USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=8 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 15 ASN : amide:sc= -1.88! C(o=-7!,f=-8!) USER MOD Set 1.2: 3 52 ASN : amide:sc= -5.14! C(o=-7!,f=-8.1!) USER MOD Single : 3 6 SER OG : rot 180:sc= 0 USER MOD Single : 3 7 HIS : no HD1:sc= -0.227 K(o=-0.23,f=-1.3) USER MOD Single : 3 17 TYR OH : rot 180:sc= 0 USER MOD Single : 3 20 ASN : amide:sc=-0.00724 X(o=-0.0072,f=-0.04) USER MOD Single : 3 21 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.19) USER MOD Single : 3 23 TYR OH : rot 180:sc= 0.234 USER MOD Single : 3 24 TYR OH : rot 180:sc= -2.2 USER MOD Single : 3 25 CYS SG : rot -5:sc= -0.205! USER MOD Single : 3 26 TYR OH : rot 30:sc= -0.623 USER MOD Single : 3 31 THR OG1 : rot -171:sc= -0.392 USER MOD Single : 3 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 3 46 THR OG1 : rot 101:sc= 0.975 USER MOD Single : 3 50 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 790 N ARG 3 3 40.362 -7.679 -5.257 1.00 0.00 N ATOM 791 CA ARG 3 3 40.765 -6.746 -4.166 1.00 0.00 C ATOM 792 C ARG 3 3 39.790 -6.861 -2.991 1.00 0.00 C ATOM 793 O ARG 3 3 38.660 -6.420 -3.064 1.00 0.00 O ATOM 794 CB ARG 3 3 40.700 -5.352 -4.791 1.00 0.00 C ATOM 795 CG ARG 3 3 41.912 -5.148 -5.702 1.00 0.00 C ATOM 796 CD ARG 3 3 41.506 -5.404 -7.154 1.00 0.00 C ATOM 797 NE ARG 3 3 42.437 -4.574 -7.968 1.00 0.00 N ATOM 798 CZ ARG 3 3 43.585 -5.065 -8.349 1.00 0.00 C ATOM 799 NH1 ARG 3 3 43.863 -5.157 -9.620 1.00 0.00 N ATOM 800 NH2 ARG 3 3 44.456 -5.459 -7.460 1.00 0.00 N ATOM 0 HA ARG 3 3 41.759 -6.967 -3.776 1.00 0.00 H new ATOM 0 HB2 ARG 3 3 39.779 -5.240 -5.362 1.00 0.00 H new ATOM 0 HB3 ARG 3 3 40.686 -4.591 -4.010 1.00 0.00 H new ATOM 0 HG2 ARG 3 3 42.295 -4.133 -5.594 1.00 0.00 H new ATOM 0 HG3 ARG 3 3 42.716 -5.825 -5.413 1.00 0.00 H new ATOM 0 HD2 ARG 3 3 41.595 -6.460 -7.408 1.00 0.00 H new ATOM 0 HD3 ARG 3 3 40.468 -5.120 -7.329 1.00 0.00 H new ATOM 0 HE ARG 3 3 42.178 -3.622 -8.228 1.00 0.00 H new ATOM 0 HH11 ARG 3 3 43.184 -4.846 -10.314 1.00 0.00 H new ATOM 0 HH12 ARG 3 3 44.760 -5.540 -9.920 1.00 0.00 H new ATOM 0 HH21 ARG 3 3 44.240 -5.383 -6.466 1.00 0.00 H new ATOM 0 HH22 ARG 3 3 45.353 -5.842 -7.759 1.00 0.00 H new ATOM 814 N ARG 3 4 40.218 -7.454 -1.911 1.00 0.00 N ATOM 815 CA ARG 3 4 39.314 -7.601 -0.734 1.00 0.00 C ATOM 816 C ARG 3 4 39.297 -6.312 0.091 1.00 0.00 C ATOM 817 O ARG 3 4 38.279 -5.664 0.226 1.00 0.00 O ATOM 818 CB ARG 3 4 39.910 -8.749 0.080 1.00 0.00 C ATOM 819 CG ARG 3 4 39.126 -10.034 -0.194 1.00 0.00 C ATOM 820 CD ARG 3 4 39.579 -11.125 0.777 1.00 0.00 C ATOM 821 NE ARG 3 4 39.752 -12.340 -0.066 1.00 0.00 N ATOM 822 CZ ARG 3 4 40.716 -13.181 0.192 1.00 0.00 C ATOM 823 NH1 ARG 3 4 40.611 -14.006 1.197 1.00 0.00 N ATOM 824 NH2 ARG 3 4 41.783 -13.198 -0.559 1.00 0.00 N ATOM 0 H ARG 3 4 41.153 -7.843 -1.792 1.00 0.00 H new ATOM 0 HA ARG 3 4 38.284 -7.799 -1.029 1.00 0.00 H new ATOM 0 HB2 ARG 3 4 40.959 -8.888 -0.182 1.00 0.00 H new ATOM 0 HB3 ARG 3 4 39.876 -8.510 1.143 1.00 0.00 H new ATOM 0 HG2 ARG 3 4 38.057 -9.852 -0.080 1.00 0.00 H new ATOM 0 HG3 ARG 3 4 39.286 -10.358 -1.222 1.00 0.00 H new ATOM 0 HD2 ARG 3 4 40.511 -10.851 1.272 1.00 0.00 H new ATOM 0 HD3 ARG 3 4 38.839 -11.289 1.560 1.00 0.00 H new ATOM 0 HE ARG 3 4 39.117 -12.515 -0.845 1.00 0.00 H new ATOM 0 HH11 ARG 3 4 39.775 -13.994 1.782 1.00 0.00 H new ATOM 0 HH12 ARG 3 4 41.365 -14.663 1.398 1.00 0.00 H new ATOM 0 HH21 ARG 3 4 41.863 -12.555 -1.346 1.00 0.00 H new ATOM 0 HH22 ARG 3 4 42.537 -13.855 -0.359 1.00 0.00 H new ATOM 838 N ARG 3 5 40.417 -5.937 0.647 1.00 0.00 N ATOM 839 CA ARG 3 5 40.459 -4.691 1.466 1.00 0.00 C ATOM 840 C ARG 3 5 41.695 -3.859 1.113 1.00 0.00 C ATOM 841 O ARG 3 5 42.743 -4.387 0.797 1.00 0.00 O ATOM 842 CB ARG 3 5 40.536 -5.174 2.914 1.00 0.00 C ATOM 843 CG ARG 3 5 39.664 -4.279 3.796 1.00 0.00 C ATOM 844 CD ARG 3 5 38.277 -4.906 3.944 1.00 0.00 C ATOM 845 NE ARG 3 5 38.179 -5.283 5.381 1.00 0.00 N ATOM 846 CZ ARG 3 5 37.019 -5.573 5.901 1.00 0.00 C ATOM 847 NH1 ARG 3 5 36.649 -6.819 6.016 1.00 0.00 N ATOM 848 NH2 ARG 3 5 36.228 -4.617 6.305 1.00 0.00 N ATOM 0 H ARG 3 5 41.302 -6.438 0.570 1.00 0.00 H new ATOM 0 HA ARG 3 5 39.591 -4.055 1.290 1.00 0.00 H new ATOM 0 HB2 ARG 3 5 40.200 -6.209 2.982 1.00 0.00 H new ATOM 0 HB3 ARG 3 5 41.569 -5.151 3.262 1.00 0.00 H new ATOM 0 HG2 ARG 3 5 40.125 -4.155 4.776 1.00 0.00 H new ATOM 0 HG3 ARG 3 5 39.581 -3.286 3.355 1.00 0.00 H new ATOM 0 HD2 ARG 3 5 37.493 -4.201 3.666 1.00 0.00 H new ATOM 0 HD3 ARG 3 5 38.166 -5.777 3.298 1.00 0.00 H new ATOM 0 HE ARG 3 5 39.019 -5.314 5.959 1.00 0.00 H new ATOM 0 HH11 ARG 3 5 37.267 -7.566 5.699 1.00 0.00 H new ATOM 0 HH12 ARG 3 5 35.742 -7.046 6.423 1.00 0.00 H new ATOM 0 HH21 ARG 3 5 36.517 -3.643 6.214 1.00 0.00 H new ATOM 0 HH22 ARG 3 5 35.321 -4.844 6.712 1.00 0.00 H new ATOM 862 N SER 3 6 41.579 -2.559 1.164 1.00 0.00 N ATOM 863 CA SER 3 6 42.747 -1.694 0.833 1.00 0.00 C ATOM 864 C SER 3 6 42.977 -0.666 1.944 1.00 0.00 C ATOM 865 O SER 3 6 42.265 -0.633 2.930 1.00 0.00 O ATOM 866 CB SER 3 6 42.363 -0.995 -0.470 1.00 0.00 C ATOM 867 OG SER 3 6 43.350 -1.267 -1.457 1.00 0.00 O ATOM 0 H SER 3 6 40.727 -2.060 1.420 1.00 0.00 H new ATOM 0 HA SER 3 6 43.669 -2.266 0.734 1.00 0.00 H new ATOM 0 HB2 SER 3 6 41.387 -1.343 -0.809 1.00 0.00 H new ATOM 0 HB3 SER 3 6 42.280 0.080 -0.309 1.00 0.00 H new ATOM 0 HG SER 3 6 43.106 -0.821 -2.295 1.00 0.00 H new ATOM 873 N HIS 3 7 43.964 0.174 1.793 1.00 0.00 N ATOM 874 CA HIS 3 7 44.237 1.199 2.841 1.00 0.00 C ATOM 875 C HIS 3 7 43.276 2.381 2.688 1.00 0.00 C ATOM 876 O HIS 3 7 42.790 2.928 3.657 1.00 0.00 O ATOM 877 CB HIS 3 7 45.678 1.648 2.599 1.00 0.00 C ATOM 878 CG HIS 3 7 45.953 2.891 3.402 1.00 0.00 C ATOM 879 ND1 HIS 3 7 45.717 4.161 2.901 1.00 0.00 N ATOM 880 CD2 HIS 3 7 46.437 3.073 4.674 1.00 0.00 C ATOM 881 CE1 HIS 3 7 46.057 5.044 3.858 1.00 0.00 C ATOM 882 NE2 HIS 3 7 46.502 4.434 4.960 1.00 0.00 N ATOM 0 H HIS 3 7 44.593 0.195 0.990 1.00 0.00 H new ATOM 0 HA HIS 3 7 44.099 0.803 3.847 1.00 0.00 H new ATOM 0 HB2 HIS 3 7 46.371 0.856 2.884 1.00 0.00 H new ATOM 0 HB3 HIS 3 7 45.837 1.844 1.539 1.00 0.00 H new ATOM 0 HD2 HIS 3 7 46.724 2.281 5.350 1.00 0.00 H new ATOM 0 HE1 HIS 3 7 45.979 6.116 3.748 1.00 0.00 H new ATOM 0 HE2 HIS 3 7 46.821 4.871 5.825 1.00 0.00 H new ATOM 890 N GLU 3 8 42.991 2.778 1.479 1.00 0.00 N ATOM 891 CA GLU 3 8 42.054 3.923 1.281 1.00 0.00 C ATOM 892 C GLU 3 8 40.633 3.473 1.594 1.00 0.00 C ATOM 893 O GLU 3 8 39.854 4.192 2.188 1.00 0.00 O