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= -2.82! C(o=-9.9!,f=-14!) USER MOD Set 1.2: 3 52 ASN : amide:sc= -7.07! C(o=-9.9!,f=-16!) USER MOD Single : 3 6 SER OG : rot 180:sc= 0 USER MOD Single : 3 7 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : 3 17 TYR OH : rot 150:sc= 0 USER MOD Single : 3 20 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.7!) USER MOD Single : 3 21 ASN : amide:sc= -0.0516 X(o=-0.052,f=-0.016) USER MOD Single : 3 23 TYR OH : rot 180:sc= 0.151 USER MOD Single : 3 24 TYR OH : rot 180:sc= -0.0632 USER MOD Single : 3 25 CYS SG : rot -9:sc= -0.509! USER MOD Single : 3 26 TYR OH : rot 30:sc=-0.00867 USER MOD Single : 3 31 THR OG1 : rot 180:sc= 0 USER MOD Single : 3 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 3 46 THR OG1 : rot 102:sc= 0.974 USER MOD Single : 3 50 GLN : amide:sc=-0.000111 X(o=-0.00011,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 790 N ARG 3 3 40.505 -7.467 -5.602 1.00 0.00 N ATOM 791 CA ARG 3 3 40.788 -6.465 -4.535 1.00 0.00 C ATOM 792 C ARG 3 3 39.887 -6.726 -3.325 1.00 0.00 C ATOM 793 O ARG 3 3 38.746 -6.309 -3.288 1.00 0.00 O ATOM 794 CB ARG 3 3 40.466 -5.113 -5.171 1.00 0.00 C ATOM 795 CG ARG 3 3 41.560 -4.747 -6.175 1.00 0.00 C ATOM 796 CD ARG 3 3 41.141 -5.200 -7.574 1.00 0.00 C ATOM 797 NE ARG 3 3 41.994 -4.409 -8.505 1.00 0.00 N ATOM 798 CZ ARG 3 3 43.273 -4.655 -8.584 1.00 0.00 C ATOM 799 NH1 ARG 3 3 43.696 -5.886 -8.667 1.00 0.00 N ATOM 800 NH2 ARG 3 3 44.128 -3.670 -8.582 1.00 0.00 N ATOM 0 HA ARG 3 3 41.817 -6.509 -4.180 1.00 0.00 H new ATOM 0 HB2 ARG 3 3 39.498 -5.156 -5.671 1.00 0.00 H new ATOM 0 HB3 ARG 3 3 40.393 -4.345 -4.401 1.00 0.00 H new ATOM 0 HG2 ARG 3 3 41.731 -3.671 -6.166 1.00 0.00 H new ATOM 0 HG3 ARG 3 3 42.500 -5.222 -5.894 1.00 0.00 H new ATOM 0 HD2 ARG 3 3 41.299 -6.270 -7.706 1.00 0.00 H new ATOM 0 HD3 ARG 3 3 40.082 -5.010 -7.750 1.00 0.00 H new ATOM 0 HE ARG 3 3 41.579 -3.676 -9.080 1.00 0.00 H new ATOM 0 HH11 ARG 3 3 43.027 -6.656 -8.670 1.00 0.00 H new ATOM 0 HH12 ARG 3 3 44.696 -6.079 -8.729 1.00 0.00 H new ATOM 0 HH21 ARG 3 3 43.797 -2.707 -8.519 1.00 0.00 H new ATOM 0 HH22 ARG 3 3 45.128 -3.862 -8.644 1.00 0.00 H new ATOM 814 N ARG 3 4 40.385 -7.425 -2.341 1.00 0.00 N ATOM 815 CA ARG 3 4 39.547 -7.725 -1.143 1.00 0.00 C ATOM 816 C ARG 3 4 39.335 -6.467 -0.296 1.00 0.00 C ATOM 817 O ARG 3 4 38.227 -5.989 -0.152 1.00 0.00 O ATOM 818 CB ARG 3 4 40.345 -8.765 -0.358 1.00 0.00 C ATOM 819 CG ARG 3 4 39.783 -10.161 -0.633 1.00 0.00 C ATOM 820 CD ARG 3 4 39.802 -10.984 0.659 1.00 0.00 C ATOM 821 NE ARG 3 4 41.018 -11.836 0.554 1.00 0.00 N ATOM 822 CZ ARG 3 4 42.020 -11.646 1.370 1.00 0.00 C ATOM 823 NH1 ARG 3 4 42.607 -10.483 1.422 1.00 0.00 N ATOM 824 NH2 ARG 3 4 42.433 -12.621 2.132 1.00 0.00 N ATOM 0 H ARG 3 4 41.333 -7.801 -2.314 1.00 0.00 H new ATOM 0 HA ARG 3 4 38.556 -8.084 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG 3 4 41.396 -8.723 -0.644 1.00 0.00 H new ATOM 0 HB3 ARG 3 4 40.296 -8.546 0.709 1.00 0.00 H new ATOM 0 HG2 ARG 3 4 38.764 -10.086 -1.014 1.00 0.00 H new ATOM 0 HG3 ARG 3 4 40.375 -10.658 -1.402 1.00 0.00 H new ATOM 0 HD2 ARG 3 4 39.846 -10.340 1.537 1.00 0.00 H new ATOM 0 HD3 ARG 3 4 38.902 -11.591 0.754 1.00 0.00 H new ATOM 0 HE ARG 3 4 41.069 -12.568 -0.155 1.00 0.00 H new ATOM 0 HH11 ARG 3 4 42.284 -9.721 0.825 1.00 0.00 H new ATOM 0 HH12 ARG 3 4 43.389 -10.335 2.059 1.00 0.00 H new ATOM 0 HH21 ARG 3 4 41.974 -13.531 2.090 1.00 0.00 H new ATOM 0 HH22 ARG 3 4 43.215 -12.474 2.770 1.00 0.00 H new ATOM 838 N ARG 3 5 40.379 -5.929 0.272 1.00 0.00 N ATOM 839 CA ARG 3 5 40.215 -4.706 1.112 1.00 0.00 C ATOM 840 C ARG 3 5 41.388 -3.742 0.909 1.00 0.00 C ATOM 841 O ARG 3 5 42.420 -4.102 0.377 1.00 0.00 O ATOM 842 CB ARG 3 5 40.187 -5.217 2.552 1.00 0.00 C ATOM 843 CG ARG 3 5 41.416 -6.093 2.808 1.00 0.00 C ATOM 844 CD ARG 3 5 41.794 -6.020 4.290 1.00 0.00 C ATOM 845 NE ARG 3 5 42.460 -7.319 4.582 1.00 0.00 N ATOM 846 CZ ARG 3 5 42.915 -7.563 5.779 1.00 0.00 C ATOM 847 NH1 ARG 3 5 44.184 -7.402 6.042 1.00 0.00 N ATOM 848 NH2 ARG 3 5 42.102 -7.969 6.715 1.00 0.00 N ATOM 0 H ARG 3 5 41.334 -6.280 0.193 1.00 0.00 H new ATOM 0 HA ARG 3 5 39.312 -4.154 0.852 1.00 0.00 H new ATOM 0 HB2 ARG 3 5 40.175 -4.377 3.247 1.00 0.00 H new ATOM 0 HB3 ARG 3 5 39.276 -5.789 2.728 1.00 0.00 H new ATOM 0 HG2 ARG 3 5 41.206 -7.125 2.526 1.00 0.00 H new ATOM 0 HG3 ARG 3 5 42.250 -5.757 2.192 1.00 0.00 H new ATOM 0 HD2 ARG 3 5 42.462 -5.181 4.486 1.00 0.00 H new ATOM 0 HD3 ARG 3 5 40.913 -5.879 4.916 1.00 0.00 H new ATOM 0 HE ARG 3 5 42.560 -8.018 3.846 1.00 0.00 H new ATOM 0 HH11 ARG 3 5 44.820 -7.085 5.310 1.00 0.00 H new ATOM 0 HH12 ARG 3 5 44.539 -7.593 6.979 1.00 0.00 H new ATOM 0 HH21 ARG 3 5 41.111 -8.095 6.510 1.00 0.00 H new ATOM 0 HH22 ARG 3 5 42.458 -8.160 7.652 1.00 0.00 H new ATOM 862 N SER 3 6 41.237 -2.520 1.344 1.00 0.00 N ATOM 863 CA SER 3 6 42.338 -1.525 1.197 1.00 0.00 C ATOM 864 C SER 3 6 42.425 -0.663 2.461 1.00 0.00 C ATOM 865 O SER 3 6 41.535 -0.670 3.288 1.00 0.00 O ATOM 866 CB SER 3 6 41.950 -0.674 -0.011 1.00 0.00 C ATOM 867 OG SER 3 6 42.683 -1.114 -1.148 1.00 0.00 O ATOM 0 H SER 3 6 40.394 -2.167 1.797 1.00 0.00 H new ATOM 0 HA SER 3 6 43.311 -1.996 1.059 1.00 0.00 H new ATOM 0 HB2 SER 3 6 40.880 -0.756 -0.200 1.00 0.00 H new ATOM 0 HB3 SER 3 6 42.160 0.377 0.187 1.00 0.00 H new ATOM 0 HG SER 3 6 42.436 -0.572 -1.926 1.00 0.00 H new ATOM 873 N HIS 3 7 43.488 0.077 2.624 1.00 0.00 N ATOM 874 CA HIS 3 7 43.619 0.931 3.843 1.00 0.00 C ATOM 875 C HIS 3 7 42.627 2.094 3.786 1.00 0.00 C ATOM 876 O HIS 3 7 42.047 2.475 4.782 1.00 0.00 O ATOM 877 CB HIS 3 7 45.055 1.451 3.818 1.00 0.00 C ATOM 878 CG HIS 3 7 45.078 2.871 4.310 1.00 0.00 C ATOM 879 ND1 HIS 3 7 44.871 3.195 5.643 1.00 0.00 N ATOM 880 CD2 HIS 3 7 45.278 4.065 3.662 1.00 0.00 C ATOM 881 CE1 HIS 3 7 44.950 4.534 5.751 1.00 0.00 C ATOM 882 NE2 HIS 3 7 45.196 5.113 4.573 1.00 0.00 N ATOM 0 H HIS 3 7 44.269 0.128 1.970 1.00 0.00 H new ATOM 0 HA HIS 3 7 43.405 0.375 4.756 1.00 0.00 H new ATOM 0 HB2 HIS 3 7 45.691 0.826 4.445 1.00 0.00 H new ATOM 0 HB3 HIS 3 7 45.455 1.398 2.806 1.00 0.00 H new ATOM 0 HD2 HIS 3 7 45.470 4.174 2.605 1.00 0.00 H new ATOM 0 HE1 HIS 3 7 44.829 5.075 6.678 1.00 0.00 H new ATOM 0 HE2 HIS 3 7 45.301 6.109 4.382 1.00 0.00 H new ATOM 890 N GLU 3 8 42.426 2.665 2.631 1.00 0.00 N ATOM 891 CA GLU 3 8 41.467 3.800 2.530 1.00 0.00 C ATOM 892 C GLU 3 8 40.040 3.285 2.712 1.00 0.00 C ATOM 893 O GLU 3 8 39.190 3.955 3.266 1.00 0.00 O ATOM 894 CB GLU 3 8 