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= -2.3! K(o=-9.9!,f=-8.2) USER MOD Set 1.2: 3 52 ASN : amide:sc= -7.56! C(o=-9.9!,f=-10!) USER MOD Set 2.1: 3 31 THR OG1 : rot 160:sc= -0.418 USER MOD Set 2.2: 3 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.0035) USER MOD Single : 3 17 TYR OH : rot 180:sc= 0 USER MOD Single : 3 20 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.1) USER MOD Single : 3 21 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.041) USER MOD Single : 3 23 TYR OH : rot 15:sc= 0.206 USER MOD Single : 3 24 TYR OH : rot 180:sc= 0 USER MOD Single : 3 25 CYS SG : rot -0:sc= 0.167 USER MOD Single : 3 26 TYR OH : rot 180:sc= 0 USER MOD Single : 3 46 THR OG1 : rot 85:sc= 1.1 USER MOD Single : 3 50 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 790 N ARG 3 3 40.128 -7.590 -5.461 1.00 0.00 N ATOM 791 CA ARG 3 3 40.496 -6.583 -4.427 1.00 0.00 C ATOM 792 C ARG 3 3 39.524 -6.693 -3.249 1.00 0.00 C ATOM 793 O ARG 3 3 38.461 -6.106 -3.250 1.00 0.00 O ATOM 794 CB ARG 3 3 40.365 -5.229 -5.125 1.00 0.00 C ATOM 795 CG ARG 3 3 41.505 -5.065 -6.133 1.00 0.00 C ATOM 796 CD ARG 3 3 40.967 -5.281 -7.550 1.00 0.00 C ATOM 797 NE ARG 3 3 41.838 -4.448 -8.425 1.00 0.00 N ATOM 798 CZ ARG 3 3 42.786 -5.007 -9.125 1.00 0.00 C ATOM 799 NH1 ARG 3 3 43.350 -6.106 -8.702 1.00 0.00 N ATOM 800 NH2 ARG 3 3 43.174 -4.466 -10.247 1.00 0.00 N ATOM 0 HA ARG 3 3 41.501 -6.726 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG 3 3 39.403 -5.161 -5.633 1.00 0.00 H new ATOM 0 HB3 ARG 3 3 40.396 -4.424 -4.391 1.00 0.00 H new ATOM 0 HG2 ARG 3 3 41.942 -4.070 -6.046 1.00 0.00 H new ATOM 0 HG3 ARG 3 3 42.299 -5.781 -5.921 1.00 0.00 H new ATOM 0 HD2 ARG 3 3 41.013 -6.332 -7.834 1.00 0.00 H new ATOM 0 HD3 ARG 3 3 39.923 -4.976 -7.627 1.00 0.00 H new ATOM 0 HE ARG 3 3 41.693 -3.440 -8.477 1.00 0.00 H new ATOM 0 HH11 ARG 3 3 43.049 -6.528 -7.823 1.00 0.00 H new ATOM 0 HH12 ARG 3 3 44.091 -6.542 -9.250 1.00 0.00 H new ATOM 0 HH21 ARG 3 3 42.736 -3.606 -10.577 1.00 0.00 H new ATOM 0 HH22 ARG 3 3 43.915 -4.903 -10.794 1.00 0.00 H new ATOM 814 N ARG 3 4 39.873 -7.463 -2.253 1.00 0.00 N ATOM 815 CA ARG 3 4 38.962 -7.635 -1.085 1.00 0.00 C ATOM 816 C ARG 3 4 39.018 -6.419 -0.153 1.00 