ATOM 894 CB GLU 3 8 42.184 4.312 -0.193 1.00 0.00 C ATOM 895 CG GLU 3 8 43.659 4.322 -0.593 1.00 0.00 C ATOM 896 CD GLU 3 8 43.962 5.582 -1.407 1.00 0.00 C ATOM 897 OE1 GLU 3 8 44.482 5.446 -2.502 1.00 0.00 O ATOM 898 OE2 GLU 3 8 43.671 6.662 -0.920 1.00 0.00 O ATOM 0 H GLU 3 8 43.362 2.364 0.624 1.00 0.00 H new ATOM 0 HA GLU 3 8 42.284 4.766 1.933 1.00 0.00 H new ATOM 0 HB2 GLU 3 8 41.633 3.607 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU 3 8 41.745 5.296 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU 3 8 44.288 4.292 0.297 1.00 0.00 H new ATOM 0 HG3 GLU 3 8 43.893 3.433 -1.179 1.00 0.00 H new ATOM 905 N ARG 3 9 40.300 2.277 1.213 1.00 0.00 N ATOM 906 CA ARG 3 9 38.943 1.752 1.495 1.00 0.00 C ATOM 907 C ARG 3 9 38.749 1.618 3.011 1.00 0.00 C ATOM 908 O ARG 3 9 37.646 1.447 3.490 1.00 0.00 O ATOM 909 CB ARG 3 9 38.919 0.388 0.799 1.00 0.00 C ATOM 910 CG ARG 3 9 37.998 -0.577 1.546 1.00 0.00 C ATOM 911 CD ARG 3 9 36.565 -0.038 1.532 1.00 0.00 C ATOM 912 NE ARG 3 9 35.897 -0.692 2.692 1.00 0.00 N ATOM 913 CZ ARG 3 9 34.603 -0.863 2.687 1.00 0.00 C ATOM 914 NH1 ARG 3 9 34.090 -1.947 2.173 1.00 0.00 N ATOM 915 NH2 ARG 3 9 33.823 0.050 3.198 1.00 0.00 N ATOM 0 H ARG 3 9 40.916 1.635 0.714 1.00 0.00 H new ATOM 0 HA ARG 3 9 38.141 2.399 1.139 1.00 0.00 H new ATOM 0 HB2 ARG 3 9 38.577 0.504 -0.230 1.00 0.00 H new ATOM 0 HB3 ARG 3 9 39.928 -0.023 0.755 1.00 0.00 H new ATOM 0 HG2 ARG 3 9 38.031 -1.561 1.079 1.00 0.00 H new ATOM 0 HG3 ARG 3 9 38.341 -0.700 2.573 1.00 0.00 H new ATOM 0 HD2 ARG 3 9 36.550 1.048 1.629 1.00 0.00 H new ATOM 0 HD3 ARG 3 9 36.061 -0.282 0.597 1.00 0.00 H new ATOM 0 HE ARG 3 9 36.450 -1.006 3.489 1.00 0.00 H new ATOM 0 HH11 ARG 3 9 34.700 -2.661 1.775 1.00 0.00 H new ATOM 0 HH12 ARG 3 9 33.079 -2.080 2.169 1.00 0.00 H new ATOM 0 HH21 ARG 3 9 34.225 0.897 3.601 1.00 0.00 H new ATOM 0 HH22 ARG 3 9 32.812 -0.083 3.194 1.00 0.00 H new ATOM 929 N ARG 3 10 39.812 1.697 3.776 1.00 0.00 N ATOM 930 CA ARG 3 10 39.670 1.577 5.251 1.00 0.00 C ATOM 931 C ARG 3 10 38.883 2.770 5.794 1.00 0.00 C ATOM 932 O ARG 3 10 38.231 2.685 6.815 1.00 0.00 O ATOM 933 CB ARG 3 10 41.102 1.587 5.786 1.00 0.00 C ATOM 934 CG ARG 3 10 41.310 0.383 6.701 1.00 0.00 C ATOM 935 CD ARG 3 10 42.522 -0.418 6.222 1.00 0.00 C ATOM 936 NE ARG 3 10 43.115 -1.001 7.458 1.00 0.00 N ATOM 937 CZ ARG 3 10 42.339 -1.433 8.416 1.00 0.00 C ATOM 938 NH1 ARG 3 10 41.593 -2.487 8.227 1.00 0.00 N ATOM 939 NH2 ARG 3 10 42.309 -0.809 9.561 1.00 0.00 N ATOM 0 H ARG 3 10 40.764 1.839 3.440 1.00 0.00 H new ATOM 0 HA ARG 3 10 39.133 0.677 5.549 1.00 0.00 H new ATOM 0 HB2 ARG 3 10 41.811 1.556 4.959 1.00 0.00 H new ATOM 0 HB3 ARG 3 10 41.291 2.511 6.333 1.00 0.00 H new ATOM 0 HG2 ARG 3 10 41.463 0.715 7.728 1.00 0.00 H new ATOM 0 HG3 ARG 3 10 40.420 -0.247 6.699 1.00 0.00 H new ATOM 0 HD2 ARG 3 10 42.227 -1.198 5.521 1.00 0.00 H new ATOM 0 HD3 ARG 3 10 43.238 0.221 5.705 1.00 0.00 H new ATOM 0 HE ARG 3 10 44.128 -1.063 7.556 1.00 0.00 H new ATOM 0 HH11 ARG 3 10 41.616 -2.974 7.331 1.00 0.00 H new ATOM 0 HH12 ARG 3 10 40.987 -2.824 8.975 1.00 0.00 H new ATOM 0 HH21 ARG 3 10 42.891 0.016 9.708 1.00 0.00 H new ATOM 0 HH22 ARG 3 10 41.703 -1.146 10.310 1.00 0.00 H new ATOM 953 N ASP 3 11 38.938 3.880 5.112 1.00 0.00 N ATOM 954 CA ASP 3 11 38.191 5.082 5.578 1.00 0.00 C ATOM 955 C ASP 3 11 36.995 5.358 4.658 1.00 0.00 C ATOM 956 O ASP 3 11 36.335 6.370 4.778 1.00 0.00 O ATOM 957 CB ASP 3 11 39.201 6.228 5.502 1.00 0.00 C ATOM 958 CG ASP 3 11 39.831 6.448 6.879 1.00 0.00 C ATOM 959 OD1 ASP 3 11 39.524 7.455 7.494 1.00 0.00 O ATOM 960 OD2 ASP 3 11 40.610 5.605 7.293 1.00 0.00 O ATOM 0 H ASP 3 11 39.469 4.007 4.250 1.00 0.00 H new ATOM 0 HA ASP 3 11 37.792 4.954 6.584 1.00 0.00 H new ATOM 0 HB2 ASP 3 11 39.974 5.997 4.770 1.00 0.00 H new ATOM 0 HB3 ASP 3 11 38.707 7.140 5.167 1.00 0.00 H new ATOM 965 N LEU 3 12 36.706 4.470 3.740 1.00 0.00 N ATOM 966 CA LEU 3 12 35.551 4.700 2.826 1.00 0.00 C ATOM 967 C LEU 3 12 34.397 3.758 3.170 1.00 0.00 C ATOM 968 O LEU 3 12 34.597 2.702 3.738 1.00 0.00 O ATOM 969 CB LEU 3 12 36.067 4.383 1.424 1.00 0.00 C ATOM 970 CG LEU 3 12 37.001 5.493 0.946 1.00 0.00 C ATOM 971 CD1 LEU 3 12 37.769 5.013 -0.287 1.00 0.00 C ATOM 972 CD2 LEU 3 12 36.176 6.730 0.585 1.00 0.00 C ATOM 0 H LEU 3 12 37.218 3.601 3.586 1.00 0.00 H new ATOM 0 HA LEU 3 12 35.178 5.721 2.909 1.00 0.00 H new ATOM 0 HB2 LEU 3 12 36.595 3.430 1.429 1.00 0.00 H new ATOM 0 HB3 LEU 3 12 35.229 4.280 0.734 1.00 0.00 H new ATOM 0 HG LEU 3 12 37.706 5.745 1.738 1.00 0.00 H new ATOM 0 HD11 LEU 3 12 38.436 5.803 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU 3 12 38.354 4.130 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU 3 12 37.064 4.763 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU 3 12 36.841 7.524 0.244 1.00 0.00 H new ATOM 0 HD22 LEU 3 12 35.472 6.479 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU 3 12 35.626 7.070 1.463 1.00 0.00 H new ATOM 984 N PRO 3 13 33.225 4.178 2.792 1.00 0.00 N ATOM 985 CA PRO 3 13 32.006 3.378 3.031 1.00 0.00 C ATOM 986 C PRO 3 13 31.867 2.345 1.916 1.00 0.00 C ATOM 987 O PRO 3 13 32.636 2.350 0.976 1.00 0.00 O ATOM 988 CB PRO 3 13 30.886 4.404 2.922 1.00 0.00 C ATOM 989 CG PRO 3 13 31.426 5.477 2.029 1.00 0.00 C ATOM 990 CD PRO 3 13 32.931 5.438 2.112 1.00 0.00 C ATOM 0 HA PRO 3 13 32.008 2.846 3.983 1.00 0.00 H new ATOM 0 HB2 PRO 3 13 29.983 3.959 2.503 1.00 0.00 H new ATOM 0 HB3 PRO 3 13 30.620 4.803 3.901 1.00 0.00 H new ATOM 0 HG2 PRO 3 13 31.097 5.320 1.002 1.00 0.00 H new ATOM 0 HG3 PRO 3 13 31.052 6.453 2.337 1.00 0.00 H new ATOM 0 HD2 PRO 3 13 33.385 5.470 1.121 1.00 0.00 H new ATOM 0 HD3 PRO 3 13 33.321 6.290 2.669 1.00 0.00 H new ATOM 998 N PRO 3 14 30.877 1.507 2.032 1.00 0.00 N ATOM 999 CA PRO 3 14 30.643 0.494 0.984 1.00 0.00 C ATOM 1000 C PRO 3 14 30.124 1.178 -0.286 1.00 0.00 C ATOM 1001 O PRO 3 14 29.386 2.140 -0.223 1.00 0.00 O ATOM 1002 CB PRO 3 14 29.588 -0.424 1.598 1.00 0.00 C ATOM 1003 CG PRO 3 14 28.886 0.422 2.612 1.00 0.00 C ATOM 1004 CD PRO 3 14 29.898 1.415 3.123 1.00 0.00 C ATOM 0 HA PRO 3 14 31.539 -0.053 0.692 1.00 0.00 H new ATOM 0 HB2 PRO 3 14 28.895 -0.791 0.841 1.00 0.00 H new ATOM 0 HB3 PRO 3 14 30.046 -1.298 2.061 1.00 0.00 H new ATOM 0 HG2 PRO 3 14 28.033 0.933 2.166 1.00 0.00 H new ATOM 0 HG3 PRO 3 14 28.500 -0.191 3.426 1.00 0.00 H new ATOM 0 HD2 PRO 3 14 29.440 2.382 3.333 1.00 0.00 H new ATOM 0 HD3 PRO 3 14 30.361 1.074 4.049 1.00 0.00 H new ATOM 1012 N ASN 3 15 30.522 0.684 -1.430 1.00 0.00 N ATOM 1013 