 1.00 0.00 C ATOM 1048 O TYR 3 17 36.461 6.306 -4.486 1.00 0.00 O ATOM 1049 CB TYR 3 17 36.501 3.039 -4.303 1.00 0.00 C ATOM 1050 CG TYR 3 17 35.650 1.877 -3.849 1.00 0.00 C ATOM 1051 CD1 TYR 3 17 35.705 1.448 -2.517 1.00 0.00 C ATOM 1052 CD2 TYR 3 17 34.804 1.229 -4.758 1.00 0.00 C ATOM 1053 CE1 TYR 3 17 34.916 0.373 -2.094 1.00 0.00 C ATOM 1054 CE2 TYR 3 17 34.016 0.153 -4.334 1.00 0.00 C ATOM 1055 CZ TYR 3 17 34.070 -0.275 -3.002 1.00 0.00 C ATOM 1056 OH TYR 3 17 33.293 -1.335 -2.585 1.00 0.00 O ATOM 0 H TYR 3 17 34.458 4.887 -4.130 1.00 0.00 H new ATOM 0 HA TYR 3 17 36.732 3.987 -2.351 1.00 0.00 H new ATOM 0 HB2 TYR 3 17 36.217 3.340 -5.312 1.00 0.00 H new ATOM 0 HB3 TYR 3 17 37.549 2.743 -4.342 1.00 0.00 H new ATOM 0 HD1 TYR 3 17 36.357 1.947 -1.816 1.00 0.00 H new ATOM 0 HD2 TYR 3 17 34.760 1.559 -5.785 1.00 0.00 H new ATOM 0 HE1 TYR 3 17 34.960 0.043 -1.067 1.00 0.00 H new ATOM 0 HE2 TYR 3 17 33.365 -0.348 -5.035 1.00 0.00 H new ATOM 0 HH TYR 3 17 32.764 -1.669 -3.339 1.00 0.00 H new ATOM 1066 N ILE 3 18 38.312 5.575 -3.557 1.00 0.00 N ATOM 1067 CA ILE 3 18 39.065 6.776 -4.018 1.00 0.00 C ATOM 1068 C ILE 3 18 39.990 6.423 -5.188 1.00 0.00 C ATOM 1069 O ILE 3 18 40.582 5.362 -5.234 1.00 0.00 O ATOM 1070 CB ILE 3 18 39.879 7.215 -2.796 1.00 0.00 C ATOM 1071 CG1 ILE 3 18 39.885 8.744 -2.710 1.00 0.00 C ATOM 1072 CG2 ILE 3 18 41.318 6.697 -2.908 1.00 0.00 C ATOM 1073 CD1 ILE 3 18 40.818 9.320 -3.776 1.00 0.00 C ATOM 0 H ILE 3 18 38.856 4.897 -3.024 1.00 0.00 H new ATOM 0 HA ILE 3 18 38.404 7.564 -4.379 1.00 0.00 H new ATOM 0 HB ILE 3 18 39.424 6.801 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE 3 18 38.875 9.129 -2.851 1.00 0.00 H new ATOM 0 HG13 ILE 3 18 40.211 9.060 -1.719 1.00 0.00 H new ATOM 0 HG21 ILE 3 18 41.888 7.014 -2.035 1.00 0.00 H new ATOM 0 HG22 ILE 3 18 41.310 5.608 -2.960 1.00 0.00 H new ATOM 0 HG23 ILE 3 18 41.781 7.100 -3.809 1.00 0.00 H new ATOM 0 HD11 ILE 3 18 40.818 10.408 -3.710 1.00 0.00 H new ATOM 0 HD12 ILE 3 18 41.829 8.947 -3.615 1.00 0.00 H new ATOM 0 HD13 ILE 3 18 40.473 9.017 -4.764 1.00 0.00 H new ATOM 1085 N ARG 3 19 40.126 7.323 -6.127 1.00 0.00 N ATOM 1086 CA ARG 3 19 41.016 7.083 -7.292 1.00 0.00 C ATOM 1087 C ARG 3 19 42.399 7.618 -6.977 1.00 0.00 C ATOM 1088 O ARG 3 19 42.693 7.984 -5.856 1.00 0.00 O ATOM 1089 CB ARG 3 19 40.382 7.841 -8.459 1.00 0.00 C ATOM 1090 CG ARG 3 19 39.421 6.910 -9.203 1.00 0.00 C ATOM 1091 CD ARG 3 19 38.091 7.629 -9.449 1.00 0.00 C ATOM 1092 NE ARG 3 19 37.065 6.546 -9.469 1.00 0.00 N ATOM 1093 CZ ARG 3 19 36.831 5.847 -8.392 1.00 0.00 C ATOM 1094 NH1 ARG 3 19 36.902 6.412 -7.216 1.00 0.00 N ATOM 1095 NH2 ARG 3 19 36.519 4.585 -8.492 1.00 0.00 N ATOM 0 H ARG 3 19 39.650 8.225 -6.132 1.00 0.00 H new ATOM 0 HA ARG 3 19 41.122 6.025 -7.532 1.00 0.00 H new ATOM 0 HB2 ARG 3 19 39.847 8.717 -8.091 1.00 0.00 H new ATOM 0 HB3 ARG 3 19 41.156 8.201 -9.137 1.00 0.00 H new ATOM 0 HG2 ARG 3 19 39.860 6.602 -10.152 1.00 0.00 H new ATOM 0 HG3 ARG 3 19 39.253 6.004 -8.621 1.00 0.00 H new ATOM 0 HD2 ARG 3 19 37.883 8.355 -8.663 1.00 0.00 H new ATOM 0 HD3 ARG 3 19 38.106 8.176 -10.392 1.00 0.00 H new ATOM 0 HE ARG 3 19 36.546 6.352 -10.325 1.00 0.00 H new ATOM 0 HH11 ARG 3 19 37.141 7.401 -7.139 1.00 0.00 H new ATOM 0 HH12 ARG 3 19 36.719 5.864 -6.375 1.00 0.00 H new ATOM 0 HH21 ARG 3 19 36.458 4.146 -9.411 1.00 0.00 H new ATOM 0 HH22 ARG 3 19 36.336 4.037 -7.652 1.00 0.00 H new ATOM 1109 N ASN 3 20 43.259 7.660 -7.941 1.00 0.00 N ATOM 1110 CA ASN 3 20 44.622 8.164 -7.667 1.00 0.00 C ATOM 1111 C ASN 3 20 44.633 9.696 -7.672 1.00 0.00 C ATOM 1112 O ASN 3 20 45.539 10.320 -7.156 1.00 0.00 O ATOM 1113 CB ASN 3 20 45.475 7.612 -8.808 1.00 0.00 C ATOM 1114 CG ASN 3 20 45.108 6.150 -9.072 1.00 0.00 C ATOM 1115 OD1 ASN 3 20 45.014 5.357 -8.156 1.00 0.00 O ATOM 1116 ND2 ASN 3 20 44.892 5.755 -10.301 1.00 0.00 N ATOM 0 H ASN 3 20 43.081 7.369 -8.902 1.00 0.00 H new ATOM 0 HA ASN 3 20 44.994 7.853 -6.691 1.00 0.00 H new ATOM 0 HB2 ASN 3 20 45.319 8.204 -9.710 1.00 0.00 H new ATOM 0 HB3 ASN 3 20 46.532 7.691 -8.554 1.00 0.00 H new ATOM 0 HD21 ASN 3 20 44.645 4.783 -10.488 1.00 0.00 H new ATOM 0 HD22 ASN 3 20 44.970 6.419 -11.071 1.00 0.00 H new ATOM 1123 N ASN 3 21 43.630 10.311 -8.243 1.00 0.00 N ATOM 1124 CA ASN 3 21 43.585 11.803 -8.269 1.00 0.00 C ATOM 1125 C ASN 3 21 42.999 12.366 -6.967 1.00 0.00 C ATOM 1126 O ASN 3 21 42.624 13.519 -6.899 1.00 0.00 O ATOM 1127 CB ASN 3 21 42.685 12.152 -9.455 1.00 0.00 C ATOM 1128 CG ASN 3 21 43.190 11.434 -10.708 1.00 0.00 C ATOM 1129 OD1 ASN 3 21 43.003 10.243 -10.855 1.00 0.00 O ATOM 1130 ND2 ASN 3 21 43.826 12.112 -11.625 1.00 0.00 