0.00 C ATOM 817 O ARG 3 4 38.036 -5.730 0.037 1.00 0.00 O ATOM 818 CB ARG 3 4 39.481 -8.880 -0.365 1.00 0.00 C ATOM 819 CG ARG 3 4 38.316 -9.834 -0.090 1.00 0.00 C ATOM 820 CD ARG 3 4 38.439 -10.395 1.328 1.00 0.00 C ATOM 821 NE ARG 3 4 39.813 -10.963 1.401 1.00 0.00 N ATOM 822 CZ ARG 3 4 40.218 -11.553 2.492 1.00 0.00 C ATOM 823 NH1 ARG 3 4 40.918 -10.889 3.373 1.00 0.00 N ATOM 824 NH2 ARG 3 4 39.922 -12.805 2.704 1.00 0.00 N ATOM 0 H ARG 3 4 40.750 -7.980 -2.198 1.00 0.00 H new ATOM 0 HA ARG 3 4 37.922 -7.734 -1.396 1.00 0.00 H new ATOM 0 HB2 ARG 3 4 40.236 -9.377 -0.974 1.00 0.00 H new ATOM 0 HB3 ARG 3 4 39.962 -8.597 0.571 1.00 0.00 H new ATOM 0 HG2 ARG 3 4 37.368 -9.309 -0.204 1.00 0.00 H new ATOM 0 HG3 ARG 3 4 38.319 -10.647 -0.816 1.00 0.00 H new ATOM 0 HD2 ARG 3 4 38.295 -9.614 2.075 1.00 0.00 H new ATOM 0 HD3 ARG 3 4 37.685 -11.160 1.516 1.00 0.00 H new ATOM 0 HE ARG 3 4 40.438 -10.891 0.598 1.00 0.00 H new ATOM 0 HH11 ARG 3 4 41.148 -9.909 3.208 1.00 0.00 H new ATOM 0 HH12 ARG 3 4 41.234 -11.351 4.226 1.00 0.00 H new ATOM 0 HH21 ARG 3 4 39.374 -13.323 2.017 1.00 0.00 H new ATOM 0 HH22 ARG 3 4 40.238 -13.267 3.557 1.00 0.00 H new ATOM 838 N ARG 3 5 40.151 -6.155 0.440 1.00 0.00 N ATOM 839 CA ARG 3 5 40.243 -4.988 1.366 1.00 0.00 C ATOM 840 C ARG 3 5 41.494 -4.155 1.072 1.00 0.00 C ATOM 841 O ARG 3 5 42.598 -4.662 1.047 1.00 0.00 O ATOM 842 CB ARG 3 5 40.331 -5.603 2.766 1.00 0.00 C ATOM 843 CG ARG 3 5 39.147 -5.130 3.613 1.00 0.00 C ATOM 844 CD ARG 3 5 39.665 -4.382 4.844 1.00 0.00 C ATOM 845 NE ARG 3 5 38.894 -4.944 5.988 1.00 0.00 N ATOM 846 CZ ARG 3 5 38.053 -4.190 6.640 1.00 0.00 C ATOM 847 NH1 ARG 3 5 38.494 -3.241 7.420 1.00 0.00 N ATOM 848 NH2 ARG 3 5 36.768 -4.385 6.514 1.00 0.00 N ATOM 0 H ARG 3 5 41.011 -6.692 0.325 1.00 0.00 H new ATOM 0 HA ARG 3 5 39.390 -4.317 1.259 1.00 0.00 H new ATOM 0 HB2 ARG 3 5 40.329 -6.691 2.697 1.00 0.00 H new ATOM 0 HB3 ARG 3 5 41.269 -5.315 3.242 1.00 0.00 H new ATOM 0 HG2 ARG 3 5 38.502 -4.479 3.023 1.00 0.00 H new ATOM 0 HG3 ARG 3 5 38.543 -5.983 3.921 1.00 0.00 H new ATOM 0 HD2 ARG 3 5 40.736 -4.534 4.977 1.00 0.00 H new ATOM 0 HD3 ARG 3 5 39.505 -3.308 4.750 1.00 0.00 H new ATOM 0 HE ARG 3 5 39.024 -5.918 6.261 1.00 0.00 H new