CA ASN 3 15 30.084 1.275 -2.739 1.00 0.00 C ATOM 1014 C ASN 3 15 30.783 2.615 -3.002 1.00 0.00 C ATOM 1015 O ASN 3 15 30.291 3.444 -3.741 1.00 0.00 O ATOM 1016 CB ASN 3 15 28.564 1.460 -2.643 1.00 0.00 C ATOM 1017 CG ASN 3 15 27.937 0.246 -1.952 1.00 0.00 C ATOM 1018 OD1 ASN 3 15 28.488 -0.836 -1.980 1.00 0.00 O ATOM 1019 ND2 ASN 3 15 26.797 0.382 -1.330 1.00 0.00 N ATOM 0 H ASN 3 15 31.144 -0.120 -1.518 1.00 0.00 H new ATOM 0 HA ASN 3 15 30.349 0.621 -3.570 1.00 0.00 H new ATOM 0 HB2 ASN 3 15 28.333 2.367 -2.085 1.00 0.00 H new ATOM 0 HB3 ASN 3 15 28.140 1.582 -3.639 1.00 0.00 H new ATOM 0 HD21 ASN 3 15 26.369 -0.420 -0.868 1.00 0.00 H new ATOM 0 HD22 ASN 3 15 26.334 1.291 -1.306 1.00 0.00 H new ATOM 1026 N LEU 3 16 31.937 2.825 -2.425 1.00 0.00 N ATOM 1027 CA LEU 3 16 32.674 4.102 -2.670 1.00 0.00 C ATOM 1028 C LEU 3 16 34.184 3.854 -2.619 1.00 0.00 C ATOM 1029 O LEU 3 16 34.703 3.314 -1.662 1.00 0.00 O ATOM 1030 CB LEU 3 16 32.253 5.051 -1.549 1.00 0.00 C ATOM 1031 CG LEU 3 16 33.159 6.286 -1.570 1.00 0.00 C ATOM 1032 CD1 LEU 3 16 33.246 6.837 -2.995 1.00 0.00 C ATOM 1033 CD2 LEU 3 16 32.581 7.362 -0.653 1.00 0.00 C ATOM 0 H LEU 3 16 32.401 2.170 -1.796 1.00 0.00 H new ATOM 0 HA LEU 3 16 32.445 4.518 -3.651 1.00 0.00 H new ATOM 0 HB2 LEU 3 16 31.212 5.346 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU 3 16 32.325 4.549 -0.584 1.00 0.00 H new ATOM 0 HG LEU 3 16 34.154 6.005 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU 3 16 33.891 7.715 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU 3 16 33.659 6.075 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU 3 16 32.250 7.114 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU 3 16 33.227 8.240 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU 3 16 31.585 7.638 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU 3 16 32.518 6.977 0.365 1.00 0.00 H new ATOM 1045 N TYR 3 17 34.891 4.239 -3.645 1.00 0.00 N ATOM 1046 CA TYR 3 17 36.367 4.021 -3.665 1.00 0.00 C ATOM 1047 C TYR 3 17 37.087 5.285 -4.141 1.00 0.00 C ATOM 1048 O TYR 3 17 36.501 6.145 -4.768 1.00 0.00 O ATOM 1049 CB TYR 3 17 36.592 2.881 -4.655 1.00 0.00 C ATOM 1050 CG TYR 3 17 35.574 1.795 -4.417 1.00 0.00 C ATOM 1051 CD1 TYR 3 17 35.693 0.960 -3.301 1.00 0.00 C ATOM 1052 CD2 TYR 3 17 34.513 1.620 -5.313 1.00 0.00 C ATOM 1053 CE1 TYR 3 17 34.752 -0.050 -3.079 1.00 0.00 C ATOM 1054 CE2 TYR 3 17 33.570 0.609 -5.091 1.00 0.00 C ATOM 1055 CZ TYR 3 17 33.690 -0.226 -3.975 1.00 0.00 C ATOM 1056 OH TYR 3 17 32.762 -1.224 -3.757 1.00 0.00 O ATOM 0 H TYR 3 17 34.510 4.697 -4.473 1.00 0.00 H new ATOM 0 HA TYR 3 17 36.756 3.785 -2.674 1.00 0.00 H new ATOM 0 HB2 TYR 3 17 36.510 3.252 -5.677 1.00 0.00 H new ATOM 0 HB3 TYR 3 17 37.599 2.480 -4.541 1.00 0.00 H new ATOM 0 HD1 TYR 3 17 36.512 1.096 -2.610 1.00 0.00 H new ATOM 0 HD2 TYR 3 17 34.422 2.264 -6.175 1.00 0.00 H new ATOM 0 HE1 TYR 3 17 34.844 -0.694 -2.217 1.00 0.00 H new ATOM 0 HE2 TYR 3 17 32.750 0.474 -5.781 1.00 0.00 H new ATOM 0 HH TYR 3 17 32.091 -1.209 -4.471 1.00 0.00 H new ATOM 1066 N ILE 3 18 38.355 5.401 -3.852 1.00 0.00 N ATOM 1067 CA ILE 3 18 39.107 6.610 -4.294 1.00 0.00 C ATOM 1068 C ILE 3 18 40.002 6.261 -5.488 1.00 0.00 C ATOM 1069 O ILE 3 18 40.609 5.210 -5.540 1.00 0.00 O ATOM 1070 CB ILE 3 18 39.953 7.018 -3.085 1.00 0.00 C ATOM 1071 CG1 ILE 3 18 40.024 8.547 -3.007 1.00 0.00 C ATOM 1072 CG2 ILE 3 18 41.370 6.445 -3.219 1.00 0.00 C ATOM 1073 CD1 ILE 3 18 40.923 9.079 -4.123 1.00 0.00 C ATOM 0 H ILE 3 18 38.901 4.714 -3.331 1.00 0.00 H new ATOM 0 HA ILE 3 18 38.447 7.416 -4.615 1.00 0.00 H new ATOM 0 HB ILE 3 18 39.495 6.625 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE 3 18 39.024 8.972 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE 3 18 40.413 8.853 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE 3 18 41.965 6.740 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE 3 18 41.319 5.357 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE 3 18 41.834 6.830 -4.127 1.00 0.00 H new ATOM 0 HD11 ILE 3 18 40.971 10.166 -4.064 1.00 0.00 H new ATOM 0 HD12 ILE 3 18 41.925 8.665 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE 3 18 40.515 8.786 -5.090 1.00 0.00 H new ATOM 1085 N ARG 3 19 40.084 7.144 -6.444 1.00 0.00 N ATOM 1086 CA ARG 3 19 40.929 6.894 -7.639 1.00 0.00 C ATOM 1087 C ARG 3 19 42.343 7.368 -7.357 1.00 0.00 C ATOM 1088 O ARG 3 19 42.679 7.720 -6.245 1.00 0.00 O ATOM 1089 CB ARG 3 19 40.293 7.719 -8.760 1.00 0.00 C ATOM 1090 CG ARG 3 19 38.828 7.310 -8.931 1.00 0.00 C ATOM 1091 CD ARG 3 19 38.569 6.934 -10.393 1.00 0.00 C ATOM 1092 NE ARG 3 19 38.493 5.446 -10.403 1.00 0.00 N ATOM 1093 CZ ARG 3 19 39.420 4.743 -9.812 1.00 0.00 C ATOM 1094 NH1 ARG 3 19 40.676 4.947 -10.103 1.00 0.00 N ATOM 1095 NH2 ARG 3 19 39.093 3.841 -8.928 1.00 0.00 N ATOM 0 H ARG 3 19 39.594 8.039 -6.446 1.00 0.00 H new ATOM 0 HA ARG 3 19 40.984 5.839 -7.906 1.00 0.00 H new ATOM 0 HB2 ARG 3 19 40.359 8.781 -8.526 1.00 0.00 H new ATOM 0 HB3 ARG 3 19 40.836 7.564 -9.692 1.00 0.00 H new ATOM 0 HG2 ARG 3 19 38.597 6.466 -8.281 1.00 0.00 H new ATOM 0 HG3 ARG 3 19 38.174 8.130 -8.634 1.00 0.00 H new ATOM 0 HD2 ARG 3 19 37.642 7.379 -10.756 1.00 0.00 H new ATOM 0 HD3 ARG 3 19 39.370 7.292 -11.040 1.00 0.00 H new ATOM 0 HE ARG 3 19 37.717 4.977 -10.871 1.00 0.00 H new ATOM 0 HH11 ARG 3 19 40.932 5.655 -10.791 1.00 0.00 H new ATOM 0 HH12 ARG 3 19 41.402 4.398 -9.642 1.00 0.00 H new ATOM 0 HH21 ARG 3 19 38.112 3.685 -8.698 1.00 0.00 H new ATOM 0 HH22 ARG 3 19 39.819 3.292 -8.467 1.00 0.00 H new ATOM 1109 N ASN 3 20 43.179 7.381 -8.341 1.00 0.00 N ATOM 1110 CA ASN 3 20 44.563 7.835 -8.095 1.00 0.00 C ATOM 1111 C ASN 3 20 44.619 9.366 -8.126 1.00 0.00 C ATOM 1112 O ASN 3 20 45.532 9.974 -7.604 1.00 0.00 O ATOM 1113 CB ASN 3 20 45.383 7.233 -9.236 1.00 0.00 C ATOM 1114 CG ASN 3 20 45.149 5.722 -9.298 1.00 0.00 C ATOM 1115 OD1 ASN 3 20 45.206 5.044 -8.291 1.00 0.00 O ATOM 1116 ND2 ASN 3 20 44.887 5.160 -10.449 1.00 0.00 N ATOM 0 H ASN 3 20 42.969 7.100 -9.299 1.00 0.00 H new ATOM 0 HA ASN 3 20 44.943 7.524 -7.122 1.00 0.00 H new ATOM 0 HB2 ASN 3 20 45.100 7.694 -10.182 1.00 0.00 H new ATOM 0 HB3 ASN 3 20 46.442 7.441 -9.084 1.00 0.00 H new ATOM 0 HD21 ASN 3 20 44.731 4.153 -10.501 1.00 0.00 H new ATOM 0 HD22 ASN 3 20 44.839 5.728 -11.295 1.00 0.00 H new ATOM 1123 N ASN 3 21 43.642 9.993 -8.726 1.00 0.00 N ATOM 1124 CA ASN 3 21 43.632 11.484 -8.781 1.00 0.00 C ATOM 1125 C ASN 3 21 43.044 12.080 -7.495 1.00 0.00 C ATOM 1126 O ASN 3 21 42.758 13.259 -7.428 1.00 0.00 