41.663 4.373 1.126 1.00 0.00 C ATOM 895 CG GLU 3 8 40.847 3.559 0.121 1.00 0.00 C ATOM 896 CD GLU 3 8 41.198 4.003 -1.301 1.00 0.00 C ATOM 897 OE1 GLU 3 8 40.333 4.557 -1.958 1.00 0.00 O ATOM 898 OE2 GLU 3 8 42.327 3.780 -1.707 1.00 0.00 O ATOM 0 H GLU 3 8 42.881 2.397 1.758 1.00 0.00 H new ATOM 0 HA GLU 3 8 41.636 4.558 3.295 1.00 0.00 H new ATOM 0 HB2 GLU 3 8 41.351 5.417 1.102 1.00 0.00 H new ATOM 0 HB3 GLU 3 8 42.719 4.349 0.857 1.00 0.00 H new ATOM 0 HG2 GLU 3 8 41.055 2.496 0.243 1.00 0.00 H new ATOM 0 HG3 GLU 3 8 39.782 3.698 0.304 1.00 0.00 H new ATOM 905 N ARG 3 9 39.777 2.089 2.268 1.00 0.00 N ATOM 906 CA ARG 3 9 38.418 1.520 2.427 1.00 0.00 C ATOM 907 C ARG 3 9 38.144 1.235 3.911 1.00 0.00 C ATOM 908 O ARG 3 9 37.031 0.941 4.301 1.00 0.00 O ATOM 909 CB ARG 3 9 38.457 0.229 1.607 1.00 0.00 C ATOM 910 CG ARG 3 9 37.433 -0.765 2.150 1.00 0.00 C ATOM 911 CD ARG 3 9 36.033 -0.149 2.076 1.00 0.00 C ATOM 912 NE ARG 3 9 35.227 -0.916 3.066 1.00 0.00 N ATOM 913 CZ ARG 3 9 33.927 -0.797 3.080 1.00 0.00 C ATOM 914 NH1 ARG 3 9 33.338 -0.201 4.081 1.00 0.00 N ATOM 915 NH2 ARG 3 9 33.216 -1.276 2.097 1.00 0.00 N ATOM 0 H ARG 3 9 40.450 1.481 1.800 1.00 0.00 H new ATOM 0 HA ARG 3 9 37.626 2.189 2.092 1.00 0.00 H new ATOM 0 HB2 ARG 3 9 38.245 0.447 0.560 1.00 0.00 H new ATOM 0 HB3 ARG 3 9 39.455 -0.207 1.646 1.00 0.00 H new ATOM 0 HG2 ARG 3 9 37.466 -1.689 1.573 1.00 0.00 H new ATOM 0 HG3 ARG 3 9 37.674 -1.024 3.181 1.00 0.00 H new ATOM 0 HD2 ARG 3 9 36.055 0.913 2.321 1.00 0.00 H new ATOM 0 HD3 ARG 3 9 35.615 -0.236 1.073 1.00 0.00 H new ATOM 0 HE ARG 3 9 35.690 -1.534 3.732 1.00 0.00 H new ATOM 0 HH11 ARG 3 9 33.893 0.171 4.851 1.00 0.00 H new ATOM 0 HH12 ARG 3 9 32.322 -0.108 4.093 1.00 0.00 H new ATOM 0 HH21 ARG 3 9 33.676 -1.744 1.316 1.00 0.00 H new ATOM 0 HH22 ARG 3 9 32.200 -1.182 2.109 1.00 0.00 H new ATOM 929 N ARG 3 10 39.151 1.323 4.746 1.00 0.00 N ATOM 930 CA ARG 3 10 38.946 1.061 6.195 1.00 0.00 C ATOM 931 C ARG 3 10 37.943 2.058 6.783 1.00 0.00 C ATOM 932 O ARG 3 10 37.304 1.791 7.781 1.00 0.00 O ATOM 933 CB ARG 3 10 40.328 1.259 6.816 1.00 0.00 C ATOM 934 CG ARG 3 10 40.479 0.333 8.018 1.00 0.00 C ATOM 935 CD ARG 3 10 40.230 1.121 9.307 1.00 0.00 C ATOM 936 NE ARG 3 10 40.919 0.344 10.374 1.00 0.00 N ATOM 937 CZ ARG 3 10 42.192 0.523 10.595 1.00 0.00 C ATOM 938 NH1 ARG 3 10 43.066 -0.306 10.092 1.00 0.00 N ATOM 939 NH2 ARG 3 10 42.593 1.533 11.318 1.00 0.00 N ATOM 0 H ARG 3 10 40.106 1.566 4.481 1.00 0.00 H new ATOM 0 HA ARG 3 10 38.543 0.066 6.387 1.00 0.00 H new ATOM 0 HB2 ARG 3 10 41.104 1.047 6.080 1.00 0.00 H new ATOM 0 HB3 ARG 3 10 40.455 2.297 7.124 1.00 0.00 H new ATOM 0 HG2 ARG 3 10 39.773 -0.494 7.943 1.00 0.00 H new ATOM 0 HG3 ARG 3 10 41.479 -0.101 8.032 1.00 0.00 H new ATOM 0 HD2 ARG 3 10 40.630 2.132 9.235 1.00 0.00 H new ATOM 0 HD3 ARG 3 10 39.164 1.214 9.513 1.00 0.00 H new ATOM 0 HE ARG 3 10 40.395 -0.329 10.933 1.00 0.00 H new ATOM 0 HH11 ARG 3 10 42.754 -1.095 9.526 1.00 0.00 H new ATOM 0 HH12 ARG 3 10 44.061 -0.165 10.265 1.00 0.00 H new ATOM 0 HH21 ARG 3 10 41.911 2.182 11.710 1.00 0.00 H new ATOM 0 HH22 ARG 3 10 43.588 1.673 11.491 1.00 0.00 H new ATOM 953 N ASP 3 11 37.801 3.204 6.176 1.00 0.00 N ATOM 954 CA ASP 3 11 36.838 4.213 6.712 1.00 0.00 C ATOM 955 C ASP 3 11 35.768 4.545 5.667 1.00 0.00 C ATOM 956 O ASP 3 11 34.671 4.949 5.998 1.00 0.00 O ATOM 957 CB ASP 3 11 37.690 5.446 7.017 1.00 0.00 C ATOM 958 CG ASP 3 11 39.121 5.012 7.336 1.00 0.00 C ATOM 959 OD1 ASP 3 11 39.964 5.130 6.464 1.00 0.00 O ATOM 960 OD2 ASP 3 11 39.350 4.569 8.450 1.00 0.00 O ATOM 0 H ASP 3 11 38.306 3.487 5.336 1.00 0.00 H new ATOM 0 HA ASP 3 11 36.311 3.849 7.594 1.00 0.00 H new ATOM 0 HB2 ASP 3 11 37.686 6.124 6.163 1.00 0.00 H new ATOM 0 HB3 ASP 3 11 37.268 5.993 7.860 1.00 0.00 H new ATOM 965 N LEU 3 12 36.078 4.384 4.411 1.00 0.00 N ATOM 966 CA LEU 3 12 35.078 4.697 3.350 1.00 0.00 C ATOM 967 C LEU 3 12 33.921 3.693 3.396 1.00 0.00 C ATOM 968 O LEU 3 12 34.124 2.527 3.670 1.00 0.00 O ATOM 969 CB LEU 3 12 35.839 4.554 2.031 1.00 0.00 C ATOM 970 CG LEU 3 12 36.565 5.857 1.678 1.00 0.00 C ATOM 971 CD1 LEU 3 12 35.665 6.727 0.806 1.00 0.00 C ATOM 972 CD2 LEU 3 12 36.956 6.616 2.953 1.00 0.00 C ATOM 0 H LEU 3 12 36.980 4.049 4.072 1.00 0.00 H new ATOM 0 HA LEU 3 12 34.649 5.691 3.475 1.00 0.00 H new ATOM 0 HB2 LEU 3 12 36.560 3.740 2.108 1.00 0.00 H new ATOM 0 HB3 LEU 3 12 35.145 4.291 1.232 1.00 0.00 H new ATOM 0 HG LEU 3 12 37.474 5.615 1.128 1.00 0.00 H new ATOM 0 HD11 LEU 3 12 36.184 7.652 0.557 1.00 0.00 H new ATOM 0 HD12 LEU 3 12 35.418 6.191 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU 3 12 34.748 6.960 1.348 1.00 0.00 H new ATOM 0 HD21 LEU 3 12 37.470 7.539 2.684 1.00 0.00 H new ATOM 0 HD22 LEU 3 12 36.059 6.854 3.524 1.00 0.00 H new ATOM 0 HD23 LEU 3 12 37.617 5.995 3.558 1.00 0.00 H new ATOM 984 N PRO 3 13 32.743 4.183 3.114 1.00 0.00 N ATOM 985 CA PRO 3 13 31.539 3.316 3.109 1.00 0.00 C ATOM 986 C PRO 3 13 31.557 2.442 1.859 1.00 0.00 C ATOM 987 O PRO 3 13 32.405 2.606 1.006 1.00 0.00 O ATOM 988 CB PRO 3 13 30.387 4.312 3.018 1.00 0.00 C ATOM 989 CG PRO 3 13 30.980 5.507 2.351 1.00 0.00 C ATOM 990 CD PRO 3 13 32.420 5.573 2.777 1.00 0.00 C ATOM 0 HA PRO 3 13 31.472 2.659 3.976 1.00 0.00 H new ATOM 0 HB2 PRO 3 13 29.556 3.906 2.441 1.00 0.00 H new ATOM 0 HB3 PRO 3 13 29.998 4.561 4.005 1.00 0.00 H new ATOM 0 HG2 PRO 3 13 30.901 5.423 1.267 1.00 0.00 H new ATOM 0 HG3 PRO 3 13 30.449 6.414 2.640 1.00 0.00 H new ATOM 0 HD2 PRO 3 13 33.058 5.951 1.978 1.00 0.00 H new ATOM 0 HD3 PRO 3 13 32.555 6.235 3.632 1.00 0.00 H new ATOM 998 N PRO 3 14 30.606 1.559 1.771 1.00 0.00 N ATOM 999 CA PRO 3 14 30.515 0.688 0.582 1.00 0.00 C ATOM 1000 C PRO 3 14 30.059 1.513 -0.625 1.00 0.00 C ATOM 1001 O PRO 3 14 29.335 2.477 -0.488 1.00 0.00 O ATOM 1002 CB PRO 3 14 29.467 -0.351 0.975 1.00 0.00 C ATOM 1003 CG PRO 3 14 28.639 0.317 2.025 1.00 0.00 C ATOM 1004 CD PRO 3 14 29.544 1.284 2.746 1.00 0.00 C ATOM 0 HA PRO 3 14 31.462 0.228 0.300 1.00 0.00 H new ATOM 0 HB2 PRO 3 14 28.859 -0.643 0.119 1.00 0.00 H new ATOM 0 HB3 PRO 3 14 29.934 -1.258 1.358 1.00 0.00 H new ATOM 0 HG2 PRO 3 14 27.794 0.840 1.576 1.00 0.00 H new ATOM 0 HG3 PRO 3 14 28.228 -0.417 2.718 1.00 0.00 H new ATOM 0 HD2 PRO 3 14 29.014 2.194 3.028 1.00 0.00 H new ATOM 0 HD3 PRO 3 14 29.944 0.851 3.663 1.00 0.00 H new ATOM 1012 N ASN 3 15 30.492 1.136 -1.799 1.00 0.00 N ATOM 1013 CA ASN 3 15 30.114 1.873 -3.048 1.00 0.00 C ATOM 1014 C ASN 3 15 30.829 3.229 -3.123 1.00 0.00 C ATOM 