ATOM 0 HH11 ARG 3 5 39.498 -3.088 7.520 1.00 0.00 H new ATOM 0 HH12 ARG 3 5 37.835 -2.652 7.929 1.00 0.00 H new ATOM 0 HH21 ARG 3 5 36.422 -5.127 5.906 1.00 0.00 H new ATOM 0 HH22 ARG 3 5 36.110 -3.795 7.024 1.00 0.00 H new ATOM 862 N SER 3 6 41.327 -2.878 0.863 1.00 0.00 N ATOM 863 CA SER 3 6 42.502 -2.005 0.586 1.00 0.00 C ATOM 864 C SER 3 6 42.688 -1.011 1.735 1.00 0.00 C ATOM 865 O SER 3 6 41.805 -0.817 2.547 1.00 0.00 O ATOM 866 CB SER 3 6 42.160 -1.270 -0.710 1.00 0.00 C ATOM 867 OG SER 3 6 43.363 -0.935 -1.391 1.00 0.00 O ATOM 0 H SER 3 6 40.426 -2.401 0.872 1.00 0.00 H new ATOM 0 HA SER 3 6 43.429 -2.571 0.494 1.00 0.00 H new ATOM 0 HB2 SER 3 6 41.533 -1.898 -1.343 1.00 0.00 H new ATOM 0 HB3 SER 3 6 41.589 -0.368 -0.490 1.00 0.00 H new ATOM 0 HG SER 3 6 43.148 -0.465 -2.224 1.00 0.00 H new ATOM 873 N HIS 3 7 43.826 -0.381 1.813 1.00 0.00 N ATOM 874 CA HIS 3 7 44.058 0.596 2.914 1.00 0.00 C ATOM 875 C HIS 3 7 43.085 1.774 2.795 1.00 0.00 C ATOM 876 O HIS 3 7 42.520 2.226 3.772 1.00 0.00 O ATOM 877 CB HIS 3 7 45.500 1.069 2.724 1.00 0.00 C ATOM 878 CG HIS 3 7 46.436 0.122 3.424 1.00 0.00 C ATOM 879 ND1 HIS 3 7 47.121 0.475 4.576 1.00 0.00 N ATOM 880 CD2 HIS 3 7 46.812 -1.170 3.146 1.00 0.00 C ATOM 881 CE1 HIS 3 7 47.867 -0.583 4.946 1.00 0.00 C ATOM 882 NE2 HIS 3 7 47.715 -1.612 4.108 1.00 0.00 N ATOM 0 H HIS 3 7 44.604 -0.499 1.164 1.00 0.00 H new ATOM 0 HA HIS 3 7 43.899 0.154 3.898 1.00 0.00 H new ATOM 0 HB2 HIS 3 7 45.741 1.117 1.662 1.00 0.00 H new ATOM 0 HB3 HIS 3 7 45.619 2.076 3.123 1.00 0.00 H new ATOM 0 HD2 HIS 3 7 46.460 -1.754 2.308 1.00 0.00 H new ATOM 0 HE1 HIS 3 7 48.510 -0.598 5.814 1.00 0.00 H new ATOM 0 HE2 HIS 3 7 48.165 -2.526 4.162 1.00 0.00 H new ATOM 890 N GLU 3 8 42.882 2.275 1.606 1.00 0.00 N ATOM 891 CA GLU 3 8 41.946 3.428 1.433 1.00 0.00 C ATOM 892 C GLU 3 8 40.507 2.979 1.666 1.00 0.00 C ATOM 893 O GLU 3 8 39.737 3.642 2.331 1.00 0.00 O ATOM 894 CB GLU 3 8 42.130 3.893 -0.014 1.00 0.00 C ATOM 895 CG GLU 3 8 43.619 3.964 -0.348 1.00 0.00 C ATOM 896 CD GLU 3 8 43.888 5.186 -1.230 1.00 0.00 C ATOM 897 OE1 GLU 3 8 43.472 5.167 -2.376 1.00 0.00 O ATOM 898 OE2 GLU 3 8 44.505 6.119 -0.742 1.00 0.00 O ATOM 0 H GLU 3 8 43.321 1.939 0.749 1.00 0.00 H new ATOM 