N ATOM 0 H ASN 3 21 42.841 9.845 -8.692 1.00 0.00 H new ATOM 0 HA ASN 3 21 44.582 12.232 -8.365 1.00 0.00 H new ATOM 0 HB2 ASN 3 21 41.657 11.858 -9.244 1.00 0.00 H new ATOM 0 HB3 ASN 3 21 42.681 13.230 -9.617 1.00 0.00 H new ATOM 0 HD21 ASN 3 21 44.165 11.641 -12.464 1.00 0.00 H new ATOM 0 HD22 ASN 3 21 43.983 13.112 -11.502 1.00 0.00 H new ATOM 1137 N GLY 3 22 42.911 11.571 -5.935 1.00 0.00 N ATOM 1138 CA GLY 3 22 42.341 12.081 -4.656 1.00 0.00 C ATOM 1139 C GLY 3 22 40.853 12.386 -4.846 1.00 0.00 C ATOM 1140 O GLY 3 22 40.264 13.143 -4.100 1.00 0.00 O ATOM 0 H GLY 3 22 43.208 10.595 -5.922 1.00 0.00 H new ATOM 0 HA2 GLY 3 22 42.474 11.342 -3.866 1.00 0.00 H new ATOM 0 HA3 GLY 3 22 42.870 12.981 -4.343 1.00 0.00 H new ATOM 1144 N TYR 3 23 40.239 11.796 -5.838 1.00 0.00 N ATOM 1145 CA TYR 3 23 38.787 12.043 -6.079 1.00 0.00 C ATOM 1146 C TYR 3 23 37.959 10.848 -5.590 1.00 0.00 C ATOM 1147 O TYR 3 23 38.168 9.728 -6.010 1.00 0.00 O ATOM 1148 CB TYR 3 23 38.668 12.184 -7.598 1.00 0.00 C ATOM 1149 CG TYR 3 23 37.745 13.328 -7.943 1.00 0.00 C ATOM 1150 CD1 TYR 3 23 38.253 14.457 -8.595 1.00 0.00 C ATOM 1151 CD2 TYR 3 23 36.383 13.256 -7.626 1.00 0.00 C ATOM 1152 CE1 TYR 3 23 37.400 15.514 -8.933 1.00 0.00 C ATOM 1153 CE2 TYR 3 23 35.529 14.314 -7.962 1.00 0.00 C ATOM 1154 CZ TYR 3 23 36.037 15.442 -8.618 1.00 0.00 C ATOM 1155 OH TYR 3 23 35.196 16.484 -8.950 1.00 0.00 O ATOM 0 H TYR 3 23 40.682 11.152 -6.493 1.00 0.00 H new ATOM 0 HA TYR 3 23 38.420 12.923 -5.550 1.00 0.00 H new ATOM 0 HB2 TYR 3 23 39.652 12.357 -8.033 1.00 0.00 H new ATOM 0 HB3 TYR 3 23 38.288 11.257 -8.028 1.00 0.00 H new ATOM 0 HD1 TYR 3 23 39.304 14.513 -8.838 1.00 0.00 H new ATOM 0 HD2 TYR 3 23 35.991 12.385 -7.122 1.00 0.00 H new ATOM 0 HE1 TYR 3 23 37.793 16.385 -9.437 1.00 0.00 H new ATOM 0 HE2 TYR 3 23 34.479 14.260 -7.715 1.00 0.00 H new ATOM 0 HH TYR 3 23 34.284 16.273 -8.661 1.00 0.00 H new ATOM 1165 N TYR 3 24 37.017 11.073 -4.716 1.00 0.00 N ATOM 1166 CA TYR 3 24 36.179 9.949 -4.221 1.00 0.00 C ATOM 1167 C TYR 3 24 34.988 9.753 -5.159 1.00 0.00 C ATOM 1168 O TYR 3 24 34.440 10.700 -5.687 1.00 0.00 O ATOM 1169 CB TYR 3 24 35.709 10.397 -2.841 1.00 0.00 C ATOM 1170 CG TYR 3 24 36.899 10.532 -1.923 1.00 0.00 C ATOM 1171 CD1 TYR 3 24 37.264 9.469 -1.090 1.00 0.00 C ATOM 1172 CD2 TYR 3 24 37.638 11.721 -1.906 1.00 0.00 C ATOM 1173 CE1 TYR 3 24 38.369 9.595 -0.239 1.00 0.00 C ATOM 1174 CE2 TYR 3 24 38.742 11.847 -1.054 1.00 0.00 C ATOM 1175 CZ TYR 3 24 39.108 10.783 -0.221 1.00 0.00 C ATOM 1176 OH TYR 3 24 40.197 10.907 0.617 1.00 0.00 O ATOM 0 H TYR 3 24 36.793 11.988 -4.324 1.00 0.00 H new ATOM 0 HA TYR 3 24 36.717 9.002 -4.178 1.00 0.00 H new ATOM 0 HB2 TYR 3 24 35.184 11.349 -2.915 1.00 0.00 H new ATOM 0 HB3 TYR 3 24 35.002 9.674 -2.434 1.00 0.00 H new ATOM 0 HD1 TYR 3 24 36.694 8.552 -1.103 1.00 0.00 H new ATOM 0 HD2 TYR 3 24 37.357 12.541 -2.550 1.00 0.00 H new ATOM 0 HE1 TYR 3 24 38.651 8.774 0.404 1.00 0.00 H new ATOM 0 HE2 TYR 3 24 39.311 12.765 -1.039 1.00 0.00 H new ATOM 0 HH TYR 3 24 40.597 11.794 0.504 1.00 0.00 H new ATOM 1186 N CYS 3 25 34.583 8.535 -5.382 1.00 0.00 N ATOM 1187 CA CYS 3 25 33.431 8.292 -6.298 1.00 0.00 C ATOM 1188 C CYS 3 25 32.579 7.137 -5.775 1.00 0.00 C ATOM 1189 O CYS 3 25 33.058 6.267 -5.074 1.00 0.00 O ATOM 1190 CB CYS 3 25 34.056 7.909 -7.645 1.00 0.00 C ATOM 1191 SG CYS 3 25 35.255 9.165 -8.161 1.00 0.00 S ATOM 0 H CYS 3 25 34.997 7.698 -4.972 1.00 0.00 H new ATOM 0 HA CYS 3 25 32.786 9.167 -6.379 1.00 0.00 H new ATOM 0 HB2 CYS 3 25 34.547 6.939 -7.563 1.00 0.00 H new ATOM 0 HB3 CYS 3 25 33.276 7.809 -8.400 1.00 0.00 H new ATOM 0 HG CYS 3 25 35.154 10.205 -7.388 1.00 0.00 H new ATOM 1197 N TYR 3 26 31.322 7.112 -6.120 1.00 0.00 N ATOM 1198 CA TYR 3 26 30.447 6.000 -5.650 1.00 0.00 C ATOM 1199 C TYR 3 26 30.330 4.947 -6.752 1.00 0.00 C ATOM 1200 O TYR 3 26 29.967 5.247 -7.872 1.00 0.00 O ATOM 1201 CB TYR 3 26 29.087 6.643 -5.367 1.00 0.00 C ATOM 1202 CG TYR 3 26 28.068 5.561 -5.095 1.00 0.00 C ATOM 1203 CD1 TYR 3 26 27.785 5.182 -3.778 1.00 0.00 C ATOM 1204 CD2 TYR 3 26 27.407 4.939 -6.161 1.00 0.00 C ATOM 1205 CE1 TYR 3 26 26.840 4.179 -3.525 1.00 0.00 C ATOM 1206 CE2 TYR 3 26 26.462 3.936 -5.909 1.00 0.00 C ATOM 1207 CZ TYR 3 26 26.179 3.557 -4.591 1.00 0.00 C ATOM 1208 OH TYR 3 26 25.249 2.567 -4.343 1.00 0.00 O ATOM 0 H TYR 3 26 30.863 7.810 -6.705 1.00 0.00 H new ATOM 0 HA TYR 3 26 30.841 5.503 -4.763 1.00 0.00 H new ATOM 0 HB2 TYR 3 26 29.160 7.313 -4.510 1.00 0.00 H new ATOM 0 HB3 TYR 3 26 28.774 7.247 -6.218 1.00 0.00 H new ATOM 0 HD1 TYR 3 26 28.295 5.663 -2.956 1.00 0.00 H new ATOM 0 HD2 TYR 3 26 27.626 