1015 O ASN 3 15 30.335 4.167 -3.717 1.00 0.00 O ATOM 1016 CB ASN 3 15 28.592 2.061 -2.992 1.00 0.00 C ATOM 1017 CG ASN 3 15 27.931 0.786 -2.461 1.00 0.00 C ATOM 1018 OD1 ASN 3 15 28.466 -0.295 -2.609 1.00 0.00 O ATOM 1019 ND2 ASN 3 15 26.787 0.869 -1.841 1.00 0.00 N ATOM 0 H ASN 3 15 31.103 0.334 -1.951 1.00 0.00 H new ATOM 0 HA ASN 3 15 30.410 1.316 -3.937 1.00 0.00 H new ATOM 0 HB2 ASN 3 15 28.344 2.905 -2.349 1.00 0.00 H new ATOM 0 HB3 ASN 3 15 28.208 2.294 -3.985 1.00 0.00 H new ATOM 0 HD21 ASN 3 15 26.340 0.026 -1.480 1.00 0.00 H new ATOM 0 HD22 ASN 3 15 26.339 1.777 -1.717 1.00 0.00 H new ATOM 1026 N LEU 3 16 31.997 3.332 -2.548 1.00 0.00 N ATOM 1027 CA LEU 3 16 32.752 4.620 -2.611 1.00 0.00 C ATOM 1028 C LEU 3 16 34.256 4.340 -2.652 1.00 0.00 C ATOM 1029 O LEU 3 16 34.821 3.785 -1.730 1.00 0.00 O ATOM 1030 CB LEU 3 16 32.382 5.384 -1.339 1.00 0.00 C ATOM 1031 CG LEU 3 16 32.515 6.893 -1.588 1.00 0.00 C ATOM 1032 CD1 LEU 3 16 33.864 7.199 -2.249 1.00 0.00 C ATOM 1033 CD2 LEU 3 16 31.387 7.360 -2.509 1.00 0.00 C ATOM 0 H LEU 3 16 32.462 2.581 -2.037 1.00 0.00 H new ATOM 0 HA LEU 3 16 32.504 5.194 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU 3 16 31.361 5.143 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU 3 16 33.033 5.082 -0.519 1.00 0.00 H new ATOM 0 HG LEU 3 16 32.454 7.416 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU 3 16 33.949 8.272 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU 3 16 34.672 6.871 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU 3 16 33.931 6.672 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU 3 16 31.482 8.431 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU 3 16 31.449 6.829 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU 3 16 30.425 7.153 -2.040 1.00 0.00 H new ATOM 1045 N TYR 3 17 34.906 4.717 -3.717 1.00 0.00 N ATOM 1046 CA TYR 3 17 36.372 4.472 -3.829 1.00 0.00 C ATOM 1047 C TYR 3 17 37.078 5.731 -4.339 1.00 0.00 C ATOM 1048 O TYR 3 17 36.465 6.606 -4.918 1.00 0.00 O ATOM 1049 CB TYR 3 17 36.508 3.326 -4.829 1.00 0.00 C ATOM 1050 CG TYR 3 17 35.722 2.137 -4.332 1.00 0.00 C ATOM 1051 CD1 TYR 3 17 36.173 1.416 -3.219 1.00 0.00 C ATOM 1052 CD2 TYR 3 17 34.541 1.758 -4.980 1.00 0.00 C ATOM 1053 CE1 TYR 3 17 35.441 0.316 -2.756 1.00 0.00 C ATOM 1054 CE2 TYR 3 17 33.810 0.658 -4.518 1.00 0.00 C ATOM 1055 CZ TYR 3 17 34.261 -0.064 -3.405 1.00 0.00 C ATOM 1056 OH TYR 3 17 33.539 -1.147 -2.948 1.00 0.00 O ATOM 0 H TYR 3 17 34.484 5.186 -4.518 1.00 0.00 H new ATOM 0 HA TYR 3 17 36.827 4.224 -2.870 1.00 0.00 H new ATOM 0 HB2 TYR 3 17 36.141 3.636 -5.808 1.00 0.00 H new ATOM 0 HB3 TYR 3 17 37.557 3.058 -4.952 1.00 0.00 H new ATOM 0 HD1 TYR 3 17 37.084 1.708 -2.719 1.00 0.00 H new ATOM 0 HD2 TYR 3 17 34.193 2.315 -5.837 1.00 0.00 H new ATOM 0 HE1 TYR 3 17 35.787 -0.240 -1.897 1.00 0.00 H new ATOM 0 HE2 TYR 3 17 32.899 0.366 -5.019 1.00 0.00 H new ATOM 0 HH TYR 3 17 32.588 -1.012 -3.143 1.00 0.00 H new ATOM 1066 N ILE 3 18 38.361 5.835 -4.120 1.00 0.00 N ATOM 1067 CA ILE 3 18 39.097 7.044 -4.586 1.00 0.00 C ATOM 1068 C ILE 3 18 39.946 6.707 -5.814 1.00 0.00 C ATOM 1069 O ILE 3 18 40.520 5.641 -5.917 1.00 0.00 O ATOM 1070 CB ILE 3 18 39.983 7.443 -3.404 1.00 0.00 C ATOM 1071 CG1 ILE 3 18 39.974 8.969 -3.246 1.00 0.00 C ATOM 1072 CG2 ILE 3 18 41.415 6.958 -3.636 1.00 0.00 C ATOM 1073 CD1 ILE 3 18 40.618 9.637 -4.468 1.00 0.00 C ATOM 0 H ILE 3 18 38.929 5.137 -3.640 1.00 0.00 H new ATOM 0 HA ILE 3 18 38.427 7.851 -4.882 1.00 0.00 H new ATOM 0 HB ILE 3 18 39.595 6.982 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE 3 18 38.950 9.323 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE 3 18 40.515 9.251 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE 3 18 42.038 7.246 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE 3 18 41.420 5.873 -3.737 1.00 0.00 H new ATOM 0 HG23 ILE 3 18 41.809 7.409 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE 3 18 40.604 10.719 -4.341 1.00 0.00 H new ATOM 0 HD12 ILE 3 18 41.649 9.297 -4.568 1.00 0.00 H new ATOM 0 HD13 ILE 3 18 40.059 9.370 -5.365 1.00 0.00 H new ATOM 1085 N ARG 3 19 40.027 7.615 -6.746 1.00 0.00 N ATOM 1086 CA ARG 3 19 40.829 7.374 -7.971 1.00 0.00 C ATOM 1087 C ARG 3 19 42.251 7.852 -7.739 1.00 0.00 C ATOM 1088 O ARG 3 19 42.624 8.210 -6.639 1.00 0.00 O ATOM 1089 CB ARG 3 19 40.148 8.203 -9.061 1.00 0.00 C ATOM 1090 CG ARG 3 19 38.825 7.542 -9.450 1.00 0.00 C ATOM 1091 CD ARG 3 19 39.107 6.222 -10.171 1.00 0.00 C ATOM 1092 NE ARG 3 19 38.192 5.232 -9.539 1.00 0.00 N ATOM 1093 CZ ARG 3 19 38.586 4.558 -8.493 1.00 0.00 C ATOM 1094 NH1 ARG 3 19 37.988 4.724 -7.346 1.00 0.00 N ATOM 1095 NH2 ARG 3 19 39.581 3.720 -8.596 1.00 0.00 N ATOM 0 H ARG 3 19 39.565 8.524 -6.708 1.00 0.00 H new ATOM 0 HA ARG 3 19 40.880 6.320 -8.246 1.00 0.00 H new ATOM 0 HB2 ARG 3 19 39.969 9.217 -8.704 1.00 0.00 H new ATOM 0 HB3 ARG 3 19 40.798 8.282 -9.933 1.00 0.00 H new ATOM 0 HG2 ARG 3 19 38.221 7.361 -8.561 1.00 0.00 H new ATOM 0 HG3 ARG 3 19 38.250 8.206 -10.096 1.00 0.00 H new ATOM 0 HD2 ARG 3 19 38.916 6.308 -11.241 1.00 0.00 H new ATOM 0 HD3 ARG 3 19 40.149 5.925 -10.056 1.00 0.00 H new ATOM 0 HE ARG 3 19 37.259 5.081 -9.923 1.00 0.00 H new ATOM 0 HH11 ARG 3 19 37.212 5.381 -7.266 1.00 0.00 H new ATOM 0 HH12 ARG 3 19 38.296 4.197 -6.529 1.00 0.00 H new ATOM 0 HH21 ARG 3 19 40.050 3.592 -9.493 1.00 0.00 H new ATOM 0 HH22 ARG 3 19 39.890 3.193 -7.780 1.00 0.00 H new ATOM 1109 N ASN 3 20 43.049 7.869 -8.757 1.00 0.00 N ATOM 1110 CA ASN 3 20 44.440 8.333 -8.569 1.00 0.00 C ATOM 1111 C ASN 3 20 44.477 9.864 -8.586 1.00 0.00 C ATOM 1112 O ASN 3 20 45.415 10.478 -8.118 1.00 0.00 O ATOM 1113 CB ASN 3 20 45.214 7.756 -9.755 1.00 0.00 C ATOM 1114 CG ASN 3 20 45.076 6.232 -9.772 1.00 0.00 C ATOM 1115 OD1 ASN 3 20 44.619 5.639 -8.814 1.00 0.00 O ATOM 1116 ND2 ASN 3 20 45.453 5.566 -10.833 1.00 0.00 N ATOM 0 H ASN 3 20 42.802 7.584 -9.705 1.00 0.00 H new ATOM 0 HA ASN 3 20 44.867 8.012 -7.619 1.00 0.00 H new ATOM 0 HB2 ASN 3 20 44.835 8.175 -10.687 1.00 0.00 H new ATOM 0 HB3 ASN 3 20 46.266 8.034 -9.685 1.00 0.00 H new ATOM 0 HD21 ASN 3 20 45.363 4.550 -10.856 1.00 0.00 H new ATOM 0 HD22 ASN 3 20 45.836 6.063 -11.637 1.00 0.00 H new ATOM 1123 N ASN 3 21 43.454 10.487 -9.117 1.00 0.00 N ATOM 1124 CA ASN 3 21 43.422 11.976 -9.155 1.00 0.00 C ATOM 1125 C ASN 3 21 42.905 12.553 -7.833 1.00 0.00 C ATOM 1126 O ASN 3 21 42.580 13.721 -7.744 1.00 0.00 O ATOM 1127 CB ASN 3 21 42.473 12.322 -10.303 1.00 0.00 C ATOM 1128 CG ASN 3 21 42.849 11.505 -11.540 1.00 0.00 C ATOM 1129 OD1 ASN 3 21 41.994 10.936 -12.190 1.00 0.00 O ATOM 1130 ND2 ASN 3 21 44.102 11.423 -11.897 1.00 0.00 N ATOM 0 H ASN 3 21 42.641 10.026 -9.525 1.00 0.00 H new ATOM 0 HA ASN 3 21 44.417 12.397 -9.301 1.00 0.00 H new ATOM 0 HB2 ASN 3 21 41.443 12.111 -10.014 1.00 0.00 H new ATOM 0 HB3 ASN 3 21 42.529 13.387 -10.527 1.00 0.00 H new ATOM 0 HD21 ASN 3 21 44.363 10.882 -12.721 1.00 0.00 H new ATOM 0 HD22 ASN 3 21 44.820 11.900 -11.352 1.00 0.00 H new ATOM 1137 N GLY 3 22 42.821 11.754 -6.804 1.00 0.00 N ATOM 1138 CA GLY 3 22 42.322 12.275 -5.502 1.00 0.00 C ATOM 1139 C GLY 3 22 40.810 12.525 -5.591 1.00 0.00 C ATOM 1140 O GLY 3 22 40.242 13.228 -4.779 1.00 0.00 O ATOM 0 H GLY 3 22 43.076 10.766 -6.809 1.00 0.00 H new ATOM 0 HA2 GLY 3 22 42.536 11.561 -4.707 1.00 0.00 H new ATOM 0 HA3 GLY 3 22 42.839 13.200 -5.247 1.00 0.00 H new ATOM 1144 N TYR 3 23 40.155 11.958 -6.570 1.00 0.00 N ATOM 1145 CA TYR 3 23 38.682 12.166 -6.707 1.00 0.00 C ATOM 1146 C TYR 3 23 37.917 10.914 -6.266 1.00 0.00 C ATOM 1147 O TYR 3 23 38.222 9.814 -6.682 1.00 0.00 O ATOM 1148 CB TYR 3 23 38.463 12.420 -8.197 1.00 0.00 C ATOM 1149 CG TYR 3 23 37.473 13.545 -8.382 1.00 0.00 C ATOM 1150 CD1 TYR 3 23 37.925 14.817 -8.748 1.00 0.00 C ATOM 1151 CD2 TYR 3 23 36.104 13.315 -8.197 1.00 0.00 C ATOM 1152 CE1 TYR 3 23 37.011 15.858 -8.928 1.00 0.00 C ATOM 1153 CE2 TYR 3 23 35.188 14.357 -8.377 1.00 0.00 C ATOM 1154 CZ TYR 3 23 35.642 15.630 -8.744 1.00 0.00 C ATOM 1155 OH TYR 3 23 34.741 16.660 -8.920 1.00 0.00 O ATOM 0 H TYR 3 23 40.576 11.360 -7.281 1.00 0.00 H new ATOM 0 HA TYR 3 23 38.325 12.988 -6.087 1.00 0.00 H new ATOM 0 HB2 TYR 3 23 39.409 12.673 -8.675 1.00 0.00 H new ATOM 0 HB3 TYR 3 23 38.094 11.515 -8.680 1.00 0.00 H new ATOM 0 HD1 TYR 3 23 38.981 14.994 -8.891 1.00 0.00 H new ATOM 0 HD2 TYR 3 23 35.755 12.333 -7.915 1.00 0.00 H new ATOM 0 HE1 TYR 3 23 37.361 16.840 -9.210 1.00 0.00 H new ATOM 0 HE2 TYR 3 23 34.132 14.180 -8.233 1.00 0.00 H new ATOM 0 HH TYR 3 23 33.833 16.332 -8.754 1.00 0.00 H new ATOM 1165 N TYR 3 24 36.917 11.070 -5.442 1.00 0.00 N ATOM 1166 CA TYR 3 24 36.131 9.888 -5.000 1.00 0.00 C ATOM 1167 C TYR 3 24 34.979 9.645 -5.978 1.00 0.00 C ATOM 1168 O TYR 3 24 34.560 10.538 -6.687 1.00 0.00 O ATOM 1169 CB TYR 3 24 35.596 10.270 -3.622 1.00 0.00 C ATOM 1170 CG TYR 3 24 36.727 10.255 -2.623 1.00 0.00 C ATOM 1171 CD1 TYR 3 24 37.641 11.315 -2.586 1.00 0.00 C ATOM 1172 CD2 TYR 3 24 36.863 9.183 -1.734 1.00 0.00 C ATOM 1173 CE1 TYR 3 24 38.691 11.302 -1.659 1.00 0.00 C ATOM 1174 CE2 TYR 3 24 37.912 9.170 -0.808 1.00 0.00 C ATOM 1175 CZ TYR 3 24 38.826 10.230 -0.771 1.00 0.00 C ATOM 1176 OH TYR 3 24 39.860 10.217 0.144 1.00 0.00 O ATOM 0 H TYR 3 24 36.612 11.964 -5.057 1.00 0.00 H new ATOM 0 HA TYR 3 24 36.723 8.974 -4.965 1.00 0.00 H new ATOM 0 HB2 TYR 3 24 35.141 11.260 -3.658 1.00 0.00 H new ATOM 0 HB3 TYR 3 24 34.817 9.572 -3.316 1.00 0.00 H new ATOM 0 HD1 TYR 3 24 37.536 12.143 -3.272 1.00 0.00 H new ATOM 0 HD2 TYR 3 24 36.158 8.365 -1.763 1.00 0.00 H new ATOM 0 HE1 TYR 3 24 39.396 12.120 -1.630 1.00 0.00 H new ATOM 0 HE2 TYR 3 24 38.017 8.342 -0.122 1.00 0.00 H new ATOM 0 HH TYR 3 24 39.808 9.402 0.685 1.00 0.00 H new ATOM 1186 N CYS 3 25 34.466 8.448 -6.029 1.00 0.00 N ATOM 1187 CA CYS 3 25 33.342 8.160 -6.970 1.00 0.00 C ATOM 1188 C CYS 3 25 32.395 7.128 -6.354 1.00 0.00 C ATOM 1189 O CYS 3 25 32.782 6.341 -5.513 1.00 0.00 O ATOM 1190 CB CYS 3 25 34.003 7.588 -8.227 1.00 0.00 C ATOM 1191 SG CYS 3 25 35.129 8.812 -8.944 1.00 0.00 S ATOM 0 H CYS 3 25 34.773 7.657 -5.463 1.00 0.00 H new ATOM 0 HA CYS 3 25 32.753 9.051 -7.190 1.00 0.00 H new ATOM 0 HB2 CYS 3 25 34.551 6.679 -7.979 1.00 0.00 H new ATOM 0 HB3 CYS 3 25 33.241 7.312 -8.956 1.00 0.00 H new ATOM 0 HG CYS 3 25 34.973 9.952 -8.339 1.00 0.00 H new ATOM 1197 N TYR 3 26 31.155 7.123 -6.763 1.00 0.00 N ATOM 1198 CA TYR 3 26 30.191 6.137 -6.190 1.00 0.00 C ATOM 1199 C TYR 3 26 29.997 4.959 -7.149 1.00 0.00 C ATOM 1200 O TYR 3 26 29.532 5.121 -8.260 1.00 0.00 O ATOM 1201 CB TYR 3 26 28.881 6.905 -6.019 1.00 0.00 C ATOM 1202 CG TYR 3 26 27.809 5.955 -5.543 1.00 0.00 C ATOM 1203 CD1 TYR 3 26 26.824 5.509 -6.432 1.00 0.00 C ATOM 1204 CD2 TYR 3 26 27.803 5.516 -4.214 1.00 0.00 C ATOM 1205 CE1 TYR 3 26 25.833 4.623 -5.992 1.00 0.00 C ATOM 1206 CE2 TYR 3 26 26.811 4.632 -3.773 1.00 0.00 C ATOM 1207 CZ TYR 3 26 25.826 4.185 -4.662 1.00 0.00 C ATOM 1208 OH TYR 3 26 24.850 3.312 -4.228 1.00 0.00 O ATOM 0 H TYR 3 26 30.768 7.754 -7.465 1.00 0.00 H new ATOM 0 HA TYR 3 26 30.547 5.723 -5.246 1.00 0.00 H new ATOM 0 HB2 TYR 3 26 29.011 7.715 -5.301 1.00 0.00 H new ATOM 0 HB3 TYR 3 26 28.586 7.361 -6.964 1.00 0.00 H new ATOM 0 HD1 TYR 3 26 26.828 5.848 -7.457 1.00 0.00 H new ATOM 0 HD2 TYR 3 26 28.564 5.859 -3.529 1.00 0.00 H new ATOM 0 HE1 TYR 3 26 25.074 4.277 -6.678 1.00 0.00 H new ATOM 0 HE2 TYR 3 26 26.806 4.295 -2.747 1.00 0.00 H new ATOM 0 HH TYR 3 26 24.563 2.745 -4.974 1.00 0.00 H new ATOM 1218 N ARG 3 27 30.348 3.774 -6.727 1.00 0.00 N ATOM 1219 CA ARG 3 27 30.179 2.588 -7.616 1.00 0.00 C ATOM 1220 C ARG 3 27 28.779 1.991 -7.457 1.00 0.00 C ATOM 1221 O ARG 3 27 28.382 1.597 -6.378 1.00 0.00 O ATOM 1222 CB ARG 3 27 31.238 1.587 -7.156 1.00 0.00 C ATOM 1223 CG ARG 3 27 31.128 0.312 -7.995 1.00 0.00 C ATOM 1224 CD ARG 3 27 31.235 -0.913 -7.085 1.00 0.00 C ATOM 1225 NE ARG 3 27 29.887 -1.064 -6.474 1.00 0.00 N ATOM 1226 CZ ARG 3 27 29.745 -1.760 -5.379 1.00 0.00 C ATOM 1227 NH1 ARG 3 27 29.010 -2.837 -5.380 1.00 0.00 N ATOM 1228 NH2 ARG 3 27 30.341 -1.380 -4.282 1.00 0.00 N ATOM 0 H ARG 3 27 30.743 3.576 -5.808 1.00 0.00 H new ATOM 0 HA ARG 3 27 30.293 2.851 -8.668 1.00 0.00 H new ATOM 0 HB2 ARG 3 27 32.233 2.020 -7.260 1.00 0.00 H new ATOM 0 HB3 ARG 3 27 31.100 1.354 -6.100 1.00 0.00 H new ATOM 0 HG2 ARG 3 27 30.179 0.298 -8.530 1.00 0.00 H new ATOM 0 HG3 ARG 3 27 31.918 0.290 -8.746 1.00 0.00 H new ATOM 0 HD2 ARG 3 27 31.512 -1.802 -7.652 1.00 0.00 H new ATOM 0 HD3 ARG 3 27 32.000 -0.771 -6.321 1.00 0.00 H new ATOM 0 HE ARG 3 27 29.076 -0.625 -6.910 1.00 0.00 H new ATOM 0 HH11 ARG 3 27 28.545 -3.136 -6.237 1.00 0.00 H new ATOM 0 HH12 ARG 3 27 28.900 -3.380 -4.524 1.00 0.00 H new ATOM 0 HH21 ARG 3 27 30.918 -0.539 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG 3 27 30.230 -1.924 -3.426 1.00 0.00 H new ATOM 1242 N ASP 3 28 28.031 1.909 -8.523 1.00 0.00 N ATOM 1243 CA ASP 3 28 26.663 1.324 -8.428 1.00 0.00 C ATOM 1244 C ASP 3 28 26.759 -0.207 -8.372 1.00 0.00 C ATOM 1245 O ASP 3 28 