0 HA GLU 3 8 42.153 4.228 2.144 1.00 0.00 H new ATOM 0 HB2 GLU 3 8 41.628 3.205 -0.694 1.00 0.00 H new ATOM 0 HB3 GLU 3 8 41.669 4.871 -0.153 1.00 0.00 H new ATOM 0 HG2 GLU 3 8 44.205 4.028 0.569 1.00 0.00 H new ATOM 0 HG3 GLU 3 8 43.931 3.055 -0.863 1.00 0.00 H new ATOM 905 N ARG 3 9 40.145 1.854 1.132 1.00 0.00 N ATOM 906 CA ARG 3 9 38.765 1.348 1.326 1.00 0.00 C ATOM 907 C ARG 3 9 38.508 1.102 2.819 1.00 0.00 C ATOM 908 O ARG 3 9 37.382 0.953 3.247 1.00 0.00 O ATOM 909 CB ARG 3 9 38.730 0.042 0.521 1.00 0.00 C ATOM 910 CG ARG 3 9 37.797 -0.971 1.184 1.00 0.00 C ATOM 911 CD ARG 3 9 36.371 -0.415 1.213 1.00 0.00 C ATOM 912 NE ARG 3 9 35.766 -0.977 2.451 1.00 0.00 N ATOM 913 CZ ARG 3 9 35.455 -2.242 2.510 1.00 0.00 C ATOM 914 NH1 ARG 3 9 34.285 -2.646 2.096 1.00 0.00 N ATOM 915 NH2 ARG 3 9 36.311 -3.103 2.986 1.00 0.00 N ATOM 0 H ARG 3 9 40.749 1.259 0.566 1.00 0.00 H new ATOM 0 HA ARG 3 9 37.995 2.045 0.996 1.00 0.00 H new ATOM 0 HB2 ARG 3 9 38.394 0.244 -0.496 1.00 0.00 H new ATOM 0 HB3 ARG 3 9 39.735 -0.374 0.448 1.00 0.00 H new ATOM 0 HG2 ARG 3 9 37.819 -1.913 0.637 1.00 0.00 H new ATOM 0 HG3 ARG 3 9 38.136 -1.183 2.198 1.00 0.00 H new ATOM 0 HD2 ARG 3 9 36.372 0.675 1.233 1.00 0.00 H new ATOM 0 HD3 ARG 3 9 35.811 -0.717 0.328 1.00 0.00 H new ATOM 0 HE ARG 3 9 35.594 -0.372 3.254 1.00 0.00 H new ATOM 0 HH11 ARG 3 9 33.614 -1.972 1.726 1.00 0.00 H new ATOM 0 HH12 ARG 3 9 34.041 -3.635 2.142 1.00 0.00 H new ATOM 0 HH21 ARG 3 9 37.224 -2.787 3.312 1.00 0.00 H new ATOM 0 HH22 ARG 3 9 36.067 -4.092 3.032 1.00 0.00 H new ATOM 929 N ARG 3 10 39.542 1.069 3.622 1.00 0.00 N ATOM 930 CA ARG 3 10 39.336 0.840 5.079 1.00 0.00 C ATOM 931 C ARG 3 10 38.598 2.031 5.693 1.00 0.00 C ATOM 932 O ARG 3 10 37.938 1.911 6.705 1.00 0.00 O ATOM 933 CB ARG 3 10 40.740 0.717 5.667 1.00 0.00 C ATOM 934 CG ARG 3 10 40.810 -0.519 6.563 1.00 0.00 C ATOM 935 CD ARG 3 10 40.580 -0.106 8.020 1.00 0.00 C ATOM 936 NE ARG 3 10 41.931 0.251 8.535 1.00 0.00 N ATOM 937 CZ ARG 3 10 42.130 0.364 9.820 1.00 0.00 C ATOM 938 NH1 ARG 3 10 41.262 0.996 10.563 1.00 0.00 N ATOM 939 NH2 ARG 3 10 43.198 -0.154 10.363 1.00 0.00 N ATOM 0 H ARG 3 10 40.512 1.190 3.332 1.00 0.00 H new ATOM 0 HA ARG 3 10 38.736 -0.048 5.279 1.00 