5.232 -7.177 1.00 0.00 H new ATOM 0 HE1 TYR 3 26 26.622 3.886 -2.509 1.00 0.00 H new ATOM 0 HE2 TYR 3 26 25.952 3.455 -6.731 1.00 0.00 H new ATOM 0 HH TYR 3 26 24.390 2.818 -4.743 1.00 0.00 H new ATOM 1218 N ARG 3 27 30.646 3.720 -6.450 1.00 0.00 N ATOM 1219 CA ARG 3 27 30.566 2.655 -7.490 1.00 0.00 C ATOM 1220 C ARG 3 27 29.154 2.065 -7.546 1.00 0.00 C ATOM 1221 O ARG 3 27 28.623 1.600 -6.557 1.00 0.00 O ATOM 1222 CB ARG 3 27 31.572 1.595 -7.046 1.00 0.00 C ATOM 1223 CG ARG 3 27 31.325 0.303 -7.825 1.00 0.00 C ATOM 1224 CD ARG 3 27 30.335 -0.575 -7.057 1.00 0.00 C ATOM 1225 NE ARG 3 27 30.881 -1.957 -7.165 1.00 0.00 N ATOM 1226 CZ ARG 3 27 30.727 -2.632 -8.271 1.00 0.00 C ATOM 1227 NH1 ARG 3 27 31.610 -2.531 -9.227 1.00 0.00 N ATOM 1228 NH2 ARG 3 27 29.691 -3.411 -8.420 1.00 0.00 N ATOM 0 H ARG 3 27 30.956 3.407 -5.530 1.00 0.00 H new ATOM 0 HA ARG 3 27 30.786 3.037 -8.487 1.00 0.00 H new ATOM 0 HB2 ARG 3 27 32.589 1.948 -7.218 1.00 0.00 H new ATOM 0 HB3 ARG 3 27 31.475 1.412 -5.976 1.00 0.00 H new ATOM 0 HG2 ARG 3 27 30.932 0.533 -8.815 1.00 0.00 H new ATOM 0 HG3 ARG 3 27 32.264 -0.231 -7.971 1.00 0.00 H new ATOM 0 HD2 ARG 3 27 30.255 -0.262 -6.016 1.00 0.00 H new ATOM 0 HD3 ARG 3 27 29.335 -0.511 -7.486 1.00 0.00 H new ATOM 0 HE ARG 3 27 31.374 -2.375 -6.376 1.00 0.00 H new ATOM 0 HH11 ARG 3 27 32.421 -1.924 -9.110 1.00 0.00 H new ATOM 0 HH12 ARG 3 27 31.489 -3.059 -10.091 1.00 0.00 H new ATOM 0 HH21 ARG 3 27 29.002 -3.492 -7.672 1.00 0.00 H new ATOM 0 HH22 ARG 3 27 29.570 -3.939 -9.284 1.00 0.00 H new ATOM 1242 N ASP 3 28 28.545 2.078 -8.700 1.00 0.00 N ATOM 1243 CA ASP 3 28 27.170 1.516 -8.824 1.00 0.00 C ATOM 1244 C ASP 3 28 27.227 -0.019 -8.870 1.00 0.00 C ATOM 1245 O ASP 3 28 28.002 -0.585 -9.615 1.00 0.00 O ATOM 1246 CB ASP 3 28 26.635 2.071 -10.145 1.00 0.00 C ATOM 1247 CG ASP 3 28 26.518 3.594 -10.053 1.00 0.00 C ATOM 1248 OD1 ASP 3 28 27.070 4.264 -10.910 1.00 0.00 O ATOM 1249 OD2 ASP 3 28 25.878 4.065 -9.127 1.00 0.00 O ATOM 0 H ASP 3 28 28.940 2.453 -9.562 1.00 0.00 H new ATOM 0 HA ASP 3 28 26.535 1.786 -7.980 1.00 0.00 H new ATOM 0 HB2 ASP 3 28 27.301 1.796 -10.963 1.00 0.00 H new ATOM 0 HB3 ASP 3 28 25.661 1.634 -10.367 1.00 0.00 H new ATOM 1254 N PRO 3 29 26.400 -0.645 -8.071 1.00 0.00 N ATOM 1255 CA PRO 3 29 26.358 -2.129 -8.024 1.00 0.00 C ATOM 1256 C PRO 3 29 25.662 -2.701 -9.264 1.00 0.00 C ATOM 1257 O PRO 3 29 25.564 -3.901 -9.432 1.00 0.00 O ATOM 1258 CB PRO 3 29 25.556 -2.428 -6.760 1.00 0.00 C ATOM 1259 CG PRO 3 29 24.712 -1.214 -6.534 1.00 0.00 C ATOM 1260 CD PRO 3 29 25.436 -0.040 -7.142 1.00 0.00 C ATOM 0 HA PRO 3 29 27.351 -2.578 -8.011 1.00 0.00 H new ATOM 0 HB2 PRO 3 29 24.940 -3.318 -6.886 1.00 0.00 H new ATOM 0 HB3 PRO 3 29 26.214 -2.614 -5.911 1.00 0.00 H new ATOM 0 HG2 PRO 3 29 23.731 -1.338 -6.992 1.00 0.00 H new ATOM 0 HG3 PRO 3 29 24.548 -1.054 -5.468 1.00 0.00 H new ATOM 0 HD2 PRO 3 29 24.747 0.625 -7.662 1.00 0.00 H new ATOM 0 HD3 PRO 3 29 25.939 0.555 -6.379 1.00 0.00 H new ATOM 1268 N ARG 3 30 25.162 -1.858 -10.127 1.00 0.00 N ATOM 1269 CA ARG 3 30 24.463 -2.356 -11.338 1.00 0.00 C ATOM 1270 C ARG 3 30 25.483 -2.796 -12.384 1.00 0.00 C ATOM 1271 O ARG 3 30 25.379 -3.865 -12.954 1.00 0.00 O ATOM 1272 CB ARG 3 30 23.643 -1.166 -11.843 1.00 0.00 C ATOM 1273 CG ARG 3 30 22.965 -0.460 -10.662 1.00 0.00 C ATOM 1274 CD ARG 3 30 22.503 -1.491 -9.625 1.00 0.00 C ATOM 1275 NE ARG 3 30 21.292 -0.887 -9.002 1.00 0.00 N ATOM 1276 CZ ARG 3 30 21.158 -0.882 -7.705 1.00 0.00 C ATOM 1277 NH1 ARG 3 30 21.278 -1.995 -7.034 1.00 0.00 N ATOM 1278 NH2 ARG 3 30 20.900 0.233 -7.080 1.00 0.00 N ATOM 0 H ARG 3 30 25.210 -0.843 -10.042 1.00 0.00 H new ATOM 0 HA ARG 3 30 23.831 -3.219 -11.129 1.00 0.00 H new ATOM 0 HB2 ARG 3 30 24.289 -0.467 -12.373 1.00 0.00 H new ATOM 0 HB3 ARG 3 30 22.891 -1.507 -12.554 1.00 0.00 H new ATOM 0 HG2 ARG 3 30 23.659 0.244 -10.202 1.00 0.00 H new ATOM 0 HG3 ARG 3 30 22.112 0.119 -11.016 1.00 0.00 H new ATOM 0 HD2 ARG 3 30 22.272 -2.447 -10.094 1.00 0.00 H new ATOM 0 HD3 ARG 3 30 23.278 -1.680 -8.882 1.00 0.00 H new ATOM 0 HE ARG 3 30 20.567 -0.477 -9.591 1.00 0.00 H new ATOM 0 HH11 ARG 3 30 21.476 -2.867 -7.524 1.00 0.00 H new ATOM 0 HH12 ARG 3 30 21.173 -1.993 -6.019 1.00 0.00 H new ATOM 0 HH21 ARG 3 30 20.803 1.102 -7.606 1.00 0.00 H new ATOM 0 HH22 ARG 3 30 20.795 0.236 -6.065 1.00 0.00 H new ATOM 1292 N THR 3 31 26.468 -1.982 -12.649 1.00 0.00 N ATOM 1293 CA THR 3 31 27.477 -2.378 -13.668 1.00 0.00 C ATOM 1294 C THR 3 31 28.911 -2.087 -13.199 1.00 0.00 C ATOM 1295 O THR 3 31 29.867 -2.444 -13.858 1.00 0.00 O ATOM 1296 CB THR 3 31 27.137 -1.551 -14.908 1.00 0.00 C ATOM 1297 