O ATOM 1127 CB ASN 3 21 42.758 11.831 -9.986 1.00 0.00 C ATOM 1128 CG ASN 3 21 43.173 10.974 -11.184 1.00 0.00 C ATOM 1129 OD1 ASN 3 21 44.347 10.775 -11.425 1.00 0.00 O ATOM 1130 ND2 ASN 3 21 42.253 10.455 -11.950 1.00 0.00 N ATOM 0 H ASN 3 21 42.851 9.537 -9.180 1.00 0.00 H new ATOM 0 HA ASN 3 21 44.639 11.892 -8.873 1.00 0.00 H new ATOM 0 HB2 ASN 3 21 41.708 11.658 -9.749 1.00 0.00 H new ATOM 0 HB3 ASN 3 21 42.860 12.889 -10.230 1.00 0.00 H new ATOM 0 HD21 ASN 3 21 42.520 9.882 -12.751 1.00 0.00 H new ATOM 0 HD22 ASN 3 21 41.267 10.622 -11.748 1.00 0.00 H new ATOM 1137 N GLY 3 22 42.859 11.286 -6.475 1.00 0.00 N ATOM 1138 CA GLY 3 22 42.289 11.826 -5.208 1.00 0.00 C ATOM 1139 C GLY 3 22 40.788 12.085 -5.383 1.00 0.00 C ATOM 1140 O GLY 3 22 40.185 12.828 -4.634 1.00 0.00 O ATOM 0 H GLY 3 22 43.077 10.290 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY 3 22 42.453 11.119 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY 3 22 42.798 12.751 -4.935 1.00 0.00 H new ATOM 1144 N TYR 3 23 40.179 11.467 -6.361 1.00 0.00 N ATOM 1145 CA TYR 3 23 38.716 11.664 -6.582 1.00 0.00 C ATOM 1146 C TYR 3 23 37.944 10.411 -6.142 1.00 0.00 C ATOM 1147 O TYR 3 23 38.306 9.303 -6.482 1.00 0.00 O ATOM 1148 CB TYR 3 23 38.577 11.877 -8.089 1.00 0.00 C ATOM 1149 CG TYR 3 23 37.591 12.987 -8.359 1.00 0.00 C ATOM 1150 CD1 TYR 3 23 38.036 14.204 -8.887 1.00 0.00 C ATOM 1151 CD2 TYR 3 23 36.230 12.796 -8.090 1.00 0.00 C ATOM 1152 CE1 TYR 3 23 37.122 15.231 -9.146 1.00 0.00 C ATOM 1153 CE2 TYR 3 23 35.315 13.823 -8.348 1.00 0.00 C ATOM 1154 CZ TYR 3 23 35.761 15.040 -8.877 1.00 0.00 C ATOM 1155 OH TYR 3 23 34.858 16.052 -9.132 1.00 0.00 O ATOM 0 H TYR 3 23 40.633 10.833 -7.018 1.00 0.00 H new ATOM 0 HA TYR 3 23 38.315 12.501 -6.011 1.00 0.00 H new ATOM 0 HB2 TYR 3 23 39.546 12.126 -8.521 1.00 0.00 H new ATOM 0 HB3 TYR 3 23 38.242 10.956 -8.566 1.00 0.00 H new ATOM 0 HD1 TYR 3 23 39.086 14.351 -9.095 1.00 0.00 H new ATOM 0 HD2 TYR 3 23 35.887 11.856 -7.683 1.00 0.00 H new ATOM 0 HE1 TYR 3 23 37.466 16.170 -9.553 1.00 0.00 H new ATOM 0 HE2 TYR 3 23 34.266 13.677 -8.139 1.00 0.00 H new ATOM 0 HH TYR 3 23 33.956 15.754 -8.890 1.00 0.00 H new ATOM 1165 N TYR 3 24 36.883 10.573 -5.397 1.00 0.00 N ATOM 1166 CA TYR 3 24 36.097 9.385 -4.951 1.00 0.00 C ATOM 1167 C TYR 3 24 35.018 9.044 -5.986 1.00 0.00 C ATOM 1168 O TYR 3 24 34.647 9.867 -6.799 1.00 0.00 O ATOM 1169 CB TYR 3 24 35.463 9.815 -3.629 1.00 0.00 C ATOM 1170 CG TYR 3 24 36.513 9.798 -2.544 1.00 0.00 C ATOM 1171 CD1 TYR 3 24 37.082 10.999 -2.103 1.00 0.00 C ATOM 1172 CD2 TYR 3 24 36.922 8.582 -1.985 1.00 0.00 C ATOM 1173 CE1 TYR 3 24 38.061 10.983 -1.102 1.00 0.00 C ATOM 1174 CE2 TYR 3 24 37.900 8.567 -0.984 1.00 0.00 C ATOM 1175 CZ TYR 3 24 38.469 9.767 -0.543 1.00 0.00 C ATOM 1176 OH TYR 3 24 39.436 9.750 0.442 1.00 0.00 O ATOM 0 H TYR 3 24 36.527 11.474 -5.078 1.00 0.00 H new ATOM 0 HA TYR 3 24 36.714 8.494 -4.838 1.00 0.00 H new ATOM 0 HB2 TYR 3 24 35.038 10.814 -3.724 1.00 0.00 H new ATOM 0 HB3 TYR 3 24 34.644 9.144 -3.370 1.00 0.00 H new ATOM 0 HD1 TYR 3 24 36.766 11.937 -2.535 1.00 0.00 H new ATOM 0 HD2 TYR 3 24 36.483 7.656 -2.326 1.00 0.00 H new ATOM 0 HE1 TYR 3 24 38.501 11.909 -0.762 1.00 0.00 H new ATOM 0 HE2 TYR 3 24 38.216 7.629 -0.552 1.00 0.00 H new ATOM 0 HH TYR 3 24 39.602 8.826 0.722 1.00 0.00 H new ATOM 1186 N CYS 3 25 34.515 7.836 -5.969 1.00 0.00 N ATOM 1187 CA CYS 3 25 33.464 7.451 -6.961 1.00 0.00 C ATOM 1188 C CYS 3 25 32.489 6.437 -6.347 1.00 0.00 C ATOM 1189 O CYS 3 25 32.859 5.631 -5.517 1.00 0.00 O ATOM 1190 CB CYS 3 25 34.229 6.813 -8.123 1.00 0.00 C ATOM 1191 SG CYS 3 25 35.311 8.045 -8.889 1.00 0.00 S ATOM 0 H CYS 3 25 34.785 7.102 -5.314 1.00 0.00 H new ATOM 0 HA CYS 3 25 32.871 8.308 -7.279 1.00 0.00 H new ATOM 0 HB2 CYS 3 25 34.819 5.970 -7.764 1.00 0.00 H new ATOM 0 HB3 CYS 3 25 33.529 6.421 -8.861 1.00 0.00 H new ATOM 0 HG CYS 3 25 35.104 9.205 -8.340 1.00 0.00 H new ATOM 1197 N TYR 3 26 31.244 6.475 -6.750 1.00 0.00 N ATOM 1198 CA TYR 3 26 30.241 5.517 -6.189 1.00 0.00 C ATOM 1199 C TYR 3 26 29.920 4.410 -7.204 1.00 0.00 C ATOM 1200 O TYR 3 26 29.437 4.670 -8.288 1.00 0.00 O ATOM 1201 CB TYR 3 26 29.000 6.368 -5.914 1.00 0.00 C ATOM 1202 CG TYR 3 26 27.869 5.486 -5.438 1.00 0.00 C ATOM 1203 CD1 TYR 3 26 26.866 5.093 -6.332 1.00 0.00 C ATOM 1204 CD2 TYR 3 26 27.819 5.067 -4.102 1.00 0.00 C ATOM 1205 CE1 TYR 3 26 25.812 4.283 -5.891 1.00 0.00 C ATOM 1206 CE2 TYR 3 26 26.766 4.256 -3.662 1.00 0.00 C ATOM 1207 CZ TYR 3 26 25.762 3.865 -4.556 1.00 0.00 C ATOM 1208 OH TYR 3 26 24.723 3.068 -4.122 1.00 0.00 O ATOM 0 H TYR 3 26 30.878 7.128 -7.443 1.00 0.00 H new ATOM 0 HA TYR 3 26 30.608 5.018 -5.292 1.00 0.00 H new ATOM 0 HB2 TYR 3 26 29.226 7.124 -5.161 1.00 0.00 H new ATOM 0 HB3 TYR 3 26 28.704 6.898 -6.819 1.00 0.00 H new ATOM 0 HD1 TYR 3 26 26.905 5.415 -7.362 1.00 0.00 H new ATOM 0 HD2 TYR 3 26 28.593 5.370 -3.412 1.00 0.00 H new ATOM 0 HE1 TYR 3 26 25.038 3.981 -6.581 1.00 0.00 H new ATOM 0 HE2 TYR 3 26 26.728 3.932 -2.632 1.00 0.00 H new ATOM 0 HH TYR 3 26 24.405 2.512 -4.864 1.00 0.00 H new ATOM 1218 N ARG 3 27 30.187 3.178 -6.859 1.00 0.00 N ATOM 1219 CA ARG 3 27 29.899 2.053 -7.801 1.00 0.00 C ATOM 1220 C ARG 3 27 28.462 1.548 -7.624 1.00 0.00 C ATOM 1221 O ARG 3 27 28.042 1.216 -6.533 1.00 0.00 O ATOM 1222 CB ARG 3 27 30.899 0.960 -7.426 1.00 0.00 C ATOM 1223 CG ARG 3 27 30.728 -0.232 -8.368 1.00 0.00 C ATOM 1224 CD ARG 3 27 30.905 -1.532 -7.582 1.00 0.00 C ATOM 1225 NE ARG 3 27 29.520 -1.993 -7.290 1.00 0.00 N ATOM 1226 CZ ARG 3 27 29.108 -2.081 -6.055 1.00 0.00 C ATOM 1227 NH1 ARG 3 27 28.831 -0.999 -5.380 1.00 0.00 N ATOM 1228 NH2 ARG 3 27 28.973 -3.251 -5.494 1.00 0.00 N ATOM 0 H ARG 3 27 30.592 2.901 -5.965 1.00 0.00 H new ATOM 0 HA ARG 3 27 29.994 2.360 -8.843 1.00 0.00 H new ATOM 0 HB2 ARG 3 27 31.917 1.345 -7.491 1.00 0.00 H new ATOM 0 HB3 ARG 3 27 30.742 0.647 -6.394 1.00 0.00 H new ATOM 0 HG2 ARG 3 27 29.741 -0.205 -8.830 1.00 0.00 H new ATOM 0 HG3 ARG 3 27 31.459 -0.180 -9.175 1.00 0.00 H new ATOM 0 HD2 ARG 3 27 31.454 -2.273 -8.162 1.00 0.00 H new ATOM 0 HD3 ARG 3 27 31.468 -1.365 -6.664 1.00 0.00 H new ATOM 0 HE ARG 3 27 28.893 -2.240 -8.056 1.00 0.00 H new ATOM 0 HH11 ARG 3 27 28.936 -0.084 -5.818 1.00 0.00 H new ATOM 0 HH12 ARG 3 27 28.509 -1.069 -4.415 1.00 0.00 H new ATOM 0 HH21 ARG 3 27 29.190 -4.097 -6.021 1.00 0.00 H new ATOM 0 HH22 ARG 3 27 28.651 -3.320 -4.529 1.00 0.00 H new ATOM 1242 N ASP 3 28 27.707 1.478 -8.690 1.00 0.00 N ATOM 1243 CA ASP 3 28 26.303 0.984 -8.577 1.00 0.00 C ATOM 1244 C ASP 3 28 26.285 -0.551 -8.564 1.00 0.00 C ATOM 1245 O ASP 3 28 27.053 -1.182 -9.262 1.00 0.00 O ATOM 1246 CB ASP 3 28 25.591 1.519 -9.820 1.00 0.00 C ATOM 1247 CG ASP 3 28 25.546 3.047 -9.765 1.00 0.00 C ATOM 1248 OD1 ASP 3 28 26.352 3.618 -9.049 1.00 0.00 O ATOM 1249 OD2 ASP 3 28 24.707 3.620 -10.441 1.00 0.00 O ATOM 0 H ASP 3 28 28.001 1.741 -9.631 1.00 0.00 H new ATOM 0 HA ASP 3 28 25.820 1.317 -7.659 1.00 0.00 H new ATOM 0 HB2 ASP 3 28 26.113 1.192 -10.720 1.00 0.00 H new ATOM 0 HB3 ASP 3 28 24.579 1.117 -9.874 1.00 0.00 H new ATOM 1254 N PRO 3 29 25.404 -1.102 -7.771 1.00 0.00 N ATOM 1255 CA PRO 3 29 25.288 -2.577 -7.674 1.00 0.00 C ATOM 1256 C PRO 3 29 24.536 -3.150 -8.882 1.00 0.00 C ATOM 1257 O PRO 3 29 24.416 -4.349 -9.034 1.00 0.00 O ATOM 1258 CB PRO 3 29 24.484 -2.789 -6.397 1.00 0.00 C ATOM 1259 CG PRO 3 29 23.696 -1.529 -6.212 1.00 0.00 C ATOM 1260 CD PRO 3 29 24.447 -0.414 -6.898 1.00 0.00 C ATOM 0 HA PRO 3 29 26.258 -3.075 -7.659 1.00 0.00 H new ATOM 0 HB2 PRO 3 29 23.827 -3.654 -6.485 1.00 0.00 H new ATOM 0 HB3 PRO 3 29 25.139 -2.972 -5.545 1.00 0.00 H new ATOM 0 HG2 PRO 3 29 22.698 -1.636 -6.637 1.00 0.00 H new ATOM 0 HG3 PRO 3 29 23.569 -1.309 -5.152 1.00 0.00 H new ATOM 0 HD2 PRO 3 29 23.774 0.224 -7.471 1.00 0.00 H new ATOM 0 HD3 PRO 3 29 24.956 0.225 -6.176 1.00 0.00 H new ATOM 1268 N ARG 3 30 24.023 -2.308 -9.736 1.00 0.00 N ATOM 1269 CA ARG 3 30 23.277 -2.804 -10.919 1.00 0.00 C ATOM 1270 C ARG 3 30 24.253 -3.197 -12.021 1.00 0.00 C ATOM 1271 O ARG 3 30 24.052 -4.165 -12.727 1.00 0.00 O ATOM 1272 CB ARG 3 30 22.402 -1.629 -11.356 1.00 0.00 C ATOM 1273 CG ARG 3 30 21.113 -1.612 -10.527 1.00 0.00 C ATOM 1274 CD ARG 3 30 21.454 -1.683 -9.034 1.00 0.00 C ATOM 1275 NE ARG 3 30 20.229 -1.202 -8.339 1.00 0.00 N ATOM 1276 CZ ARG 3 30 19.766 -1.851 -7.306 1.00 0.00 C ATOM 1277 NH1 ARG 3 30 19.333 -3.074 -7.446 1.00 0.00 N ATOM 1278 NH2 ARG 3 30 19.737 -1.279 -6.134 1.00 0.00 N ATOM 0 H ARG 3 30 24.091 -1.293 -9.662 1.00 0.00 H new ATOM 0 HA ARG 3 30 22.679 -3.688 -10.697 1.00 0.00 H new ATOM 0 HB2 ARG 3 30 22.943 -0.692 -11.226 1.00 0.00 H new ATOM 0 HB3 ARG 3 30 22.163 -1.715 -12.416 1.00 0.00 H new ATOM 0 HG2 ARG 3 30 20.547 -0.705 -10.737 1.00 0.00 H new ATOM 0 HG3 ARG 3 30 20.480 -2.455 -10.805 1.00 0.00 H new ATOM 0 HD2 ARG 3 30 21.705 -2.700 -8.734 1.00 0.00 H new ATOM 0 HD3 ARG 3 30 22.315 -1.059 -8.795 1.00 0.00 H new ATOM 0 HE ARG 3 30 19.751 -0.364 -8.671 1.00 0.00 H new ATOM 0 HH11 ARG 3 30 19.357 -3.522 -8.362 1.00 0.00 H new ATOM 0 HH12 ARG 3 30 18.971 -3.582 -6.639 1.00 0.00 H new ATOM 0 HH21 ARG 3 30 20.076 -0.323 -6.024 1.00 0.00 H new ATOM 0 HH22 ARG 3 30 19.375 -1.787 -5.327 1.00 0.00 H new ATOM 1292 N THR 3 31 25.308 -2.446 -12.184 1.00 0.00 N ATOM 1293 CA THR 3 31 26.280 -2.784 -13.256 1.00 0.00 C ATOM 1294 C THR 3 31 27.732 -2.728 -12.755 1.00 0.00 C ATOM 1295 O THR 3 31 28.627 -3.254 -13.387 1.00 0.00 O ATOM 1296 CB THR 3 31 26.048 -1.738 -14.346 1.00 0.00 C ATOM 1297 OG1 THR 3 31 26.752 -0.549 -14.016 1.00 0.00 O ATOM 1298 CG2 THR 3 31 24.552 -1.436 -14.454 1.00 0.00 C ATOM 0 H THR 3 31 25.535 -1.622 -11.627 1.00 0.00 H new ATOM 0 HA THR 3 31 26.131 -3.802 -13.615 1.00 0.00 H new ATOM 0 HB THR 3 31 26.409 -2.120 -15.301 1.00 0.00 H new ATOM 0 HG1 THR 3 31 26.494 0.166 -14.634 1.00 0.00 H new ATOM 0 HG21 THR 3 31 24.387 -0.690 -15.231 1.00 0.00 H new ATOM 0 HG22 THR 3 31 24.014 -2.349 -14.707 1.00 0.00 H new ATOM 0 HG23 THR 3 31 24.188 -1.053 -13.500 1.00 0.00 H new ATOM 1306 N GLY 3 32 27.983 -2.108 -11.634 1.00 0.00 N ATOM 1307 CA GLY 3 32 29.383 -2.044 -11.123 1.00 0.00 C ATOM 1308 C GLY 3 32 30.098 -0.799 -11.668 1.00 0.00 C ATOM 1309 O GLY 3 32 31.230 -0.529 -11.318 1.00 0.00 O ATOM 0 H GLY 3 32 27.284 -1.645 -11.053 1.00 0.00 H new ATOM 0 HA2 GLY 3 32 29.378 -2.020 -10.033 1.00 0.00 H new ATOM 0 HA3 GLY 3 32 29.926 -2.941 -11.419 1.00 0.00 H new ATOM 1313 N LYS 3 33 29.454 -0.030 -12.506 1.00 0.00 N ATOM 1314 CA LYS 3 33 30.114 1.196 -13.042 1.00 0.00 C ATOM 1315 C LYS 3 33 29.978 2.321 -12.017 1.00 0.00 C ATOM 1316 O LYS 3 33 29.408 2.118 -10.963 1.00 0.00 O ATOM 1317 CB LYS 3 33 29.398 1.507 -14.354 1.00 0.00 C ATOM 1318 CG LYS 3 33 30.350 1.200 -15.497 1.00 0.00 C ATOM 1319 CD LYS 3 33 30.897 -0.213 -15.325 1.00 0.00 C ATOM 1320 CE LYS 3 33 30.689 -0.971 -16.625 1.00 0.00 C ATOM 1321 NZ LYS 3 33 30.580 -2.404 -16.232 1.00 0.00 N ATOM 0 H LYS 3 33 28.505 -0.197 -12.841 1.00 0.00 H new ATOM 0 HA LYS 3 33 31.181 1.070 -13.224 1.00 0.00 H new ATOM 0 HB2 LYS 3 33 28.491 0.909 -14.443 1.00 0.00 H new ATOM 0 HB3 LYS 3 33 29.094 2.553 -14.383 1.00 0.00 H new ATOM 0 HG2 LYS 3 33 29.832 1.289 -16.452 1.00 0.00 H new ATOM 0 HG3 LYS 3 33 31.168 1.921 -15.509 1.00 0.00 H new ATOM 0 HD2 LYS 3 33 31.956 -0.181 -15.070 1.00 0.00 H new ATOM 0 HD3 LYS 3 33 30.387 -0.719 -14.505 1.00 0.00 H new ATOM 0 HE2 LYS 3 33 29.788 -0.634 -17.137 1.00 0.00 H new ATOM 0 HE3 LYS 3 33 31.522 -0.813 -17.310 1.00 0.00 H new ATOM 0 HZ1 LYS 3 33 30.435 -2.987 -17.081 1.00 0.00 H new ATOM 0 HZ2 LYS 3 33 31.455 -2.700 -15.754 1.00 0.00 H new ATOM 0 HZ3 LYS 3 33 29.774 -2.527 -15.586 1.00 0.00 H new ATOM 1335 N GLU 3 34 30.512 3.493 -12.260 1.00 0.00 N ATOM 1336 CA GLU 3 34 30.384 4.537 -11.197 1.00 0.00 C ATOM 1337 C GLU 3 34 30.464 5.959 -11.742 1.00 0.00 C ATOM 1338 O GLU 3 34 30.630 6.190 -12.923 1.00 0.00 O ATOM 1339 CB GLU 3 34 31.563 4.278 -10.259 1.00 0.00 C ATOM 1340 CG GLU 3 34 32.588 3.383 -10.958 1.00 0.00 C ATOM 1341 CD GLU 3 34 33.891 3.377 -10.156 1.00 0.00 C ATOM 1342 OE1 GLU 3 34 33.991 2.589 -9.231 1.00 0.00 O ATOM 1343 OE2 GLU 3 34 34.768 4.161 -10.482 1.00 0.00 O ATOM 0 H GLU 3 34 31.009 3.765 -13.108 1.00 0.00 H new ATOM 0 HA GLU 3 34 29.411 4.468 -10.711 1.00 0.00 H new ATOM 0 HB2 GLU 3 34 32.026 5.222 -9.971 1.00 0.00 H new ATOM 0 HB3 GLU 3 34 31.214 3.802 -9.343 1.00 0.00 H new ATOM 0 HG2 GLU 3 34 32.199 2.369 -11.048 1.00 0.00 H new ATOM 0 HG3 GLU 3 34 32.773 3.745 -11.969 1.00 0.00 H new ATOM 1350 N PHE 3 35 30.357 6.911 -10.851 1.00 0.00 N ATOM 1351 CA PHE 3 35 30.432 8.343 -11.240 1.00 0.00 C ATOM 1352 C PHE 3 35 31.321 9.089 -10.237 1.00 0.00 C ATOM 1353 O PHE 3 35 31.516 8.640 -9.124 1.00 0.00 O ATOM 1354 CB PHE 3 35 28.993 8.855 -11.154 1.00 0.00 C ATOM 1355 CG PHE 3 35 28.098 7.992 -12.006 1.00 0.00 C ATOM 1356 CD1 PHE 3 35 26.898 7.493 -11.485 1.00 0.00 C ATOM 1357 CD2 PHE 3 35 28.471 7.690 -13.318 1.00 0.00 C ATOM 1358 CE1 PHE 3 35 26.070 6.692 -12.281 1.00 0.00 C ATOM 1359 CE2 PHE 3 35 