27.521 -0.802 -9.108 1.00 0.00 O ATOM 1246 CB ASP 3 28 25.949 1.774 -9.702 1.00 0.00 C ATOM 1247 CG ASP 3 28 25.964 3.301 -9.784 1.00 0.00 C ATOM 1248 OD1 ASP 3 28 26.360 3.815 -10.817 1.00 0.00 O ATOM 1249 OD2 ASP 3 28 25.578 3.930 -8.813 1.00 0.00 O ATOM 0 H ASP 3 28 28.307 2.221 -9.454 1.00 0.00 H new ATOM 0 HA ASP 3 28 26.130 1.647 -7.534 1.00 0.00 H new ATOM 0 HB2 ASP 3 28 26.440 1.348 -10.577 1.00 0.00 H new ATOM 0 HB3 ASP 3 28 24.922 1.409 -9.704 1.00 0.00 H new ATOM 1254 N PRO 3 29 25.985 -0.799 -7.500 1.00 0.00 N ATOM 1255 CA PRO 3 29 26.000 -2.276 -7.357 1.00 0.00 C ATOM 1256 C PRO 3 29 25.260 -2.950 -8.519 1.00 0.00 C ATOM 1257 O PRO 3 29 25.265 -4.157 -8.649 1.00 0.00 O ATOM 1258 CB PRO 3 29 25.267 -2.513 -6.040 1.00 0.00 C ATOM 1259 CG PRO 3 29 24.386 -1.317 -5.858 1.00 0.00 C ATOM 1260 CD PRO 3 29 25.040 -0.163 -6.575 1.00 0.00 C ATOM 0 HA PRO 3 29 27.008 -2.691 -7.366 1.00 0.00 H new ATOM 0 HB2 PRO 3 29 24.681 -3.431 -6.076 1.00 0.00 H new ATOM 0 HB3 PRO 3 29 25.969 -2.614 -5.212 1.00 0.00 H new ATOM 0 HG2 PRO 3 29 23.392 -1.507 -6.263 1.00 0.00 H new ATOM 0 HG3 PRO 3 29 24.261 -1.090 -4.799 1.00 0.00 H new ATOM 0 HD2 PRO 3 29 24.306 0.441 -7.109 1.00 0.00 H new ATOM 0 HD3 PRO 3 29 25.552 0.500 -5.877 1.00 0.00 H new ATOM 1268 N ARG 3 30 24.628 -2.184 -9.364 1.00 0.00 N ATOM 1269 CA ARG 3 30 23.895 -2.780 -10.509 1.00 0.00 C ATOM 1270 C ARG 3 30 24.867 -3.061 -11.647 1.00 0.00 C ATOM 1271 O ARG 3 30 24.733 -4.027 -12.372 1.00 0.00 O ATOM 1272 CB ARG 3 30 22.870 -1.723 -10.915 1.00 0.00 C ATOM 1273 CG ARG 3 30 21.704 -1.734 -9.923 1.00 0.00 C ATOM 1274 CD ARG 3 30 22.184 -1.226 -8.558 1.00 0.00 C ATOM 1275 NE ARG 3 30 20.959 -0.711 -7.888 1.00 0.00 N ATOM 1276 CZ ARG 3 30 20.686 -1.065 -6.662 1.00 0.00 C ATOM 1277 NH1 ARG 3 30 20.644 -2.330 -6.342 1.00 0.00 N ATOM 1278 NH2 ARG 3 30 20.453 -0.155 -5.757 1.00 0.00 N ATOM 0 H ARG 3 30 24.589 -1.166 -9.308 1.00 0.00 H new ATOM 0 HA ARG 3 30 23.415 -3.726 -10.257 1.00 0.00 H new ATOM 0 HB2 ARG 3 30 23.336 -0.738 -10.934 1.00 0.00 H new ATOM 0 HB3 ARG 3 30 22.506 -1.923 -11.923 1.00 0.00 H new ATOM 0 HG2 ARG 3 30 20.894 -1.105 -10.292 1.00 0.00 H new ATOM 0 HG3 ARG 3 30 21.305 -2.744 -9.827 1.00 0.00 H new ATOM 0 HD2 ARG 3 30 22.644 -2.026 -7.978 1.00 0.00 H new ATOM 0 HD3 ARG 3 30 22.933 -0.442 -8.669 1.00 0.00 H new ATOM 0 HE ARG 3 30 20.332 -0.081 -8.388 1.00 0.00 H new ATOM 0 HH11 ARG 3 30 20.825 -3.041 -7.050 1.00 0.00 H new ATOM 0 HH12 ARG 3 30 20.431 -2.607 -5.384 1.00 0.00 H new ATOM 0 HH21 ARG 3 30 20.484 0.833 -6.008 1.00 0.00 H new ATOM 0 HH22 ARG 3 30 20.240 -0.432 -4.799 1.00 0.00 H new ATOM 1292 N THR 3 31 25.845 -2.215 -11.816 1.00 0.00 N ATOM 1293 CA THR 3 31 26.818 -2.432 -12.918 1.00 0.00 C ATOM 1294 C THR 3 31 28.266 -2.311 -12.424 1.00 0.00 C ATOM 1295 O THR 3 31 29.177 -2.838 -13.030 1.00 0.00 O ATOM 1296 CB THR 3 31 26.510 -1.337 -13.940 1.00 0.00 C ATOM 1297 OG1 THR 3 31 26.543 -0.069 -13.298 1.00 0.00 O ATOM 1298 CG2 THR 3 31 25.123 -1.570 -14.541 1.00 0.00 C ATOM 0 H THR 3 31 26.011 -1.388 -11.242 1.00 0.00 H new ATOM 0 HA THR 3 31 26.725 -3.433 -13.338 1.00 0.00 H new ATOM 0 HB THR 3 31 27.256 -1.363 -14.735 1.00 0.00 H new ATOM 0 HG1 THR 3 31 26.347 0.634 -13.952 1.00 0.00 H new ATOM 0 HG21 THR 3 31 24.906 -0.788 -15.269 1.00 0.00 H new ATOM 0 HG22 THR 3 31 25.099 -2.542 -15.034 1.00 0.00 H new ATOM 0 HG23 THR 3 31 24.375 -1.546 -13.749 1.00 0.00 H new ATOM 1306 N GLY 3 32 28.496 -1.622 -11.340 1.00 0.00 N ATOM 1307 CA GLY 3 32 29.891 -1.479 -10.837 1.00 0.00 C ATOM 1308 C GLY 3 32 30.551 -0.242 -11.462 1.00 0.00 C ATOM 1309 O GLY 3 32 31.696 0.058 -11.193 1.00 0.00 O ATOM 0 H GLY 3 32 27.781 -1.154 -10.783 1.00 0.00 H new ATOM 0 HA2 GLY 3 32 29.887 -1.389 -9.751 1.00 0.00 H new ATOM 0 HA3 GLY 3 32 30.468 -2.371 -11.081 1.00 0.00 H new ATOM 1313 N LYS 3 33 29.838 0.487 -12.283 1.00 0.00 N ATOM 1314 CA LYS 3 33 30.434 1.705 -12.902 1.00 0.00 C ATOM 1315 C LYS 3 33 30.420 2.837 -11.880 1.00 0.00 C ATOM 1316 O LYS 3 33 29.995 2.638 -10.761 1.00 0.00 O ATOM 1317 CB LYS 3 33 29.568 2.001 -14.121 1.00 0.00 C ATOM 1318 CG LYS 3 33 30.375 1.660 -15.362 1.00 0.00 C ATOM 1319 CD LYS 3 33 30.935 0.252 -15.200 1.00 0.00 C ATOM 1320 CE LYS 3 33 30.671 -0.523 -16.477 1.00 0.00 C ATOM 1321 NZ LYS 3 33 30.606 -1.951 -16.058 1.00 0.00 N ATOM 0 H LYS 3 33 28.873 0.291 -12.549 1.00 0.00 H new ATOM 0 HA LYS 3 33 31.473 1.578 -13.206 1.00 0.00 H new ATOM 0 HB2 LYS 3 33 28.651 1.413 -14.089 1.00 0.00 H new ATOM 0 HB3 LYS 3 33 29.274 3.050 -14.134 1.00 0.00 H new ATOM 0 HG2 LYS 3 33 29.747 1.718 -16.251 1.00 0.00 H new ATOM 0 HG3 LYS 3 33 31.185 2.377 -15.497 1.00 0.00 H new ATOM 0 HD2 LYS 3 33 32.005 0.291 -14.996 1.00 0.00 H new ATOM 0 HD3 LYS 3 33 30.467 -0.246 -14.351 1.00 0.00 H new ATOM 0 HE2 LYS 3 33 29.739 -0.207 -16.945 1.00 0.00 H new ATOM 0 HE3 LYS 3 33 31.464 -0.362 -17.207 1.00 0.00 H new ATOM 0 HZ1 LYS 3 33 30.426 -2.549 -16.890 1.00 0.00 H new ATOM 0 HZ2 LYS 3 33 31.509 -2.227 -15.623 1.00 0.00 H new ATOM 0 HZ3 LYS 3 33 29.837 -2.076 -15.369 1.00 0.00 H new ATOM 1335 N GLU 3 34 30.912 4.008 -12.201 1.00 0.00 N ATOM 1336 CA GLU 3 34 30.929 5.056 -11.143 1.00 0.00 C ATOM 1337 C GLU 3 34 30.681 6.453 -11.696 1.00 0.00 C ATOM 1338 O GLU 3 34 30.598 6.675 -12.887 1.00 0.00 O ATOM 1339 CB GLU 3 34 32.341 4.985 -10.557 1.00 0.00 C ATOM 1340 CG GLU 3 34 32.458 3.790 -9.610 1.00 0.00 C ATOM 1341 CD GLU 3 34 33.934 3.538 -9.295 1.00 0.00 C ATOM 1342 OE1 GLU 3 34 34.765 4.243 -9.844 1.00 0.00 O ATOM 1343 OE2 GLU 3 34 34.209 2.644 -8.512 1.00 0.00 O ATOM 0 H GLU 3 34 31.287 4.275 -13.111 1.00 0.00 H new ATOM 0 HA GLU 3 34 30.139 4.879 -10.414 1.00 0.00 H new ATOM 0 HB2 GLU 3 34 33.072 4.895 -11.360 1.00 0.00 H new ATOM 0 HB3 GLU 3 34 32.568 5.907 -10.021 1.00 0.00 H new ATOM 0 HG2 GLU 3 34 31.906 3.984 -8.690 1.00 0.00 H new ATOM 0 HG3 GLU 3 34 32.015 2.905 -10.066 1.00 0.00 H new ATOM 1350 N PHE 3 35 30.577 7.397 -10.804 1.00 0.00 N ATOM 1351 CA PHE 3 35 30.353 8.806 -11.203 1.00 0.00 C ATOM 1352 C PHE 3 35 31.101 9.716 -10.224 1.00 0.00 C ATOM 1353 O PHE 3 35 31.008 9.549 -9.022 1.00 0.00 O ATOM 1354 CB PHE 3 35 28.842 9.012 -11.092 1.00 0.00 C ATOM 1355 CG PHE 3 35 28.143 8.115 -12.084 1.00 0.00 C ATOM 1356 CD1 PHE 3 35 28.431 8.230 -13.447 1.00 0.00 C ATOM 1357 CD2 PHE 3 35 27.210 7.169 -11.644 1.00 0.00 C ATOM 1358 CE1 PHE 3 35 27.790 7.401 -14.371 1.00 0.00 C ATOM 1359 CE2 PHE 3 35 26.567 6.337 -12.568 1.00 0.00 C ATOM 1360 CZ PHE 3 35 26.857 6.453 -13.933 1.00 0.00 C ATOM 0 H PHE 