OG1 THR 3 31 26.994 -0.187 -14.540 1.00 0.00 O ATOM 1298 CG2 THR 3 31 25.828 -2.056 -15.517 1.00 0.00 C ATOM 0 H THR 3 31 26.616 -1.073 -12.211 1.00 0.00 H new ATOM 0 HA THR 3 31 27.442 -3.450 -13.861 1.00 0.00 H new ATOM 0 HB THR 3 31 27.938 -1.649 -15.641 1.00 0.00 H new ATOM 0 HG1 THR 3 31 26.654 0.324 -15.304 1.00 0.00 H new ATOM 0 HG21 THR 3 31 25.586 -1.466 -16.401 1.00 0.00 H new ATOM 0 HG22 THR 3 31 25.938 -3.103 -15.799 1.00 0.00 H new ATOM 0 HG23 THR 3 31 25.025 -1.959 -14.786 1.00 0.00 H new ATOM 1306 N GLY 3 32 29.076 -1.460 -12.068 1.00 0.00 N ATOM 1307 CA GLY 3 32 30.452 -1.172 -11.573 1.00 0.00 C ATOM 1308 C GLY 3 32 30.954 0.166 -12.118 1.00 0.00 C ATOM 1309 O GLY 3 32 32.131 0.467 -12.062 1.00 0.00 O ATOM 0 H GLY 3 32 28.320 -1.135 -11.466 1.00 0.00 H new ATOM 0 HA2 GLY 3 32 30.455 -1.150 -10.483 1.00 0.00 H new ATOM 0 HA3 GLY 3 32 31.128 -1.971 -11.878 1.00 0.00 H new ATOM 1313 N LYS 3 33 30.078 0.981 -12.630 1.00 0.00 N ATOM 1314 CA LYS 3 33 30.508 2.302 -13.157 1.00 0.00 C ATOM 1315 C LYS 3 33 30.750 3.249 -11.985 1.00 0.00 C ATOM 1316 O LYS 3 33 30.591 2.869 -10.842 1.00 0.00 O ATOM 1317 CB LYS 3 33 29.347 2.763 -14.032 1.00 0.00 C ATOM 1318 CG LYS 3 33 29.884 3.519 -15.237 1.00 0.00 C ATOM 1319 CD LYS 3 33 30.716 2.567 -16.102 1.00 0.00 C ATOM 1320 CE LYS 3 33 29.806 1.789 -17.048 1.00 0.00 C ATOM 1321 NZ LYS 3 33 29.480 0.525 -16.329 1.00 0.00 N ATOM 0 H LYS 3 33 29.079 0.788 -12.706 1.00 0.00 H new ATOM 0 HA LYS 3 33 31.436 2.267 -13.728 1.00 0.00 H new ATOM 0 HB2 LYS 3 33 28.763 1.904 -14.360 1.00 0.00 H new ATOM 0 HB3 LYS 3 33 28.677 3.403 -13.457 1.00 0.00 H new ATOM 0 HG2 LYS 3 33 29.060 3.931 -15.819 1.00 0.00 H new ATOM 0 HG3 LYS 3 33 30.495 4.360 -14.910 1.00 0.00 H new ATOM 0 HD2 LYS 3 33 31.451 3.132 -16.675 1.00 0.00 H new ATOM 0 HD3 LYS 3 33 31.270 1.876 -15.467 1.00 0.00 H new ATOM 0 HE2 LYS 3 33 28.903 2.354 -17.279 1.00 0.00 H new ATOM 0 HE3 LYS 3 33 30.305 1.585 -17.995 1.00 0.00 H new ATOM 0 HZ1 LYS 3 33 29.506 -0.271 -16.998 1.00 0.00 H new ATOM 0 HZ2 LYS 3 33 30.177 0.366 -15.574 1.00 0.00 H new ATOM 0 HZ3 LYS 3 33 28.530 0.597 -15.913 1.00 0.00 H new ATOM 1335 N GLU 3 34 31.170 4.464 -12.227 1.00 0.00 N ATOM 1336 CA GLU 3 34 31.439 5.348 -11.050 1.00 0.00 C ATOM 1337 C GLU 3 34 30.875 6.757 -11.233 1.00 0.00 C ATOM 1338 O GLU 3 34 30.487 7.158 -12.312 1.00 0.00 O ATOM 1339 CB GLU 3 34 32.962 5.397 -10.939 1.00 0.00 C ATOM 1340 CG GLU 3 34 33.411 4.581 -9.723 1.00 0.00 C ATOM 1341 CD GLU 3 34 33.947 3.225 -10.186 1.00 0.00 C ATOM 1342 OE1 GLU 3 34 35.156 3.074 -10.234 1.00 0.00 O ATOM 1343 OE2 GLU 3 34 33.138 2.361 -10.482 1.00 0.00 O ATOM 0 H GLU 3 34 31.334 4.872 -13.148 1.00 0.00 H new ATOM 0 HA GLU 3 34 30.957 4.958 -10.154 1.00 0.00 H new ATOM 0 HB2 GLU 3 34 33.417 4.998 -11.846 1.00 0.00 H new ATOM 0 HB3 GLU 3 34 33.297 6.430 -10.842 1.00 0.00 H new ATOM 0 HG2 GLU 3 34 34.183 5.121 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU 3 34 32.575 4.439 -9.039 1.00 0.00 H new ATOM 1350 N PHE 3 35 30.830 7.503 -10.158 1.00 0.00 N ATOM 1351 CA PHE 3 35 30.293 8.892 -10.211 1.00 0.00 C ATOM 1352 C PHE 3 35 31.134 9.810 -9.316 1.00 0.00 C ATOM 1353 O PHE 3 35 31.101 9.705 -8.104 1.00 0.00 O ATOM 1354 CB PHE 3 35 28.866 8.782 -9.670 1.00 0.00 C ATOM 1355 CG PHE 3 35 27.900 9.405 -10.650 1.00 0.00 C ATOM 1356 CD1 PHE 3 35 26.993 10.378 -10.213 1.00 0.00 C ATOM 1357 CD2 PHE 3 35 27.909 9.009 -11.992 1.00 0.00 C ATOM 1358 CE1 PHE 3 35 26.096 10.956 -11.117 1.00 0.00 C ATOM 1359 CE2 PHE 3 35 27.011 9.587 -12.898 1.00 0.00 C ATOM 1360 CZ PHE 3 35 26.104 10.560 -12.461 1.00 0.00 C ATOM 0 H PHE 3 35 31.147 7.203 -9.236 1.00 0.00 H new ATOM 0 HA PHE 3 35 30.318 9.311 -11.217 1.00 0.00 H new ATOM 0 HB2 PHE 3 35 28.609 7.736 -9.506 1.00 0.00 H new ATOM 0 HB3 PHE 3 35 28.793 9.283 -8.705 1.00 0.00 H new ATOM 0 HD1 PHE 3 35 26.986 10.682 -9.177 1.00 0.00 H new ATOM 0 HD2 PHE 3 35 28.608 8.258 -12.329 1.00 0.00 H new ATOM 0 HE1 PHE 3 35 25.397 11.707 -10.779 1.00 0.00 H new ATOM 0 HE2 PHE 3 35 27.018 9.282 -13.934 1.00 0.00 H new ATOM 0 HZ PHE 3 35 25.411 11.005 -13.160 1.00 0.00 H new ATOM 1370 N GLY 3 36 31.892 10.706 -9.898 1.00 0.00 N ATOM 1371 CA GLY 3 36 32.730 11.618 -9.072 1.00 0.00 C ATOM 1372 C GLY 3 36 31.876 12.268 -7.982 1.00 0.00 C ATOM 1373 O GLY 3 36 30.972 13.031 -8.260 1.00 0.00 O ATOM 0 H GLY 3 36 31.964 10.842 -10.906 1.00 0.00 H new ATOM 0 HA2 GLY 3 36 33.550 11.061 -8.619 1.00 0.00 H new ATOM 0 HA3 GLY 3 36 33.176 12.387 -9.703 1.00 0.00 H new ATOM 1377 N LEU 3 37 32.163 11.981 -6.741 1.00 0.00 N ATOM 1378 CA LEU 3 37 31.378 12.594 -5.631 1.00 0.00 C ATOM 1379 C LEU 3 37 