27.647 6.891 -14.113 1.00 0.00 C ATOM 1360 CZ PHE 3 35 26.445 6.391 -13.596 1.00 0.00 C ATOM 0 H PHE 3 35 30.218 6.749 -9.854 1.00 0.00 H new ATOM 0 HA PHE 3 35 30.853 8.489 -12.235 1.00 0.00 H new ATOM 0 HB2 PHE 3 35 28.652 8.840 -10.119 1.00 0.00 H new ATOM 0 HB3 PHE 3 35 28.944 9.891 -11.490 1.00 0.00 H new ATOM 0 HD1 PHE 3 35 26.611 7.726 -10.470 1.00 0.00 H new ATOM 0 HD2 PHE 3 35 29.398 8.075 -13.718 1.00 0.00 H new ATOM 0 HE1 PHE 3 35 25.144 6.307 -11.881 1.00 0.00 H new ATOM 0 HE2 PHE 3 35 27.937 6.658 -15.127 1.00 0.00 H new ATOM 0 HZ PHE 3 35 25.808 5.773 -14.212 1.00 0.00 H new ATOM 1370 N GLY 3 36 31.863 10.215 -10.612 1.00 0.00 N ATOM 1371 CA GLY 3 36 32.739 10.966 -9.666 1.00 0.00 C ATOM 1372 C GLY 3 36 31.895 11.599 -8.554 1.00 0.00 C ATOM 1373 O GLY 3 36 30.933 12.296 -8.811 1.00 0.00 O ATOM 0 H GLY 3 36 31.739 10.647 -11.528 1.00 0.00 H new ATOM 0 HA2 GLY 3 36 33.480 10.294 -9.233 1.00 0.00 H new ATOM 0 HA3 GLY 3 36 33.287 11.741 -10.203 1.00 0.00 H new ATOM 1377 N LEU 3 37 32.258 11.372 -7.318 1.00 0.00 N ATOM 1378 CA LEU 3 37 31.489 11.971 -6.185 1.00 0.00 C ATOM 1379 C LEU 3 37 32.075 13.339 -5.835 1.00 0.00 C ATOM 1380 O LEU 3 37 31.521 14.368 -6.165 1.00 0.00 O ATOM 1381 CB LEU 3 37 31.667 10.997 -5.020 1.00 0.00 C ATOM 1382 CG LEU 3 37 30.420 10.118 -4.898 1.00 0.00 C ATOM 1383 CD1 LEU 3 37 30.700 8.964 -3.933 1.00 0.00 C ATOM 1384 CD2 LEU 3 37 29.257 10.957 -4.362 1.00 0.00 C ATOM 0 H LEU 3 37 33.055 10.797 -7.044 1.00 0.00 H new ATOM 0 HA LEU 3 37 30.437 12.119 -6.427 1.00 0.00 H new ATOM 0 HB2 LEU 3 37 32.548 10.377 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU 3 37 31.830 11.547 -4.093 1.00 0.00 H new ATOM 0 HG LEU 3 37 30.161 9.718 -5.878 1.00 0.00 H new ATOM 0 HD11 LEU 3 37 29.812 8.338 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU 3 37 31.529 8.366 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU 3 37 30.959 9.364 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU 3 37 28.368 10.333 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU 3 37 29.518 11.356 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU 3 37 29.056 11.780 -5.047 1.00 0.00 H new ATOM 1396 N GLY 3 38 33.198 13.355 -5.174 1.00 0.00 N ATOM 1397 CA GLY 3 38 33.830 14.651 -4.808 1.00 0.00 C ATOM 1398 C GLY 3 38 35.303 14.414 -4.482 1.00 0.00 C ATOM 1399 O GLY 3 38 35.721 13.299 -4.242 1.00 0.00 O ATOM 0 H GLY 3 38 33.706 12.524 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY 3 38 33.736 15.361 -5.630 1.00 0.00 H new ATOM 0 HA3 GLY 3 38 33.321 15.089 -3.950 1.00 0.00 H new ATOM 1403 N ARG 3 39 36.095 15.449 -4.462 1.00 0.00 N ATOM 1404 CA ARG 3 39 37.538 15.264 -4.140 1.00 0.00 C ATOM 1405 C ARG 3 39 37.740 15.290 -2.620 1.00 0.00 C ATOM 1406 O ARG 3 39 38.795 14.953 -2.122 1.00 0.00 O ATOM 1407 CB ARG 3 39 38.264 16.438 -4.801 1.00 0.00 C ATOM 1408 CG ARG 3 39 37.645 16.733 -6.170 1.00 0.00 C ATOM 1409 CD ARG 3 39 36.795 18.003 -6.083 1.00 0.00 C ATOM 1410 NE ARG 3 39 35.515 17.657 -6.761 1.00 0.00 N ATOM 1411 CZ ARG 3 39 34.509 18.487 -6.721 1.00 0.00 C ATOM 1412 NH1 ARG 3 39 34.600 19.652 -7.302 1.00 0.00 N ATOM 1413 NH2 ARG 3 39 33.412 18.153 -6.098 1.00 0.00 N ATOM 0 H ARG 3 39 35.809 16.409 -4.653 1.00 0.00 H new ATOM 0 HA ARG 3 39 37.919 14.309 -4.501 1.00 0.00 H new ATOM 0 HB2 ARG 3 39 38.199 17.321 -4.165 1.00 0.00 H new ATOM 0 HB3 ARG 3 39 39.323 16.204 -4.914 1.00 0.00 H new ATOM 0 HG2 ARG 3 39 38.430 16.858 -6.916 1.00 0.00 H new ATOM 0 HG3 ARG 3 39 37.030 15.892 -6.492 1.00 0.00 H new ATOM 0 HD2 ARG 3 39 36.626 18.295 -5.046 1.00 0.00 H new ATOM 0 HD3 ARG 3 39 37.288 18.842 -6.574 1.00 0.00 H new ATOM 0 HE ARG 3 39 35.425 16.770 -7.257 1.00 0.00 H new ATOM 0 HH11 ARG 3 39 35.458 19.914 -7.788 1.00 0.00 H new ATOM 0 HH12 ARG 3 39 33.813 20.300 -7.270 1.00 0.00 H new ATOM 0 HH21 ARG 3 39 33.341 17.243 -5.642 1.00 0.00 H new ATOM 0 HH22 ARG 3 39 32.626 18.802 -6.067 1.00 0.00 H new ATOM 1427 N ASP 3 40 36.732 15.671 -1.877 1.00 0.00 N ATOM 1428 CA ASP 3 40 36.869 15.695 -0.394 1.00 0.00 C ATOM 1429 C ASP 3 40 36.653 14.287 0.159 1.00 0.00 C ATOM 1430 O ASP 3 40 35.898 13.500 -0.376 1.00 0.00 O ATOM 1431 CB ASP 3 40 35.786 16.657 0.093 1.00 0.00 C ATOM 1432 CG ASP 3 40 36.357 18.074 0.164 1.00 0.00 C ATOM 1433 OD1 ASP 3 40 36.854 18.439 1.216 1.00 0.00 O ATOM 1434 OD2 ASP 3 40 36.288 18.770 -0.835 1.00 0.00 O ATOM 0 H ASP 3 40 35.823 15.965 -2.234 1.00 0.00 H new ATOM 0 HA ASP 3 40 37.856 16.018 -0.064 1.00 0.00 H new ATOM 0 HB2 ASP 3 40 34.931 16.631 -0.583 1.00 0.00 H new ATOM 0 HB3 ASP 3 40 35.426 16.349 1.075 1.00 0.00 H new ATOM 1439 N ARG 3 41 37.334 13.964 1.217 1.00 0.00 N ATOM 1440 CA ARG 3 41 37.210 12.604 1.815 1.00 0.00 C ATOM 1441 C ARG 3 41 35.927 12.489 2.632 1.00 0.00 C ATOM 1442 O ARG 3 41 35.131 11.592 2.436 1.00 0.00 O ATOM 1443 CB ARG 3 41 38.434 12.459 2.720 1.00 0.00 C ATOM 1444 CG ARG 3 41 38.823 10.984 2.822 1.00 0.00 C ATOM 1445 CD ARG 3 41 38.577 10.485 4.248 1.00 0.00 C ATOM 1446 NE ARG 3 41 39.574 11.209 5.084 1.00 0.00 N ATOM 1447 CZ ARG 3 41 40.845 10.945 4.957 1.00 0.00 C ATOM 1448 NH1 ARG 3 41 41.646 11.826 4.423 1.00 0.00 N ATOM 1449 NH2 ARG 3 41 41.318 9.799 5.366 1.00 0.00 N ATOM 0 H ARG 3 41 37.979 14.588 1.701 1.00 0.00 H new ATOM 0 HA ARG 3 41 37.165 11.826 1.053 1.00 0.00 H new ATOM 0 HB2 ARG 3 41 39.266 13.038 2.319 1.00 0.00 H new ATOM 0 HB3 ARG 3 41 38.216 12.858 3.711 1.00 0.00 H new ATOM 0 HG2 ARG 3 41 38.241 10.394 2.114 1.00 0.00 H new ATOM 0 HG3 ARG 3 41 39.872 10.855 2.557 1.00 0.00 H new ATOM 0 HD2 ARG 3 41 37.559 10.700 4.572 1.00 0.00 H new ATOM 0 HD3 ARG 3 41 38.712 9.406 4.318 1.00 0.00 H new ATOM 0 HE ARG 3 41 39.263 11.911 5.756 1.00 0.00 H new ATOM 0 HH11 ARG 3 41 41.278 12.722 4.104 1.00 0.00 H new ATOM 0 HH12 ARG 3 41 42.640 11.618 4.324 1.00 0.00 H new ATOM 0 HH21 ARG 3 41 40.694 9.110 5.785 1.00 0.00 H new ATOM 0 HH22 ARG 3 41 42.312 9.593 5.267 1.00 0.00 H new ATOM 1463 N ARG 3 42 35.722 13.387 3.551 1.00 0.00 N ATOM 1464 CA ARG 3 42 34.488 13.319 4.384 1.00 0.00 C ATOM 1465 C ARG 3 42 33.259 13.581 3.516 1.00 0.00 C ATOM 1466 O ARG 3 42 32.160 13.184 3.843 1.00 0.00 O ATOM 1467 CB ARG 3 42 34.656 14.411 5.444 1.00 0.00 C ATOM 1468 CG ARG 3 42 34.838 15.771 4.768 1.00 0.00 C ATOM 1469 CD ARG 3 42 33.821 16.764 5.337 1.00 0.00 C ATOM 1470 NE ARG 3 42 34.411 17.228 6.623 1.00 0.00 N ATOM 1471 CZ ARG 3 42 33.737 18.036 7.396 1.00 0.00 C ATOM 1472 NH1 ARG 3 42 32.859 18.852 6.881 1.00 0.00 N ATOM 1473 NH2 ARG 3 42 33.941 18.027 8.684 1.00 0.00 N ATOM 0 H ARG 3 42 