3 35 30.640 7.244 -9.797 1.00 0.00 H new ATOM 0 HA PHE 3 35 30.710 9.034 -12.207 1.00 0.00 H new ATOM 0 HB2 PHE 3 35 28.506 8.786 -10.080 1.00 0.00 H new ATOM 0 HB3 PHE 3 35 28.590 10.055 -11.286 1.00 0.00 H new ATOM 0 HD1 PHE 3 35 29.150 8.961 -13.786 1.00 0.00 H new ATOM 0 HD2 PHE 3 35 26.986 7.081 -10.591 1.00 0.00 H new ATOM 0 HE1 PHE 3 35 28.014 7.491 -15.424 1.00 0.00 H new ATOM 0 HE2 PHE 3 35 25.848 5.606 -12.228 1.00 0.00 H new ATOM 0 HZ PHE 3 35 26.362 5.812 -14.647 1.00 0.00 H new ATOM 1370 N GLY 3 36 31.853 10.662 -10.721 1.00 0.00 N ATOM 1371 CA GLY 3 36 32.616 11.565 -9.813 1.00 0.00 C ATOM 1372 C GLY 3 36 31.700 12.092 -8.706 1.00 0.00 C ATOM 1373 O GLY 3 36 30.738 12.789 -8.961 1.00 0.00 O ATOM 0 H GLY 3 36 31.971 10.848 -11.717 1.00 0.00 H new ATOM 0 HA2 GLY 3 36 33.457 11.027 -9.375 1.00 0.00 H new ATOM 0 HA3 GLY 3 36 33.031 12.398 -10.380 1.00 0.00 H new ATOM 1377 N LEU 3 37 31.999 11.771 -7.476 1.00 0.00 N ATOM 1378 CA LEU 3 37 31.154 12.260 -6.348 1.00 0.00 C ATOM 1379 C LEU 3 37 31.666 13.621 -5.879 1.00 0.00 C ATOM 1380 O LEU 3 37 31.039 14.640 -6.093 1.00 0.00 O ATOM 1381 CB LEU 3 37 31.319 11.215 -5.245 1.00 0.00 C ATOM 1382 CG LEU 3 37 29.945 10.673 -4.852 1.00 0.00 C ATOM 1383 CD1 LEU 3 37 30.083 9.751 -3.639 1.00 0.00 C ATOM 1384 CD2 LEU 3 37 29.019 11.840 -4.500 1.00 0.00 C ATOM 0 H LEU 3 37 32.792 11.191 -7.203 1.00 0.00 H new ATOM 0 HA LEU 3 37 30.109 12.385 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU 3 37 31.958 10.402 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU 3 37 31.809 11.659 -4.378 1.00 0.00 H new ATOM 0 HG LEU 3 37 29.526 10.112 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU 3 37 29.102 9.366 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU 3 37 30.742 8.919 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU 3 37 30.504 10.310 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU 3 37 28.039 11.455 -4.220 1.00 0.00 H new ATOM 0 HD22 LEU 3 37 29.441 12.400 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU 3 37 28.917 12.497 -5.364 1.00 0.00 H new ATOM 1396 N GLY 3 38 32.804 13.644 -5.250 1.00 0.00 N ATOM 1397 CA GLY 3 38 33.365 14.937 -4.775 1.00 0.00 C ATOM 1398 C GLY 3 38 34.860 14.769 -4.513 1.00 0.00 C ATOM 1399 O GLY 3 38 35.345 13.673 -4.314 1.00 0.00 O ATOM 0 H GLY 3 38 33.372 12.822 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY 3 38 33.199 15.715 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY 3 38 32.857 15.255 -3.864 1.00 0.00 H new ATOM 1403 N ARG 3 39 35.594 15.844 -4.505 1.00 0.00 N ATOM 1404 CA ARG 3 39 37.057 15.736 -4.245 1.00 0.00 C ATOM 1405 C ARG 3 39 37.312 15.741 -2.735 1.00 0.00 C ATOM 1406 O ARG 3 39 38.382 15.396 -2.275 1.00 0.00 O ATOM 1407 CB ARG 3 39 37.692 16.968 -4.894 1.00 0.00 C ATOM 1408 CG ARG 3 39 36.962 17.324 -6.194 1.00 0.00 C ATOM 1409 CD ARG 3 39 36.117 18.582 -5.972 1.00 0.00 C ATOM 1410 NE ARG 3 39 34.770 18.246 -6.508 1.00 0.00 N ATOM 1411 CZ ARG 3 39 33.943 19.200 -6.838 1.00 0.00 C ATOM 1412 NH1 ARG 3 39 33.713 20.180 -6.007 1.00 0.00 N ATOM 1413 NH2 ARG 3 39 33.346 19.175 -7.997 1.00 0.00 N ATOM 0 H ARG 3 39 35.248 16.790 -4.666 1.00 0.00 H new ATOM 0 HA ARG 3 39 37.476 14.815 -4.650 1.00 0.00 H new ATOM 0 HB2 ARG 3 39 37.652 17.811 -4.205 1.00 0.00 H new ATOM 0 HB3 ARG 3 39 38.745 16.776 -5.102 1.00 0.00 H new ATOM 0 HG2 ARG 3 39 37.682 17.492 -6.995 1.00 0.00 H new ATOM 0 HG3 ARG 3 39 36.326 16.495 -6.506 1.00 0.00 H new ATOM 0 HD2 ARG 3 39 36.067 18.841 -4.914 1.00 0.00 H new ATOM 0 HD3 ARG 3 39 36.544 19.440 -6.491 1.00 0.00 H new ATOM 0 HE ARG 3 39 34.493 17.270 -6.617 1.00 0.00 H new ATOM 0 HH11 ARG 3 39 34.180 20.200 -5.100 1.00 0.00 H new ATOM 0 HH12 ARG 3 39 33.067 20.926 -6.264 1.00 0.00 H new ATOM 0 HH21 ARG 3 39 33.525 18.409 -8.647 1.00 0.00 H new ATOM 0 HH22 ARG 3 39 32.700 19.921 -8.254 1.00 0.00 H new ATOM 1427 N ASP 3 40 36.329 16.119 -1.958 1.00 0.00 N ATOM 1428 CA ASP 3 40 36.513 16.130 -0.481 1.00 0.00 C ATOM 1429 C ASP 3 40 36.325 14.716 0.066 1.00 0.00 C ATOM 1430 O ASP 3 40 35.604 13.909 -0.487 1.00 0.00 O ATOM 1431 CB ASP 3 40 35.438 17.081 0.046 1.00 0.00 C ATOM 1432 CG ASP 3 40 36.006 18.500 0.117 1.00 0.00 C ATOM 1433 OD1 ASP 3 40 35.258 19.429 -0.140 1.00 0.00 O ATOM 1434 OD2 ASP 3 40 37.178 18.633 0.427 1.00 0.00 O ATOM 0 H ASP 3 40 35.410 16.419 -2.284 1.00 0.00 H new ATOM 0 HA ASP 3 40 37.508 16.456 -0.178 1.00 0.00 H new ATOM 0 HB2 ASP 3 40 34.565 17.059 -0.607 1.00 0.00 H new ATOM 0 HB3 ASP 3 40 35.106 16.761 1.033 1.00 0.00 H new ATOM 1439 N ARG 3 41 36.987 14.414 1.139 1.00 0.00 N ATOM 1440 CA ARG 3 41 36.885 13.054 1.737 1.00 0.00 C ATOM 1441 C ARG 3 41 35.577 12.912 2.509 1.00 0.00 C ATOM 1442 O ARG 3 41 34.820 11.986 2.305 1.00 0.00 O ATOM 1443 CB ARG 3 41 38.081 12.956 2.684 1.00 0.00 C ATOM 1444 CG ARG 3 41 38.624 11.526 2.682 1.00 0.00 C ATOM 1445 CD ARG 3 41 38.647 10.989 4.115 1.00 0.00 C ATOM 1446 NE ARG 3 41 39.760 10.000 4.138 1.00 0.00 N ATOM 1447 CZ ARG 3 41 39.630 8.888 4.808 1.00 0.00 C ATOM 1448 NH1 ARG 3 41 39.515 8.920 6.108 1.00 0.00 N ATOM 1449 NH2 ARG 3 41 39.615 7.745 4.179 1.00 0.00 N ATOM 0 H ARG 3 41 37.603 15.056 1.637 1.00 0.00 H new ATOM 0 HA ARG 3 41 36.892 12.267 0.983 1.00 0.00 H new ATOM 0 HB2 ARG 3 41 38.861 13.652 2.374 1.00 0.00 H new ATOM 0 HB3 ARG 3 41 37.783 13.241 3.693 1.00 0.00 H new ATOM 0 HG2 ARG 3 41 38.001 10.890 2.053 1.00 0.00 H new ATOM 0 HG3 ARG 3 41 39.628 11.507 2.259 1.00 0.00 H new ATOM 0 HD2 ARG 3 41 38.816 11.790 4.834 1.00 0.00 H new ATOM 0 HD3 ARG 3 41 37.698 10.521 4.377 1.00 0.00 H new ATOM 0 HE ARG 3 41 40.624 10.192 3.630 1.00 0.00 H new ATOM 0 HH11 ARG 3 41 39.527 9.814 6.599 1.00 0.00 H new ATOM 0 HH12 ARG 3 41 39.413 8.051 6.633 1.00 0.00 H new ATOM 0 HH21 ARG 3 41 39.705 7.721 3.163 1.00 0.00 H new ATOM 0 HH22 ARG 3 41 39.513 6.876 4.703 1.00 0.00 H new ATOM 1463 N ARG 3 42 35.306 13.828 3.390 1.00 0.00 N ATOM 1464 CA ARG 3 42 34.043 13.746 4.176 1.00 0.00 C ATOM 1465 C ARG 3 42 32.845 13.915 3.245 1.00 0.00 C ATOM 1466 O ARG 3 42 31.757 13.456 3.525 1.00 0.00 O ATOM 1467 CB ARG 3 42 34.118 14.905 5.169 1.00 0.00 C ATOM 1468 CG ARG 3 42 33.867 16.224 4.435 1.00 0.00 C ATOM 1469 CD ARG 3 42 34.033 17.392 5.407 1.00 0.00 C ATOM 1470 NE ARG 3 42 32.943 18.344 5.053 1.00 0.00 N ATOM 1471 CZ ARG 3 42 32.075 18.708 5.958 1.00 0.00 C ATOM 1472 NH1 ARG 3 42 30.875 18.194 5.955 1.00 0.00 N ATOM 1473 NH2 ARG 3 42 32.407 19.586 6.863 1.00 0.00 N ATOM 0 H ARG 3 42 35.901 14.629 3.602 1.00 0.00 H new ATOM 0 HA ARG 3 42 33.927 