32.013 13.926 -5.235 1.00 0.00 C ATOM 1380 O LEU 3 37 31.508 14.986 -5.548 1.00 0.00 O ATOM 1381 CB LEU 3 37 31.469 11.594 -4.479 1.00 0.00 C ATOM 1382 CG LEU 3 37 30.093 10.971 -4.240 1.00 0.00 C ATOM 1383 CD1 LEU 3 37 30.040 9.589 -4.891 1.00 0.00 C ATOM 1384 CD2 LEU 3 37 29.852 10.833 -2.735 1.00 0.00 C ATOM 0 H LEU 3 37 32.907 11.348 -6.448 1.00 0.00 H new ATOM 0 HA LEU 3 37 30.343 12.794 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU 3 37 32.197 10.817 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU 3 37 31.816 12.094 -3.575 1.00 0.00 H new ATOM 0 HG LEU 3 37 29.324 11.609 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU 3 37 29.060 9.144 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU 3 37 30.214 9.685 -5.963 1.00 0.00 H new ATOM 0 HD13 LEU 3 37 30.808 8.951 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU 3 37 28.872 10.389 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU 3 37 30.621 10.194 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU 3 37 29.892 11.817 -2.268 1.00 0.00 H new ATOM 1396 N GLY 3 38 33.122 13.878 -4.555 1.00 0.00 N ATOM 1397 CA GLY 3 38 33.801 15.135 -4.145 1.00 0.00 C ATOM 1398 C GLY 3 38 35.253 14.823 -3.792 1.00 0.00 C ATOM 1399 O GLY 3 38 35.606 13.691 -3.529 1.00 0.00 O ATOM 0 H GLY 3 38 33.589 13.019 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY 3 38 33.759 15.866 -4.952 1.00 0.00 H new ATOM 0 HA3 GLY 3 38 33.292 15.576 -3.288 1.00 0.00 H new ATOM 1403 N ARG 3 39 36.099 15.813 -3.775 1.00 0.00 N ATOM 1404 CA ARG 3 39 37.524 15.558 -3.427 1.00 0.00 C ATOM 1405 C ARG 3 39 37.694 15.549 -1.901 1.00 0.00 C ATOM 1406 O ARG 3 39 38.752 15.238 -1.388 1.00 0.00 O ATOM 1407 CB ARG 3 39 38.308 16.716 -4.047 1.00 0.00 C ATOM 1408 CG ARG 3 39 37.756 17.033 -5.440 1.00 0.00 C ATOM 1409 CD ARG 3 39 36.967 18.343 -5.388 1.00 0.00 C ATOM 1410 NE ARG 3 39 35.610 17.998 -5.896 1.00 0.00 N ATOM 1411 CZ ARG 3 39 34.799 18.943 -6.288 1.00 0.00 C ATOM 1412 NH1 ARG 3 39 34.649 19.185 -7.561 1.00 0.00 N ATOM 1413 NH2 ARG 3 39 34.139 19.644 -5.407 1.00 0.00 N ATOM 0 H ARG 3 39 35.868 16.784 -3.986 1.00 0.00 H new ATOM 0 HA ARG 3 39 37.873 14.594 -3.798 1.00 0.00 H new ATOM 0 HB2 ARG 3 39 38.237 17.597 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG 3 39 39.364 16.456 -4.115 1.00 0.00 H new ATOM 0 HG2 ARG 3 39 38.573 17.116 -6.157 1.00 0.00 H new ATOM 0 HG3 ARG 3 39 37.113 16.222 -5.782 1.00 0.00 H new ATOM 0 HD2 ARG 3 39 36.920 18.735 -4.372 1.00 0.00 H new ATOM 0 HD3 ARG 3 39 37.436 19.110 -6.004 1.00 0.00 H new ATOM 0 HE ARG 3 39 35.314 17.023 -5.938 1.00 0.00 H new ATOM 0 HH11 ARG 3 39 35.165 18.636 -8.249 1.00 0.00 H new ATOM 0 HH12 ARG 3 39 34.016 19.923 -7.869 1.00 0.00 H new ATOM 0 HH21 ARG 3 39 34.257 19.454 -4.412 1.00 0.00 H new ATOM 0 HH22 ARG 3 39 33.505 20.382 -5.714 1.00 0.00 H new ATOM 1427 N ASP 3 40 36.657 15.871 -1.168 1.00 0.00 N ATOM 1428 CA ASP 3 40 36.759 15.859 0.318 1.00 0.00 C ATOM 1429 C ASP 3 40 36.556 14.435 0.833 1.00 0.00 C ATOM 1430 O ASP 3 40 35.854 13.637 0.245 1.00 0.00 O ATOM 1431 CB ASP 3 40 35.655 16.798 0.803 1.00 0.00 C ATOM 1432 CG ASP 3 40 36.210 18.218 0.922 1.00 0.00 C ATOM 1433 OD1 ASP 3 40 36.506 18.806 -0.107 1.00 0.00 O ATOM 1434 OD2 ASP 3 40 36.331 18.695 2.038 1.00 0.00 O ATOM 0 H ASP 3 40 35.746 16.141 -1.538 1.00 0.00 H new ATOM 0 HA ASP 3 40 37.734 16.186 0.680 1.00 0.00 H new ATOM 0 HB2 ASP 3 40 34.816 16.781 0.107 1.00 0.00 H new ATOM 0 HB3 ASP 3 40 35.275 16.462 1.768 1.00 0.00 H new ATOM 1439 N ARG 3 41 37.192 14.114 1.917 1.00 0.00 N ATOM 1440 CA ARG 3 41 37.087 12.740 2.491 1.00 0.00 C ATOM 1441 C ARG 3 41 35.776 12.567 3.254 1.00 0.00 C ATOM 1442 O ARG 3 41 35.017 11.649 3.012 1.00 0.00 O ATOM 1443 CB ARG 3 41 38.276 12.632 3.447 1.00 0.00 C ATOM 1444 CG ARG 3 41 38.780 11.189 3.484 1.00 0.00 C ATOM 1445 CD ARG 3 41 39.097 10.796 4.929 1.00 0.00 C ATOM 1446 NE ARG 3 41 40.547 11.089 5.100 1.00 0.00 N ATOM 1447 CZ ARG 3 41 40.927 12.214 5.643 1.00 0.00 C ATOM 1448 NH1 ARG 3 41 41.271 13.220 4.887 1.00 0.00 N ATOM 1449 NH2 ARG 3 41 40.965 12.330 6.942 1.00 0.00 N ATOM 0 H ARG 3 41 37.791 14.751 2.442 1.00 0.00 H new ATOM 0 HA ARG 3 41 37.098 11.971 1.718 1.00 0.00 H new ATOM 0 HB2 ARG 3 41 39.076 13.298 3.124 1.00 0.00 H new ATOM 0 HB3 ARG 3 41 37.981 12.950 4.447 1.00 0.00 H new ATOM 0 HG2 ARG 3 41 38.026 10.519 3.071 1.00 0.00 H new ATOM 0 HG3 ARG 3 41 39.671 11.088 2.864 1.00 0.00 H new ATOM 0 HD2 ARG 3 41 38.493 11.367 5.635 1.00 0.00 H new ATOM 0 HD3 ARG 3 41 38.884 9.742 5.107 1.00 0.00 H new ATOM 0 HE ARG 3 41 41.244 10.410 4.793 1.00 0.00 H new ATOM 0 HH11 ARG 3 41 41.243 13.128 3.872 1.00 