36.350 14.162 3.762 1.00 0.00 H new ATOM 0 HA ARG 3 42 34.348 12.340 4.842 1.00 0.00 H new ATOM 0 HB2 ARG 3 42 33.783 14.434 6.096 1.00 0.00 H new ATOM 0 HB3 ARG 3 42 35.518 14.190 6.073 1.00 0.00 H new ATOM 0 HG2 ARG 3 42 35.851 16.138 4.932 1.00 0.00 H new ATOM 0 HG3 ARG 3 42 34.704 15.674 3.691 1.00 0.00 H new ATOM 0 HD2 ARG 3 42 33.659 17.598 4.654 1.00 0.00 H new ATOM 0 HD3 ARG 3 42 32.853 16.289 5.496 1.00 0.00 H new ATOM 0 HE ARG 3 42 35.341 16.915 6.900 1.00 0.00 H new ATOM 0 HH11 ARG 3 42 32.699 18.859 5.874 1.00 0.00 H new ATOM 0 HH12 ARG 3 42 32.333 19.483 7.486 1.00 0.00 H new ATOM 0 HH21 ARG 3 42 34.627 17.389 9.087 1.00 0.00 H new ATOM 0 HH22 ARG 3 42 33.415 18.658 9.288 1.00 0.00 H new ATOM 1487 N ILE 3 43 33.442 14.250 2.414 1.00 0.00 N ATOM 1488 CA ILE 3 43 32.296 14.549 1.512 1.00 0.00 C ATOM 1489 C ILE 3 43 31.876 13.303 0.723 1.00 0.00 C ATOM 1490 O ILE 3 43 30.779 12.805 0.872 1.00 0.00 O ATOM 1491 CB ILE 3 43 32.844 15.623 0.578 1.00 0.00 C ATOM 1492 CG1 ILE 3 43 32.970 16.951 1.336 1.00 0.00 C ATOM 1493 CG2 ILE 3 43 31.902 15.800 -0.614 1.00 0.00 C ATOM 1494 CD1 ILE 3 43 31.637 17.299 2.004 1.00 0.00 C ATOM 0 H ILE 3 43 34.344 14.606 2.096 1.00 0.00 H new ATOM 0 HA ILE 3 43 31.407 14.871 2.054 1.00 0.00 H new ATOM 0 HB ILE 3 43 33.827 15.318 0.218 1.00 0.00 H new ATOM 0 HG12 ILE 3 43 33.755 16.877 2.088 1.00 0.00 H new ATOM 0 HG13 ILE 3 43 33.261 17.746 0.649 1.00 0.00 H new ATOM 0 HG21 ILE 3 43 32.297 16.568 -1.279 1.00 0.00 H new ATOM 0 HG22 ILE 3 43 31.820 14.858 -1.156 1.00 0.00 H new ATOM 0 HG23 ILE 3 43 30.917 16.100 -0.258 1.00 0.00 H new ATOM 0 HD11 ILE 3 43 31.734 18.243 2.540 1.00 0.00 H new ATOM 0 HD12 ILE 3 43 30.862 17.392 1.243 1.00 0.00 H new ATOM 0 HD13 ILE 3 43 31.364 16.510 2.705 1.00 0.00 H new ATOM 1506 N ALA 3 44 32.738 12.799 -0.119 1.00 0.00 N ATOM 1507 CA ALA 3 44 32.380 11.588 -0.916 1.00 0.00 C ATOM 1508 C ALA 3 44 31.968 10.453 0.025 1.00 0.00 C ATOM 1509 O ALA 3 44 31.007 9.750 -0.217 1.00 0.00 O ATOM 1510 CB ALA 3 44 33.656 11.219 -1.670 1.00 0.00 C ATOM 0 H ALA 3 44 33.672 13.172 -0.290 1.00 0.00 H new ATOM 0 HA ALA 3 44 31.545 11.766 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA 3 44 33.475 10.335 -2.281 1.00 0.00 H new ATOM 0 HB2 ALA 3 44 33.953 12.049 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA 3 44 34.453 11.009 -0.956 1.00 0.00 H new ATOM 1516 N ILE 3 45 32.687 10.277 1.102 1.00 0.00 N ATOM 1517 CA ILE 3 45 32.337 9.194 2.066 1.00 0.00 C ATOM 1518 C ILE 3 45 30.951 9.456 2.663 1.00 0.00 C ATOM 1519 O ILE 3 45 30.099 8.589 2.689 1.00 0.00 O ATOM 1520 CB ILE 3 45 33.409 9.271 3.154 1.00 0.00 C ATOM 1521 CG1 ILE 3 45 34.726 8.683 2.631 1.00 0.00 C ATOM 1522 CG2 ILE 3 45 32.946 8.477 4.375 1.00 0.00 C ATOM 1523 CD1 ILE 3 45 35.888 9.209 3.474 1.00 0.00 C ATOM 0 H ILE 3 45 33.501 10.837 1.355 1.00 0.00 H new ATOM 0 HA ILE 3 45 32.305 8.212 1.594 1.00 0.00 H new ATOM 0 HB ILE 3 45 33.568 10.313 3.431 1.00 0.00 H new ATOM 0 HG12 ILE 3 45 34.694 7.594 2.675 1.00 0.00 H new ATOM 0 HG13 ILE 3 45 34.869 8.955 1.585 1.00 0.00 H new ATOM 0 HG21 ILE 3 45 33.707 8.529 5.153 1.00 0.00 H new ATOM 0 HG22 ILE 3 45 32.014 8.898 4.751 1.00 0.00 H new ATOM 0 HG23 ILE 3 45 32.786 7.436 4.093 1.00 0.00 H new ATOM 0 HD11 ILE 3 45 36.824 8.792 3.103 1.00 0.00 H new ATOM 0 HD12 ILE 3 45 35.923 10.296 3.407 1.00 0.00 H new ATOM 0 HD13 ILE 3 45 35.746 8.914 4.514 1.00 0.00 H new ATOM 1535 N THR 3 46 30.720 10.649 3.139 1.00 0.00 N ATOM 1536 CA THR 3 46 29.392 10.977 3.733 1.00 0.00 C ATOM 1537 C THR 3 46 28.283 10.704 2.716 1.00 0.00 C ATOM 1538 O THR 3 46 27.239 10.175 3.042 1.00 0.00 O ATOM 1539 CB THR 3 46 29.472 12.472 4.057 1.00 0.00 C ATOM 1540 OG1 THR 3 46 30.058 12.646 5.339 1.00 0.00 O ATOM 1541 CG2 THR 3 46 28.072 13.087 4.047 1.00 0.00 C ATOM 0 H THR 3 46 31.396 11.413 3.142 1.00 0.00 H new ATOM 0 HA THR 3 46 29.167 10.379 4.616 1.00 0.00 H new ATOM 0 HB THR 3 46 30.083 12.969 3.303 1.00 0.00 H new ATOM 0 HG1 THR 3 46 31.001 12.894 5.237 1.00 0.00 H new ATOM 0 HG21 THR 3 46 28.140 14.150 4.278 1.00 0.00 H new ATOM 0 HG22 THR 3 46 27.625 12.958 3.061 1.00 0.00 H new ATOM 0 HG23 THR 3 46 27.452 12.592 4.794 1.00 0.00 H new ATOM 1549 N GLU 3 47 28.505 11.064 1.484 1.00 0.00 N ATOM 1550 CA GLU 3 47 27.470 10.832 0.435 1.00 0.00 C ATOM 1551 C GLU 3 47 27.187 9.334 0.278 1.00 0.00 C ATOM 1552 O GLU 3 47 26.057 8.892 0.360 1.00 0.00 O ATOM 1553 CB GLU 3 47 28.076 11.400 -0.848 1.00 0.00 C ATOM 1554 CG GLU 3 47 28.270 12.909 -0.695 1.00 0.00 C ATOM 1555 CD GLU 3 47 26.960 13.629 -1.021 1.00 0.00 C ATOM 1556 OE1 GLU 3 47 26.211 13.114 -1.836 1.00 0.00 O ATOM 1557 OE2 GLU 3 47 26.728 14.681 -0.450 1.00 0.00 O ATOM 0 H GLU 3 47 29.361 11.511 1.155 1.00 0.00 H new ATOM 0 HA GLU 3 47 26.520 11.304 0.685 1.00 0.00 H new ATOM 0 HB2 GLU 3 47 29.032 10.919 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU 3 47 27.423 11.190 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU 3 47 28.583 13.145 0.322 1.00 0.00 H new ATOM 0 HG3 GLU 3 47 29.062 13.254 -1.360 1.00 0.00 H new ATOM 1564 N ALA 3 48 28.205 8.551 0.046 1.00 0.00 N ATOM 1565 CA ALA 3 48 27.994 7.085 -0.125 1.00 0.00 C ATOM 1566 C ALA 3 48 27.372 6.488 1.138 1.00 0.00 C ATOM 1567 O ALA 3 48 26.587 5.562 1.077 1.00 0.00 O ATOM 1568 CB ALA 3 48 29.388 6.507 -0.361 1.00 0.00 C ATOM 0 H ALA 3 48 29.173 8.863 -0.033 1.00 0.00 H new ATOM 0 HA ALA 3 48 27.316 6.860 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA 3 48 29.316 5.428 -0.496 1.00 0.00 H new ATOM 0 HB2 ALA 3 48 29.822 6.957 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA 3 48 30.022 6.723 0.499 1.00 0.00 H new ATOM 1574 N ILE 3 49 27.711 7.011 2.285 1.00 0.00 N ATOM 1575 CA ILE 3 49 27.130 6.468 3.544 1.00 0.00 C ATOM 1576 C ILE 3 49 25.614 6.658 3.540 1.00 0.00 C ATOM 1577 O ILE 3 49 24.869 5.778 3.918 1.00 0.00 O ATOM 1578 CB ILE 3 49 27.767 7.284 4.668 1.00 0.00 C ATOM 1579 CG1 ILE 3 49 28.905 6.477 5.298 1.00 0.00 C ATOM 1580 CG2 ILE 3 49 26.713 7.595 5.733 1.00 0.00 C ATOM 1581 CD1 ILE 3 49 30.224 7.235 5.134 1.00 0.00 C ATOM 0 H ILE 3 49 28.362 7.787 2.404 1.00 0.00 H new ATOM 0 HA ILE 3 49 27.323 5.402 3.661 1.00 0.00 H new ATOM 0 HB ILE 3 49 28.161 8.217 4.264 1.00 0.00 H new ATOM 0 HG12 ILE 3 49 28.701 6.306 6.355 1.00 0.00 H new ATOM 0 HG13 ILE 3 49 28.975 5.498 4.824 1.00 0.00 H new ATOM 0 HG21 ILE 3 49 27.167 8.177 6.535 1.00 0.00 H new ATOM 0 HG22 ILE 3 49 25.900 8.167 5.285 1.00 0.00 H new ATOM 0 HG23 ILE 3 49 26.320 6.663 6.139 1.00 0.00 H new ATOM 0 HD11 ILE 3 49 31.033 