12.787 4.682 1.00 0.00 H new ATOM 0 HB2 ARG 3 42 33.379 14.770 5.958 1.00 0.00 H new ATOM 0 HB3 ARG 3 42 35.097 14.924 5.649 1.00 0.00 H new ATOM 0 HG2 ARG 3 42 34.565 16.328 3.604 1.00 0.00 H new ATOM 0 HG3 ARG 3 42 32.863 16.230 4.011 1.00 0.00 H new ATOM 0 HD2 ARG 3 42 33.947 17.060 6.442 1.00 0.00 H new ATOM 0 HD3 ARG 3 42 35.013 17.857 5.302 1.00 0.00 H new ATOM 0 HE ARG 3 42 32.875 18.711 4.104 1.00 0.00 H new ATOM 0 HH11 ARG 3 42 30.616 17.508 5.246 1.00 0.00 H new ATOM 0 HH12 ARG 3 42 30.197 18.478 6.662 1.00 0.00 H new ATOM 0 HH21 ARG 3 42 33.344 19.988 6.864 1.00 0.00 H new ATOM 0 HH22 ARG 3 42 31.729 19.871 7.570 1.00 0.00 H new ATOM 1487 N ILE 3 43 33.043 14.583 2.148 1.00 0.00 N ATOM 1488 CA ILE 3 43 31.931 14.809 1.185 1.00 0.00 C ATOM 1489 C ILE 3 43 31.589 13.534 0.403 1.00 0.00 C ATOM 1490 O ILE 3 43 30.501 13.004 0.509 1.00 0.00 O ATOM 1491 CB ILE 3 43 32.479 15.880 0.247 1.00 0.00 C ATOM 1492 CG1 ILE 3 43 32.444 17.250 0.938 1.00 0.00 C ATOM 1493 CG2 ILE 3 43 31.637 15.927 -1.029 1.00 0.00 C ATOM 1494 CD1 ILE 3 43 31.053 17.507 1.521 1.00 0.00 C ATOM 0 H ILE 3 43 33.938 14.988 1.873 1.00 0.00 H new ATOM 0 HA ILE 3 43 31.008 15.102 1.684 1.00 0.00 H new ATOM 0 HB ILE 3 43 33.510 15.635 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE 3 43 33.192 17.286 1.730 1.00 0.00 H new ATOM 0 HG13 ILE 3 43 32.698 18.033 0.224 1.00 0.00 H new ATOM 0 HG21 ILE 3 43 32.031 16.693 -1.697 1.00 0.00 H new ATOM 0 HG22 ILE 3 43 31.675 14.958 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE 3 43 30.604 16.164 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE 3 43 31.038 18.481 2.009 1.00 0.00 H new ATOM 0 HD12 ILE 3 43 30.314 17.491 0.720 1.00 0.00 H new ATOM 0 HD13 ILE 3 43 30.815 16.732 2.250 1.00 0.00 H new ATOM 1506 N ALA 3 44 32.503 13.047 -0.392 1.00 0.00 N ATOM 1507 CA ALA 3 44 32.219 11.818 -1.192 1.00 0.00 C ATOM 1508 C ALA 3 44 31.804 10.667 -0.271 1.00 0.00 C ATOM 1509 O ALA 3 44 30.857 9.954 -0.543 1.00 0.00 O ATOM 1510 CB ALA 3 44 33.536 11.492 -1.889 1.00 0.00 C ATOM 0 H ALA 3 44 33.433 13.445 -0.523 1.00 0.00 H new ATOM 0 HA ALA 3 44 31.404 11.966 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA 3 44 33.413 10.598 -2.500 1.00 0.00 H new ATOM 0 HB2 ALA 3 44 33.828 12.328 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA 3 44 34.310 11.317 -1.141 1.00 0.00 H new ATOM 1516 N ILE 3 45 32.501 10.481 0.816 1.00 0.00 N ATOM 1517 CA ILE 3 45 32.139 9.375 1.749 1.00 0.00 C ATOM 1518 C ILE 3 45 30.728 9.598 2.298 1.00 0.00 C ATOM 1519 O ILE 3 45 29.898 8.710 2.287 1.00 0.00 O ATOM 1520 CB ILE 3 45 33.165 9.456 2.879 1.00 0.00 C ATOM 1521 CG1 ILE 3 45 34.493 8.841 2.419 1.00 0.00 C ATOM 1522 CG2 ILE 3 45 32.639 8.692 4.092 1.00 0.00 C ATOM 1523 CD1 ILE 3 45 35.653 9.581 3.087 1.00 0.00 C ATOM 0 H ILE 3 45 33.303 11.044 1.099 1.00 0.00 H new ATOM 0 HA ILE 3 45 32.147 8.401 1.260 1.00 0.00 H new ATOM 0 HB ILE 3 45 33.329 10.500 3.147 1.00 0.00 H new ATOM 0 HG12 ILE 3 45 34.525 7.783 2.677 1.00 0.00 H new ATOM 0 HG13 ILE 3 45 34.581 8.907 1.335 1.00 0.00 H new ATOM 0 HG21 ILE 3 45 33.368 8.747 4.901 1.00 0.00 H new ATOM 0 HG22 ILE 3 45 31.698 9.134 4.420 1.00 0.00 H new ATOM 0 HG23 ILE 3 45 32.475 7.649 3.822 1.00 0.00 H new ATOM 0 HD11 ILE 3 45 36.598 9.146 2.762 1.00 0.00 H new ATOM 0 HD12 ILE 3 45 35.623 10.634 2.806 1.00 0.00 H new ATOM 0 HD13 ILE 3 45 35.566 9.492 4.170 1.00 0.00 H new ATOM 1535 N THR 3 46 30.450 10.780 2.775 1.00 0.00 N ATOM 1536 CA THR 3 46 29.094 11.068 3.323 1.00 0.00 C ATOM 1537 C THR 3 46 28.028 10.737 2.278 1.00 0.00 C ATOM 1538 O THR 3 46 26.984 10.200 2.587 1.00 0.00 O ATOM 1539 CB THR 3 46 29.108 12.570 3.621 1.00 0.00 C ATOM 1540 OG1 THR 3 46 29.621 12.787 4.927 1.00 0.00 O ATOM 1541 CG2 THR 3 46 27.690 13.133 3.527 1.00 0.00 C ATOM 0 H THR 3 46 31.105 11.561 2.809 1.00 0.00 H new ATOM 0 HA THR 3 46 28.865 10.477 4.210 1.00 0.00 H new ATOM 0 HB THR 3 46 29.741 13.075 2.891 1.00 0.00 H new ATOM 0 HG1 THR 3 46 30.554 13.079 4.867 1.00 0.00 H new ATOM 0 HG21 THR 3 46 27.708 14.202 3.740 1.00 0.00 H new ATOM 0 HG22 THR 3 46 27.300 12.970 2.522 1.00 0.00 H new ATOM 0 HG23 THR 3 46 27.050 12.629 4.251 1.00 0.00 H new ATOM 1549 N GLU 3 47 28.288 11.056 1.041 1.00 0.00 N ATOM 1550 CA GLU 3 47 27.295 10.762 -0.031 1.00 0.00 C ATOM 1551 C GLU 3 47 27.021 9.258 -0.100 1.00 0.00 C ATOM 1552 O GLU 3 47 25.887 8.820 -0.079 1.00 0.00 O ATOM 1553 CB GLU 3 47 27.953 11.247 -1.324 1.00 0.00 C ATOM 1554 CG GLU 3 47 27.646 12.731 -1.527 1.00 0.00 C ATOM 1555 CD GLU 3 47 26.149 12.912 -1.786 1.00 0.00 C ATOM 1556 OE1 GLU 3 47 25.584 12.082 -2.479 1.00 0.00 O ATOM 1557 OE2 GLU 3 47 25.594 13.876 -1.287 1.00 0.00 O ATOM 0 H GLU 3 47 29.146 11.508 0.725 1.00 0.00 H new ATOM 0 HA GLU 3 47 26.337 11.251 0.148 1.00 0.00 H new ATOM 0 HB2 GLU 3 47 29.031 11.091 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU 3 47 27.584 10.669 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU 3 47 27.945 13.299 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU 3 47 28.221 13.121 -2.367 1.00 0.00 H new ATOM 1564 N ALA 3 48 28.053 8.463 -0.184 1.00 0.00 N ATOM 1565 CA ALA 3 48 27.855 6.987 -0.257 1.00 0.00 C ATOM 1566 C ALA 3 48 27.146 6.481 1.001 1.00 0.00 C ATOM 1567 O ALA 3 48 26.350 5.564 0.949 1.00 0.00 O ATOM 1568 CB ALA 3 48 29.264 6.401 -0.349 1.00 0.00 C ATOM 0 H ALA 3 48 29.025 8.772 -0.205 1.00 0.00 H new ATOM 0 HA ALA 3 48 27.236 6.698 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA 3 48 29.203 5.314 -0.406 1.00 0.00 H new ATOM 0 HB2 ALA 3 48 29.760 6.784 -1.241 1.00 0.00 H new ATOM 0 HB3 ALA 3 48 29.835 6.686 0.535 1.00 0.00 H new ATOM 1574 N ILE 3 49 27.426 7.069 2.131 1.00 0.00 N ATOM 1575 CA ILE 3 49 26.763 6.616 3.387 1.00 0.00 C ATOM 1576 C ILE 3 49 25.250 6.806 3.278 1.00 0.00 C ATOM 1577 O ILE 3 49 24.481 5.926 3.601 1.00 0.00 O ATOM 1578 CB ILE 3 49 27.333 7.507 4.488 1.00 0.00 C ATOM 1579 CG1 ILE 3 49 28.428 6.746 5.244 1.00 0.00 C ATOM 1580 CG2 ILE 3 49 26.217 7.890 5.462 1.00 0.00 C ATOM 1581 CD1 ILE 3 49 29.769 7.464 5.078 1.00 0.00 C ATOM 0 H ILE 3 49 28.083 7.841 2.240 1.00 0.00 H new ATOM 0 HA ILE 3 49 26.942 5.560 3.588 1.00 0.00 H new ATOM 0 HB ILE 3 49 27.755 8.409 4.044 1.00 0.00 H new ATOM 0 HG12 ILE 3 49 28.171 6.676 6.301 1.00 0.00 H new ATOM 0 HG13 ILE 3 49 28.502 5.726 4.866 1.00 0.00 H new ATOM 0 HG21 ILE 3 49 26.623 8.526 6.249 1.00 0.00 H new ATOM 0 HG22 ILE 3 49 25.436 8.429 4.926 1.00 0.00 H new ATOM 0 HG23 ILE 3 49 25.796 6.988 5.906 1.00 0.00 H new ATOM 0 HD11 ILE 3 49 