0.00 H new ATOM 0 HH12 ARG 3 41 41.568 14.099 5.311 1.00 0.00 H new ATOM 0 HH21 ARG 3 41 40.698 11.542 7.532 1.00 0.00 H new ATOM 0 HH22 ARG 3 41 41.262 13.208 7.367 1.00 0.00 H new ATOM 1463 N ARG 3 42 35.514 13.438 4.184 1.00 0.00 N ATOM 1464 CA ARG 3 42 34.259 13.326 4.981 1.00 0.00 C ATOM 1465 C ARG 3 42 33.045 13.596 4.097 1.00 0.00 C ATOM 1466 O ARG 3 42 31.961 13.110 4.342 1.00 0.00 O ATOM 1467 CB ARG 3 42 34.385 14.396 6.065 1.00 0.00 C ATOM 1468 CG ARG 3 42 33.135 14.384 6.944 1.00 0.00 C ATOM 1469 CD ARG 3 42 33.223 15.517 7.971 1.00 0.00 C ATOM 1470 NE ARG 3 42 32.622 14.957 9.212 1.00 0.00 N ATOM 1471 CZ ARG 3 42 31.412 14.470 9.189 1.00 0.00 C ATOM 1472 NH1 ARG 3 42 30.462 15.112 8.566 1.00 0.00 N ATOM 1473 NH2 ARG 3 42 31.152 13.342 9.790 1.00 0.00 N ATOM 0 H ARG 3 42 36.114 14.225 4.429 1.00 0.00 H new ATOM 0 HA ARG 3 42 34.125 12.330 5.404 1.00 0.00 H new ATOM 0 HB2 ARG 3 42 35.271 14.210 6.672 1.00 0.00 H new ATOM 0 HB3 ARG 3 42 34.512 15.378 5.608 1.00 0.00 H new ATOM 0 HG2 ARG 3 42 32.243 14.505 6.329 1.00 0.00 H new ATOM 0 HG3 ARG 3 42 33.044 13.424 7.452 1.00 0.00 H new ATOM 0 HD2 ARG 3 42 34.257 15.822 8.135 1.00 0.00 H new ATOM 0 HD3 ARG 3 42 32.680 16.400 7.633 1.00 0.00 H new ATOM 0 HE ARG 3 42 33.156 14.954 10.081 1.00 0.00 H new ATOM 0 HH11 ARG 3 42 30.666 15.995 8.097 1.00 0.00 H new ATOM 0 HH12 ARG 3 42 29.516 14.731 8.548 1.00 0.00 H new ATOM 0 HH21 ARG 3 42 31.895 12.841 10.278 1.00 0.00 H new ATOM 0 HH22 ARG 3 42 30.206 12.961 9.772 1.00 0.00 H new ATOM 1487 N ILE 3 43 33.223 14.383 3.078 1.00 0.00 N ATOM 1488 CA ILE 3 43 32.093 14.718 2.168 1.00 0.00 C ATOM 1489 C ILE 3 43 31.706 13.529 1.280 1.00 0.00 C ATOM 1490 O ILE 3 43 30.609 13.015 1.359 1.00 0.00 O ATOM 1491 CB ILE 3 43 32.647 15.852 1.318 1.00 0.00 C ATOM 1492 CG1 ILE 3 43 32.755 17.128 2.160 1.00 0.00 C ATOM 1493 CG2 ILE 3 43 31.726 16.100 0.123 1.00 0.00 C ATOM 1494 CD1 ILE 3 43 31.408 17.425 2.825 1.00 0.00 C ATOM 0 H ILE 3 43 34.114 14.815 2.832 1.00 0.00 H new ATOM 0 HA ILE 3 43 31.188 14.983 2.715 1.00 0.00 H new ATOM 0 HB ILE 3 43 33.638 15.576 0.957 1.00 0.00 H new ATOM 0 HG12 ILE 3 43 33.528 17.009 2.919 1.00 0.00 H new ATOM 0 HG13 ILE 3 43 33.053 17.966 1.530 1.00 0.00 H new ATOM 0 HG21 ILE 3 43 32.127 16.913 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE 3 43 31.662 15.195 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE 3 43 30.732 16.369 0.480 1.00 0.00 H new ATOM 0 HD11 ILE 3 43 31.490 18.333 3.423 1.00 0.00 H new ATOM 0 HD12 ILE 3 43 30.646 17.563 2.058 1.00 0.00 H new ATOM 0 HD13 ILE 3 43 31.128 16.591 3.469 1.00 0.00 H new ATOM 1506 N ALA 3 44 32.594 13.103 0.423 1.00 0.00 N ATOM 1507 CA ALA 3 44 32.269 11.962 -0.483 1.00 0.00 C ATOM 1508 C ALA 3 44 31.810 10.753 0.330 1.00 0.00 C ATOM 1509 O ALA 3 44 30.825 10.118 0.015 1.00 0.00 O ATOM 1510 CB ALA 3 44 33.576 11.650 -1.202 1.00 0.00 C ATOM 0 H ALA 3 44 33.529 13.494 0.310 1.00 0.00 H new ATOM 0 HA ALA 3 44 31.464 12.203 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA 3 44 33.423 10.819 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA 3 44 33.903 12.528 -1.760 1.00 0.00 H new ATOM 0 HB3 ALA 3 44 34.338 11.380 -0.471 1.00 0.00 H new ATOM 1516 N ILE 3 45 32.517 10.429 1.375 1.00 0.00 N ATOM 1517 CA ILE 3 45 32.117 9.261 2.207 1.00 0.00 C ATOM 1518 C ILE 3 45 30.728 9.498 2.805 1.00 0.00 C ATOM 1519 O ILE 3 45 29.843 8.675 2.690 1.00 0.00 O ATOM 1520 CB ILE 3 45 33.165 9.186 3.315 1.00 0.00 C ATOM 1521 CG1 ILE 3 45 34.464 8.585 2.764 1.00 0.00 C ATOM 1522 CG2 ILE 3 45 32.634 8.311 4.449 1.00 0.00 C ATOM 1523 CD1 ILE 3 45 35.643 9.062 3.613 1.00 0.00 C ATOM 0 H ILE 3 45 33.353 10.921 1.689 1.00 0.00 H new ATOM 0 HA ILE 3 45 32.068 8.338 1.629 1.00 0.00 H new ATOM 0 HB ILE 3 45 33.370 10.189 3.690 1.00 0.00 H new ATOM 0 HG12 ILE 3 45 34.409 7.496 2.777 1.00 0.00 H new ATOM 0 HG13 ILE 3 45 34.605 8.884 1.725 1.00 0.00 H new ATOM 0 HG21 ILE 3 45 33.378 8.254 5.243 1.00 0.00 H new ATOM 0 HG22 ILE 3 45 31.715 8.745 4.843 1.00 0.00 H new ATOM 0 HG23 ILE 3 45 32.429 7.309 4.071 1.00 0.00 H new ATOM 0 HD11 ILE 3 45 36.568 8.636 3.223 1.00 0.00 H new ATOM 0 HD12 ILE 3 45 35.701 10.150 3.577 1.00 0.00 H new ATOM 0 HD13 ILE 3 45 35.502 8.740 4.645 1.00 0.00 H new ATOM 1535 N THR 3 46 30.533 10.622 3.438 1.00 0.00 N ATOM 1536 CA THR 3 46 29.205 10.922 4.046 1.00 0.00 C ATOM 1537 C THR 3 46 28.096 10.700 3.016 1.00 0.00 C ATOM 1538 O THR 3 46 27.064 10.127 3.310 1.00 0.00 O ATOM 1539 CB THR 3 46 29.286 12.401 4.438 1.00 0.00 C ATOM 1540 OG1 THR 3 46 29.866 12.516 5.729 1.00 0.00 O ATOM 1541 CG2 THR 3 46 27.887 13.019 4.452 1.00 0.00 C ATOM 0 H THR 3 46 