6.659 5.583 1.00 0.00 H new ATOM 0 HD12 ILE 3 49 30.429 7.383 4.074 1.00 0.00 H new ATOM 0 HD13 ILE 3 49 30.151 8.204 5.628 1.00 0.00 H new ATOM 1593 N GLN 3 50 25.152 7.803 3.112 1.00 0.00 N ATOM 1594 CA GLN 3 50 23.682 8.049 3.084 1.00 0.00 C ATOM 1595 C GLN 3 50 22.998 7.032 2.173 1.00 0.00 C ATOM 1596 O GLN 3 50 22.038 6.379 2.548 1.00 0.00 O ATOM 1597 CB GLN 3 50 23.525 9.463 2.525 1.00 0.00 C ATOM 1598 CG GLN 3 50 23.575 10.476 3.670 1.00 0.00 C ATOM 1599 CD GLN 3 50 22.152 10.903 4.037 1.00 0.00 C ATOM 1600 OE1 GLN 3 50 21.349 10.090 4.448 1.00 0.00 O ATOM 1601 NE2 GLN 3 50 21.805 12.153 3.903 1.00 0.00 N ATOM 0 H GLN 3 50 25.728 8.577 2.781 1.00 0.00 H new ATOM 0 HA GLN 3 50 23.227 7.951 4.070 1.00 0.00 H new ATOM 0 HB2 GLN 3 50 24.318 9.671 1.807 1.00 0.00 H new ATOM 0 HB3 GLN 3 50 22.580 9.550 1.990 1.00 0.00 H new ATOM 0 HG2 GLN 3 50 24.069 10.037 4.537 1.00 0.00 H new ATOM 0 HG3 GLN 3 50 24.162 11.346 3.375 1.00 0.00 H new ATOM 0 HE21 GLN 3 50 22.480 12.835 3.558 1.00 0.00 H new ATOM 0 HE22 GLN 3 50 20.859 12.448 4.143 1.00 0.00 H new ATOM 1610 N ALA 3 51 23.492 6.886 0.982 1.00 0.00 N ATOM 1611 CA ALA 3 51 22.882 5.905 0.045 1.00 0.00 C ATOM 1612 C ALA 3 51 22.905 4.522 0.691 1.00 0.00 C ATOM 1613 O ALA 3 51 21.970 3.755 0.581 1.00 0.00 O ATOM 1614 CB ALA 3 51 23.766 5.937 -1.201 1.00 0.00 C ATOM 0 H ALA 3 51 24.291 7.402 0.614 1.00 0.00 H new ATOM 0 HA ALA 3 51 21.846 6.138 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA 3 51 23.378 5.236 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA 3 51 23.768 6.943 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA 3 51 24.784 5.654 -0.932 1.00 0.00 H new ATOM 1620 N ASN 3 52 23.967 4.207 1.381 1.00 0.00 N ATOM 1621 CA ASN 3 52 24.054 2.883 2.054 1.00 0.00 C ATOM 1622 C ASN 3 52 22.927 2.751 3.079 1.00 0.00 C ATOM 1623 O ASN 3 52 22.440 1.669 3.339 1.00 0.00 O ATOM 1624 CB ASN 3 52 25.419 2.875 2.741 1.00 0.00 C ATOM 1625 CG ASN 3 52 26.518 2.760 1.684 1.00 0.00 C ATOM 1626 OD1 ASN 3 52 26.306 2.196 0.629 1.00 0.00 O ATOM 1627 ND2 ASN 3 52 27.693 3.274 1.924 1.00 0.00 N ATOM 0 H ASN 3 52 24.779 4.812 1.507 1.00 0.00 H new ATOM 0 HA ASN 3 52 23.952 2.050 1.358 1.00 0.00 H new ATOM 0 HB2 ASN 3 52 25.552 3.788 3.322 1.00 0.00 H new ATOM 0 HB3 ASN 3 52 25.482 2.041 3.440 1.00 0.00 H new ATOM 0 HD21 ASN 3 52 28.433 3.202 1.226 1.00 0.00 H new ATOM 0 HD22 ASN 3 52 27.871 3.748 2.810 1.00 0.00 H new ATOM 1634 N ILE 3 53 22.492 3.844 3.651 1.00 0.00 N ATOM 1635 CA ILE 3 53 21.381 3.757 4.638 1.00 0.00 C ATOM 1636 C ILE 3 53 20.146 3.251 3.908 1.00 0.00 C ATOM 1637 O ILE 3 53 19.485 2.327 4.338 1.00 0.00 O ATOM 1638 CB ILE 3 53 21.153 5.183 5.144 1.00 0.00 C ATOM 1639 CG1 ILE 3 53 22.465 5.769 5.672 1.00 0.00 C ATOM 1640 CG2 ILE 3 53 20.120 5.163 6.272 1.00 0.00 C ATOM 1641 CD1 ILE 3 53 23.334 4.653 6.254 1.00 0.00 C ATOM 0 H ILE 3 53 22.855 4.782 3.479 1.00 0.00 H new ATOM 0 HA ILE 3 53 21.600 3.085 5.468 1.00 0.00 H new ATOM 0 HB ILE 3 53 20.791 5.799 4.321 1.00 0.00 H new ATOM 0 HG12 ILE 3 53 22.998 6.275 4.867 1.00 0.00 H new ATOM 0 HG13 ILE 3 53 22.258 6.517 6.437 1.00 0.00 H new ATOM 0 HG21 ILE 3 53 19.956 6.178 6.634 1.00 0.00 H new ATOM 0 HG22 ILE 3 53 19.181 4.755 5.898 1.00 0.00 H new ATOM 0 HG23 ILE 3 53 20.486 4.541 7.089 1.00 0.00 H new ATOM 0 HD11 ILE 3 53 24.266 5.076 6.628 1.00 0.00 H new ATOM 0 HD12 ILE 3 53 22.802 4.167 7.072 1.00 0.00 H new ATOM 0 HD13 ILE 3 53 23.554 3.920 5.477 1.00 0.00 H new ATOM 1653 N GLU 3 54 19.852 3.837 2.784 1.00 0.00 N ATOM 1654 CA GLU 3 54 18.679 3.373 1.996 1.00 0.00 C ATOM 1655 C GLU 3 54 18.942 1.944 1.512 1.00 0.00 C ATOM 1656 O GLU 3 54 18.105 1.071 1.629 1.00 0.00 O ATOM 1657 CB GLU 3 54 18.582 4.340 0.817 1.00 0.00 C ATOM 1658 CG GLU 3 54 18.385 5.763 1.344 1.00 0.00 C ATOM 1659 CD GLU 3 54 18.111 6.710 0.175 1.00 0.00 C ATOM 1660 OE1 GLU 3 54 18.573 6.422 -0.916 1.00 0.00 O ATOM 1661 OE2 GLU 3 54 17.445 7.709 0.391 1.00 0.00 O ATOM 0 H GLU 3 54 20.371 4.615 2.377 1.00 0.00 H new ATOM 0 HA GLU 3 54 17.753 3.361 2.572 1.00 0.00 H new ATOM 0 HB2 GLU 3 54 19.487 4.286 0.212 1.00 0.00 H new ATOM 0 HB3 GLU 3 54 17.750 4.061 0.171 1.00 0.00 H new ATOM 0 HG2 GLU 3 54 17.554 5.789 2.049 1.00 0.00 H new ATOM 0 HG3 GLU 3 54 19.273 6.087 1.887 1.00 0.00 H new ATOM 1668 N LEU 3 55 20.112 1.701 0.980 1.00 0.00 N ATOM 1669 CA LEU 3 55 20.449 0.330 0.499 1.00 0.00 C ATOM 1670 C LEU 3 55 20.349 -0.672 1.653 1.00 0.00 C ATOM 1671 O LEU 3 55 20.208 -1.861 1.446 1.00 0.00 O ATOM 1672 CB LEU 3 55 21.889 0.427 -0.010 1.00 0.00 C ATOM 1673 CG LEU 3 55 21.891 0.955 -1.447 1.00 0.00 C ATOM 1674 CD1 LEU 3 55 23.307 1.385 -1.832 1.00 0.00 C ATOM 1675 CD2 LEU 3 55 21.420 -0.148 -2.399 1.00 0.00 C ATOM 0 H LEU 3 55 20.849 2.395 0.858 1.00 0.00 H new ATOM 0 HA LEU 3 55 19.768 -0.014 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU 3 55 22.469 1.090 0.633 1.00 0.00 H new ATOM 0 HB3 LEU 3 55 22.366 -0.552 0.029 1.00 0.00 H new ATOM 0 HG LEU 3 55 21.218 1.810 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU 3 55 23.308 1.761 -2.855 1.00 0.00 H new ATOM 0 HD12 LEU 3 55 23.645 2.171 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU 3 55 23.979 0.530 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU 3 55 21.422 0.229 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU 3 55 22.092 -1.003 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU 3 55 20.410 -0.456 -2.128 1.00 0.00 H new ATOM 1687 N PHE 3 56 20.425 -0.200 2.868 1.00 0.00 N ATOM 1688 CA PHE 3 56 20.338 -1.122 4.037 1.00 0.00 C ATOM 1689 C PHE 3 56 18.929 -1.103 4.644 1.00 0.00 C ATOM 1690 O PHE 3 56 18.692 -1.684 5.685 1.00 0.00 O ATOM 1691 CB PHE 3 56 21.356 -0.584 5.044 1.00 0.00 C ATOM 1692 CG PHE 3 56 22.697 -1.234 4.806 1.00 0.00 C ATOM 1693 CD1 PHE 3 56 23.150 -1.450 3.500 1.00 0.00 C ATOM 1694 CD2 PHE 3 56 23.488 -1.621 5.894 1.00 0.00 C ATOM 1695 CE1 PHE 3 56 24.394 -2.053 3.281 1.00 0.00 C ATOM 1696 CE2 PHE 3 56 24.732 -2.224 5.676 1.00 0.00 C ATOM 1697 CZ PHE 3 56 25.185 -2.439 4.369 1.00 0.00 C ATOM 0 H PHE 3 56 20.544 0.786 3.102 1.00 0.00 H new ATOM 0 HA PHE 3 56 20.542 -2.154 3.753 1.00 0.00 H new ATOM 0 HB2 PHE 3 56 21.443 0.498 4.946 1.00 0.00 H new ATOM 0 HB3 PHE 3 56 21.018 -0.786 6.061 1.00 0.00 H new ATOM 0 HD1 PHE 3 56 22.540 -1.151 2.661 1.00 0.00 H new ATOM 0 HD2 PHE 3 56 23.138 -1.454 6.902 1.00 0.00 H new ATOM 0 HE1 PHE 3 56 24.743 -2.220 2.273 1.00 0.00 H new ATOM 0 HE2 PHE 3 56 25.342 -2.523 6.515 1.00 0.00 H new ATOM 0 HZ PHE 3 56 26.146 -2.903 4.200 1.00 0.00 H new