30.543 6.918 5.618 1.00 0.00 H new ATOM 0 HD12 ILE 3 49 30.028 7.511 4.020 1.00 0.00 H new ATOM 0 HD13 ILE 3 49 29.692 8.475 5.478 1.00 0.00 H new ATOM 1593 N GLN 3 50 24.818 7.951 2.823 1.00 0.00 N ATOM 1594 CA GLN 3 50 23.353 8.197 2.697 1.00 0.00 C ATOM 1595 C GLN 3 50 22.731 7.188 1.733 1.00 0.00 C ATOM 1596 O GLN 3 50 21.753 6.529 2.041 1.00 0.00 O ATOM 1597 CB GLN 3 50 23.234 9.616 2.143 1.00 0.00 C ATOM 1598 CG GLN 3 50 23.473 10.626 3.266 1.00 0.00 C ATOM 1599 CD GLN 3 50 22.160 10.885 4.007 1.00 0.00 C ATOM 1600 OE1 GLN 3 50 21.190 11.317 3.416 1.00 0.00 O ATOM 1601 NE2 GLN 3 50 22.086 10.638 5.287 1.00 0.00 N ATOM 0 H GLN 3 50 25.415 8.726 2.534 1.00 0.00 H new ATOM 0 HA GLN 3 50 22.832 8.089 3.648 1.00 0.00 H new ATOM 0 HB2 GLN 3 50 23.959 9.767 1.344 1.00 0.00 H new ATOM 0 HB3 GLN 3 50 22.245 9.766 1.709 1.00 0.00 H new ATOM 0 HG2 GLN 3 50 24.224 10.246 3.958 1.00 0.00 H new ATOM 0 HG3 GLN 3 50 23.861 11.558 2.855 1.00 0.00 H new ATOM 0 HE21 GLN 3 50 22.899 10.275 5.784 1.00 0.00 H new ATOM 0 HE22 GLN 3 50 21.215 10.808 5.790 1.00 0.00 H new ATOM 1610 N ALA 3 51 23.299 7.057 0.574 1.00 0.00 N ATOM 1611 CA ALA 3 51 22.754 6.085 -0.411 1.00 0.00 C ATOM 1612 C ALA 3 51 22.753 4.690 0.210 1.00 0.00 C ATOM 1613 O ALA 3 51 21.847 3.907 0.007 1.00 0.00 O ATOM 1614 CB ALA 3 51 23.710 6.146 -1.604 1.00 0.00 C ATOM 0 H ALA 3 51 24.118 7.580 0.263 1.00 0.00 H new ATOM 0 HA ALA 3 51 21.731 6.312 -0.710 1.00 0.00 H new ATOM 0 HB1 ALA 3 51 23.373 5.454 -2.376 1.00 0.00 H new ATOM 0 HB2 ALA 3 51 23.725 7.159 -2.007 1.00 0.00 H new ATOM 0 HB3 ALA 3 51 24.713 5.869 -1.281 1.00 0.00 H new ATOM 1620 N ASN 3 52 23.758 4.382 0.984 1.00 0.00 N ATOM 1621 CA ASN 3 52 23.812 3.046 1.637 1.00 0.00 C ATOM 1622 C ASN 3 52 22.602 2.878 2.559 1.00 0.00 C ATOM 1623 O ASN 3 52 22.095 1.787 2.739 1.00 0.00 O ATOM 1624 CB ASN 3 52 25.114 3.043 2.437 1.00 0.00 C ATOM 1625 CG ASN 3 52 26.290 2.811 1.487 1.00 0.00 C ATOM 1626 OD1 ASN 3 52 26.149 2.144 0.481 1.00 0.00 O ATOM 1627 ND2 ASN 3 52 27.451 3.336 1.764 1.00 0.00 N ATOM 0 H ASN 3 52 24.543 4.999 1.191 1.00 0.00 H new ATOM 0 HA ASN 3 52 23.786 2.226 0.920 1.00 0.00 H new ATOM 0 HB2 ASN 3 52 25.235 3.992 2.960 1.00 0.00 H new ATOM 0 HB3 ASN 3 52 25.086 2.262 3.197 1.00 0.00 H new ATOM 0 HD21 ASN 3 52 28.241 3.187 1.136 1.00 0.00 H new ATOM 0 HD22 ASN 3 52 27.569 3.896 2.608 1.00 0.00 H new ATOM 1634 N ILE 3 53 22.121 3.951 3.133 1.00 0.00 N ATOM 1635 CA ILE 3 53 20.931 3.833 4.022 1.00 0.00 C ATOM 1636 C ILE 3 53 19.745 3.380 3.179 1.00 0.00 C ATOM 1637 O ILE 3 53 19.037 2.454 3.522 1.00 0.00 O ATOM 1638 CB ILE 3 53 20.676 5.238 4.575 1.00 0.00 C ATOM 1639 CG1 ILE 3 53 21.963 5.815 5.169 1.00 0.00 C ATOM 1640 CG2 ILE 3 53 19.607 5.166 5.666 1.00 0.00 C ATOM 1641 CD1 ILE 3 53 22.806 4.689 5.770 1.00 0.00 C ATOM 0 H ILE 3 53 22.497 4.893 3.025 1.00 0.00 H new ATOM 0 HA ILE 3 53 21.081 3.117 4.830 1.00 0.00 H new ATOM 0 HB ILE 3 53 20.338 5.882 3.763 1.00 0.00 H new ATOM 0 HG12 ILE 3 53 22.530 6.334 4.396 1.00 0.00 H new ATOM 0 HG13 ILE 3 53 21.722 6.551 5.936 1.00 0.00 H new ATOM 0 HG21 ILE 3 53 19.423 6.165 6.062 1.00 0.00 H new ATOM 0 HG22 ILE 3 53 18.684 4.767 5.245 1.00 0.00 H new ATOM 0 HG23 ILE 3 53 19.951 4.515 6.470 1.00 0.00 H new ATOM 0 HD11 ILE 3 53 23.721 5.105 6.192 1.00 0.00 H new ATOM 0 HD12 ILE 3 53 22.239 4.189 6.555 1.00 0.00 H new ATOM 0 HD13 ILE 3 53 23.059 3.969 4.992 1.00 0.00 H new ATOM 1653 N GLU 3 54 19.539 4.022 2.064 1.00 0.00 N ATOM 1654 CA GLU 3 54 18.414 3.623 1.175 1.00 0.00 C ATOM 1655 C GLU 3 54 18.664 2.211 0.641 1.00 0.00 C ATOM 1656 O GLU 3 54 17.749 1.432 0.453 1.00 0.00 O ATOM 1657 CB GLU 3 54 18.424 4.641 0.034 1.00 0.00 C ATOM 1658 CG GLU 3 54 18.272 6.052 0.604 1.00 0.00 C ATOM 1659 CD GLU 3 54 18.094 7.050 -0.542 1.00 0.00 C ATOM 1660 OE1 GLU 3 54 18.476 6.720 -1.652 1.00 0.00 O ATOM 1661 OE2 GLU 3 54 17.580 8.127 -0.289 1.00 0.00 O ATOM 0 H GLU 3 54 20.101 4.805 1.730 1.00 0.00 H new ATOM 0 HA GLU 3 54 17.454 3.612 1.691 1.00 0.00 H new ATOM 0 HB2 GLU 3 54 19.355 4.563 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU 3 54 17.612 4.430 -0.662 1.00 0.00 H new ATOM 0 HG2 GLU 3 54 17.413 6.094 1.274 1.00 0.00 H new ATOM 0 HG3 GLU 3 54 19.150 6.313 1.195 1.00 0.00 H new ATOM 1668 N LEU 3 55 19.903 1.877 0.396 1.00 0.00 N ATOM 1669 CA LEU 3 55 20.228 0.517 -0.124 1.00 0.00 C ATOM 1670 C LEU 3 55 19.699 -0.558 0.827 1.00 0.00 C ATOM 1671 O LEU 3 55 19.224 -1.593 0.404 1.00 0.00 O ATOM 1672 CB LEU 3 55 21.756 0.472 -0.184 1.00 0.00 C ATOM 1673 CG LEU 3 55 22.233 1.050 -1.518 1.00 0.00 C ATOM 1674 CD1 LEU 3 55 23.741 1.299 -1.458 1.00 0.00 C ATOM 1675 CD2 LEU 3 55 21.927 0.058 -2.641 1.00 0.00 C ATOM 0 H LEU 3 55 20.707 2.490 0.534 1.00 0.00 H new ATOM 0 HA LEU 3 55 19.773 0.330 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU 3 55 22.180 1.041 0.643 1.00 0.00 H new ATOM 0 HB3 LEU 3 55 22.104 -0.555 -0.075 1.00 0.00 H new ATOM 0 HG LEU 3 55 21.717 1.990 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU 3 55 24.080 1.711 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU 3 55 23.962 2.005 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU 3 55 24.258 0.359 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU 3 55 22.266 0.469 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU 3 55 22.443 -0.882 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU 3 55 20.853 -0.121 -2.686 1.00 0.00 H new ATOM 1687 N PHE 3 56 19.783 -0.326 2.107 1.00 0.00 N ATOM 1688 CA PHE 3 56 19.289 -1.344 3.078 1.00 0.00 C ATOM 1689 C PHE 3 56 17.818 -1.093 3.434 1.00 0.00 C ATOM 1690 O PHE 3 56 17.264 -1.745 4.297 1.00 0.00 O ATOM 1691 CB PHE 3 56 20.176 -1.175 4.312 1.00 0.00 C ATOM 1692 CG PHE 3 56 21.525 -1.798 4.051 1.00 0.00 C ATOM 1693 CD1 PHE 3 56 21.940 -2.908 4.796 1.00 0.00 C ATOM 1694 CD2 PHE 3 56 22.363 -1.265 3.063 1.00 0.00 C ATOM 1695 CE1 PHE 3 56 23.192 -3.486 4.554 1.00 0.00 C ATOM 1696 CE2 PHE 3 56 23.614 -1.843 2.820 1.00 0.00 C ATOM 1697 CZ PHE 3 56 24.028 -2.953 3.566 1.00 0.00 C ATOM 0 H PHE 3 56 20.171 0.521 2.523 1.00 0.00 H new ATOM 0 HA PHE 3 56 19.339 -2.353 2.669 1.00 0.00 H new ATOM 0 HB2 PHE 3 56 20.292 -0.117 4.548 1.00 0.00 H new ATOM 0 HB3 PHE 3 56 19.708 -1.645 5.177 1.00 0.00 H new ATOM 0 HD1 PHE 3 56 21.294 -3.319 5.558 1.00 0.00 H new ATOM 0 HD2 PHE 3 56 22.044 -0.408 2.489 1.00 0.00 H new ATOM 0 HE1 PHE 3 56 23.512 -4.342 5.129 1.00 0.00 H new ATOM 0 HE2 PHE 3 56 24.260 -1.433 2.057 1.00 0.00 H new ATOM 0 HZ PHE 3 56 24.994 -3.399 3.379 1.00 0.00 H new