31.238 11.348 3.561 1.00 0.00 H new ATOM 0 HA THR 3 46 28.979 10.282 4.899 1.00 0.00 H new ATOM 0 HB THR 3 46 29.901 12.929 3.709 1.00 0.00 H new ATOM 0 HG1 THR 3 46 30.805 12.781 5.643 1.00 0.00 H new ATOM 0 HG21 THR 3 46 27.956 14.070 4.732 1.00 0.00 H new ATOM 0 HG22 THR 3 46 27.443 12.936 3.460 1.00 0.00 H new ATOM 0 HG23 THR 3 46 27.264 12.492 5.174 1.00 0.00 H new ATOM 1549 N GLU 3 47 28.306 11.144 1.811 1.00 0.00 N ATOM 1550 CA GLU 3 47 27.270 10.959 0.755 1.00 0.00 C ATOM 1551 C GLU 3 47 27.013 9.468 0.522 1.00 0.00 C ATOM 1552 O GLU 3 47 25.884 9.024 0.463 1.00 0.00 O ATOM 1553 CB GLU 3 47 27.859 11.607 -0.498 1.00 0.00 C ATOM 1554 CG GLU 3 47 27.552 13.106 -0.491 1.00 0.00 C ATOM 1555 CD GLU 3 47 26.038 13.316 -0.572 1.00 0.00 C ATOM 1556 OE1 GLU 3 47 25.478 13.822 0.387 1.00 0.00 O ATOM 1557 OE2 GLU 3 47 25.465 12.970 -1.593 1.00 0.00 O ATOM 0 H GLU 3 47 29.151 11.628 1.509 1.00 0.00 H new ATOM 0 HA GLU 3 47 26.315 11.405 1.031 1.00 0.00 H new ATOM 0 HB2 GLU 3 47 28.937 11.446 -0.531 1.00 0.00 H new ATOM 0 HB3 GLU 3 47 27.440 11.143 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU 3 47 27.946 13.565 0.416 1.00 0.00 H new ATOM 0 HG3 GLU 3 47 28.043 13.593 -1.333 1.00 0.00 H new ATOM 1564 N ALA 3 48 28.054 8.693 0.386 1.00 0.00 N ATOM 1565 CA ALA 3 48 27.868 7.233 0.153 1.00 0.00 C ATOM 1566 C ALA 3 48 27.119 6.595 1.327 1.00 0.00 C ATOM 1567 O ALA 3 48 26.331 5.688 1.149 1.00 0.00 O ATOM 1568 CB ALA 3 48 29.281 6.663 0.051 1.00 0.00 C ATOM 0 H ALA 3 48 29.024 9.007 0.426 1.00 0.00 H new ATOM 0 HA ALA 3 48 27.280 7.034 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA 3 48 29.228 5.588 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA 3 48 29.806 7.138 -0.778 1.00 0.00 H new ATOM 0 HB3 ALA 3 48 29.819 6.856 0.979 1.00 0.00 H new ATOM 1574 N ILE 3 49 27.353 7.060 2.525 1.00 0.00 N ATOM 1575 CA ILE 3 49 26.645 6.471 3.696 1.00 0.00 C ATOM 1576 C ILE 3 49 25.137 6.667 3.536 1.00 0.00 C ATOM 1577 O ILE 3 49 24.358 5.759 3.750 1.00 0.00 O ATOM 1578 CB ILE 3 49 27.167 7.237 4.912 1.00 0.00 C ATOM 1579 CG1 ILE 3 49 28.317 6.450 5.552 1.00 0.00 C ATOM 1580 CG2 ILE 3 49 26.037 7.408 5.930 1.00 0.00 C ATOM 1581 CD1 ILE 3 49 29.653 7.017 5.072 1.00 0.00 C ATOM 0 H ILE 3 49 28.000 7.818 2.742 1.00 0.00 H new ATOM 0 HA ILE 3 49 26.822 5.400 3.796 1.00 0.00 H new ATOM 0 HB ILE 3 49 27.525 8.218 4.600 1.00 0.00 H new ATOM 0 HG12 ILE 3 49 28.253 6.511 6.638 1.00 0.00 H new ATOM 0 HG13 ILE 3 49 28.241 5.395 5.287 1.00 0.00 H new ATOM 0 HG21 ILE 3 49 26.408 7.954 6.797 1.00 0.00 H new ATOM 0 HG22 ILE 3 49 25.218 7.964 5.474 1.00 0.00 H new ATOM 0 HG23 ILE 3 49 25.679 6.428 6.244 1.00 0.00 H new ATOM 0 HD11 ILE 3 49 30.470 6.457 5.527 1.00 0.00 H new ATOM 0 HD12 ILE 3 49 29.715 6.933 3.987 1.00 0.00 H new ATOM 0 HD13 ILE 3 49 29.727 8.066 5.359 1.00 0.00 H new ATOM 1593 N GLN 3 50 24.717 7.840 3.148 1.00 0.00 N ATOM 1594 CA GLN 3 50 23.258 8.071 2.962 1.00 0.00 C ATOM 1595 C GLN 3 50 22.730 7.121 1.890 1.00 0.00 C ATOM 1596 O GLN 3 50 21.689 6.503 2.035 1.00 0.00 O ATOM 1597 CB GLN 3 50 23.135 9.526 2.505 1.00 0.00 C ATOM 1598 CG GLN 3 50 22.743 10.404 3.694 1.00 0.00 C ATOM 1599 CD GLN 3 50 21.235 10.669 3.658 1.00 0.00 C ATOM 1600 OE1 GLN 3 50 20.787 11.740 4.014 1.00 0.00 O ATOM 1601 NE2 GLN 3 50 20.430 9.732 3.240 1.00 0.00 N ATOM 0 H GLN 3 50 25.316 8.642 2.953 1.00 0.00 H new ATOM 0 HA GLN 3 50 22.684 7.891 3.871 1.00 0.00 H new ATOM 0 HB2 GLN 3 50 24.081 9.867 2.084 1.00 0.00 H new ATOM 0 HB3 GLN 3 50 22.387 9.608 1.716 1.00 0.00 H new ATOM 0 HG2 GLN 3 50 23.014 9.912 4.628 1.00 0.00 H new ATOM 0 HG3 GLN 3 50 23.290 11.346 3.660 1.00 0.00 H new ATOM 0 HE21 GLN 3 50 20.806 8.832 2.941 1.00 0.00 H new ATOM 0 HE22 GLN 3 50 19.424 9.899 3.212 1.00 0.00 H new ATOM 1610 N ALA 3 51 23.459 6.986 0.822 1.00 0.00 N ATOM 1611 CA ALA 3 51 23.028 6.063 -0.260 1.00 0.00 C ATOM 1612 C ALA 3 51 22.932 4.645 0.301 1.00 0.00 C ATOM 1613 O ALA 3 51 22.042 3.895 -0.034 1.00 0.00 O ATOM 1614 CB ALA 3 51 24.123 6.149 -1.323 1.00 0.00 C ATOM 0 H ALA 3 51 24.337 7.476 0.651 1.00 0.00 H new ATOM 0 HA ALA 3 51 22.053 6.322 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA 3 51 23.874 5.492 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA 3 51 24.202 7.175 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA 3 51 25.075 5.841 -0.891 1.00 0.00 H new ATOM 1620 N ASN 3 52 23.840 4.281 1.166 1.00 0.00 N ATOM 1621 CA ASN 3 52 23.791 2.918 1.764 1.00 0.00 C ATOM 1622 C ASN 3 52 22.484 2.746 2.537 1.00 0.00 C ATOM 1623 O ASN 3 52 21.937 1.664 2.616 1.00 0.00 O ATOM 1624 CB ASN 3 52 24.990 2.849 2.710 1.00 0.00 C ATOM 1625 CG ASN 3 52 26.284 2.824 1.894 1.00 0.00 C ATOM 1626 OD1 ASN 3 52 27.391 3.248 2.438 1.00 0.00 O flip ATOM 1627 ND2 ASN 3 52 26.287 2.414 0.750 1.00 0.00 N flip ATOM 0 H ASN 3 52 24.612 4.868 1.483 1.00 0.00 H new ATOM 0 HA ASN 3 52 23.831 2.130 1.012 1.00 0.00 H new ATOM 0 HB2 ASN 3 52 24.987 3.708 3.381 1.00 0.00 H new ATOM 0 HB3 ASN 3 52 24.924 1.958 3.334 1.00 0.00 H new ATOM 0 HD21 ASN 3 52 25.421 2.082 0.325 1.00 0.00 H new ATOM 0 HD22 ASN 3 52 27.155 2.401 0.215 1.00 0.00 H new ATOM 1634 N ILE 3 53 21.969 3.809 3.096 1.00 0.00 N ATOM 1635 CA ILE 3 53 20.687 3.697 3.844 1.00 0.00 C ATOM 1636 C ILE 3 53 19.592 3.290 2.868 1.00 0.00 C ATOM 1637 O ILE 3 53 18.870 2.336 3.083 1.00 0.00 O ATOM 1638 CB ILE 3 53 20.413 5.097 4.396 1.00 0.00 C ATOM 1639 CG1 ILE 3 53 21.635 5.593 5.174 1.00 0.00 C ATOM 1640 CG2 ILE 3 53 19.202 5.049 5.328 1.00 0.00 C ATOM 1641 CD1 ILE 3 53 22.312 4.409 5.865 1.00 0.00 C ATOM 0 H ILE 3 53 22.379 4.743 3.067 1.00 0.00 H new ATOM 0 HA ILE 3 53 20.725 2.958 4.644 1.00 0.00 H new ATOM 0 HB ILE 3 53 20.211 5.778 3.569 1.00 0.00 H new ATOM 0 HG12 ILE 3 53 22.336 6.083 4.498 1.00 0.00 H new ATOM 0 HG13 ILE 3 53 21.333 6.335 5.913 1.00 0.00 H new ATOM 0 HG21 ILE 3 53 19.006 6.046 5.722 1.00 0.00 H new ATOM 0 HG22 ILE 3 53 18.330 4.700 4.774 1.00 0.00 H new ATOM 0 HG23 ILE 3 53 19.405 4.366 6.153 1.00 0.00 H new ATOM 0 HD11 ILE 3 53 23.182 4.760 6.419 1.00 0.00 H new ATOM 0 HD12 ILE 3 53 21.609 3.939 6.553 1.00 0.00 H new ATOM 0 HD13 ILE 3 53 22.628 3.683 5.116 1.00 0.00 H new ATOM 1653 N GLU 3 54 19.481 3.998 1.781 1.00 0.00 N ATOM 1654 CA GLU 3 54 18.450 3.640 0.769 1.00 0.00 C ATOM 1655 C GLU 3 54 18.786 2.272 0.167 1.00 0.00 C ATOM 1656 O GLU 3 54 17.924 1.444 -0.048 1.00 0.00 O ATOM 1657 CB GLU 3 54 18.532 4.738 -0.292 1.00 0.00 C ATOM 1658 CG GLU 3 54 18.221 6.091 0.350 1.00 0.00 C ATOM 1659 CD GLU 3 54 16.879 6.011 1.081 1.00 0.00 C ATOM 1660 OE1 GLU 3 54 16.743 6.665 2.102 1.00 0.00 O ATOM 1661 OE2 GLU 3 54 16.010 5.296 0.608 1.00 0.00 O ATOM 0 H GLU 3 54 20.057 4.807 1.549 1.00 0.00 H new ATOM 0 HA GLU 3 54 17.448 3.572 1.191 1.00 0.00 H new ATOM 0 HB2 GLU 3 54 19.527 4.755 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU 3 54 17.826 4.534 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU 3 54 19.012 6.365 1.048 1.00 0.00 H new ATOM 0 HG3 GLU 3 54 18.186 6.868 -0.413 1.00 0.00 H new ATOM 1668 N LEU 3 55 20.044 2.029 -0.097 1.00 0.00 N ATOM 1669 CA LEU 3 55 20.456 0.717 -0.674 1.00 0.00 C ATOM 1670 C LEU 3 55 20.009 -0.420 0.244 1.00 0.00 C ATOM 1671 O LEU 3 55 19.710 -1.511 -0.199 1.00 0.00 O ATOM 1672 CB LEU 3 55 21.982 0.778 -0.754 1.00 0.00 C ATOM 1673 CG LEU 3 55 22.404 1.319 -2.123 1.00 0.00 C ATOM 1674 CD1 LEU 3 55 23.845 1.831 -2.050 1.00 0.00 C ATOM 1675 CD2 LEU 3 55 22.314 0.198 -3.165 1.00 0.00 C ATOM 0 H LEU 3 55 20.806 2.687 0.064 1.00 0.00 H new ATOM 0 HA LEU 3 55 20.008 0.534 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU 3 55 22.372 1.418 0.037 1.00 0.00 H new ATOM 0 HB3 LEU 3 55 22.404 -0.215 -0.598 1.00 0.00 H new ATOM 0 HG LEU 3 55 21.742 2.137 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU 3 55 24.144 2.216 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU 3 55 23.911 2.628 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU 3 55 24.507 1.014 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU 3 55 22.614 0.582 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU 3 55 22.975 -0.620 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU 3 55 21.288 -0.167 -3.219 1.00 0.00 H new ATOM 1687 N PHE 3 56 19.960 -0.171 1.522 1.00 0.00 N ATOM 1688 CA PHE 3 56 19.532 -1.233 2.474 1.00 0.00 C ATOM 1689 C PHE 3 56 18.008 -1.219 2.653 1.00 0.00 C ATOM 1690 O PHE 3 56 17.473 -1.912 3.494 1.00 0.00 O ATOM 1691 CB PHE 3 56 20.230 -0.890 3.791 1.00 0.00 C ATOM 1692 CG PHE 3 56 21.652 -1.395 3.753 1.00 0.00 C ATOM 1693 CD1 PHE 3 56 22.706 -0.552 4.126 1.00 0.00 C ATOM 1694 CD2 PHE 3 56 21.917 -2.708 3.347 1.00 0.00 C ATOM 1695 CE1 PHE 3 56 24.024 -1.022 4.093 1.00 0.00 C ATOM 1696 CE2 PHE 3 56 23.235 -3.178 3.313 1.00 0.00 C ATOM 1697 CZ PHE 3 56 24.289 -2.335 3.686 1.00 0.00 C ATOM 0 H PHE 3 56 20.198 0.724 1.949 1.00 0.00 H new ATOM 0 HA PHE 3 56 19.794 -2.229 2.118 1.00 0.00 H new ATOM 0 HB2 PHE 3 56 20.220 0.188 3.950 1.00 0.00 H new ATOM 0 HB3 PHE 3 56 19.695 -1.341 4.627 1.00 0.00 H new ATOM 0 HD1 PHE 3 56 22.502 0.461 4.439 1.00 0.00 H new ATOM 0 HD2 PHE 3 56 21.104 -3.359 3.060 1.00 0.00 H new ATOM 0 HE1 PHE 3 56 24.837 -0.372 4.382 1.00 0.00 H new ATOM 0 HE2 PHE 3 56 23.439 -4.191 2.999 1.00 0.00 H new ATOM 0 HZ PHE 3 56 25.306 -2.698 3.660 1.00 0.00 H new