0.00 H new ATOM 0 HB2 ARG 3 10 41.476 0.641 4.866 1.00 0.00 H new ATOM 0 HB3 ARG 3 10 40.985 1.610 6.242 1.00 0.00 H new ATOM 0 HG2 ARG 3 10 40.058 -1.246 6.257 1.00 0.00 H new ATOM 0 HG3 ARG 3 10 41.782 -1.002 6.460 1.00 0.00 H new ATOM 0 HD2 ARG 3 10 39.895 0.739 8.088 1.00 0.00 H new ATOM 0 HD3 ARG 3 10 40.140 -0.920 8.596 1.00 0.00 H new ATOM 0 HE ARG 3 10 42.700 0.407 7.884 1.00 0.00 H new ATOM 0 HH11 ARG 3 10 40.428 1.402 10.139 1.00 0.00 H new ATOM 0 HH12 ARG 3 10 41.418 1.084 11.567 1.00 0.00 H new ATOM 0 HH21 ARG 3 10 43.877 -0.647 9.783 1.00 0.00 H new ATOM 0 HH22 ARG 3 10 43.354 -0.066 11.367 1.00 0.00 H new ATOM 953 N ASP 3 11 38.709 3.179 5.086 1.00 0.00 N ATOM 954 CA ASP 3 11 38.017 4.382 5.628 1.00 0.00 C ATOM 955 C ASP 3 11 36.824 4.764 4.743 1.00 0.00 C ATOM 956 O ASP 3 11 36.079 5.672 5.055 1.00 0.00 O ATOM 957 CB ASP 3 11 39.073 5.488 5.603 1.00 0.00 C ATOM 958 CG ASP 3 11 40.159 5.179 6.634 1.00 0.00 C ATOM 959 OD1 ASP 3 11 39.903 4.371 7.511 1.00 0.00 O ATOM 960 OD2 ASP 3 11 41.227 5.758 6.531 1.00 0.00 O ATOM 0 H ASP 3 11 39.250 3.337 4.236 1.00 0.00 H new ATOM 0 HA ASP 3 11 37.622 4.210 6.629 1.00 0.00 H new ATOM 0 HB2 ASP 3 11 39.512 5.564 4.608 1.00 0.00 H new ATOM 0 HB3 ASP 3 11 38.612 6.451 5.822 1.00 0.00 H new ATOM 965 N LEU 3 12 36.632 4.087 3.640 1.00 0.00 N ATOM 966 CA LEU 3 12 35.486 4.432 2.751 1.00 0.00 C ATOM 967 C LEU 3 12 34.291 3.521 3.033 1.00 0.00 C ATOM 968 O LEU 3 12 34.446 2.408 3.492 1.00 0.00 O ATOM 969 CB LEU 3 12 35.984 4.189 1.327 1.00 0.00 C ATOM 970 CG LEU 3 12 37.000 5.260 0.937 1.00 0.00 C ATOM 971 CD1 LEU 3 12 37.772 4.803 -0.302 1.00 0.00 C ATOM 972 CD2 LEU 3 12 36.266 6.562 0.626 1.00 0.00 C ATOM 0 H LEU 3 12 37.216 3.315 3.319 1.00 0.00 H new ATOM 0 HA LEU 3 12 35.160 5.460 2.909 1.00 0.00 H new ATOM 0 HB2 LEU 3 12 36.440 3.201 1.256 1.00 0.00 H new ATOM 0 HB3 LEU 3 12 35.144 4.203 0.632 1.00 0.00 H new ATOM 0 HG LEU 3 12 37.696 5.420 1.760 1.00 0.00 H new ATOM 0 HD11 LEU 3 12 38.498 5.567 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU 3 12 38.293 3.871 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU 3 12 37.076 4.645 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU 3 12 36.988 7.329 0.347 1.00 0.00 H new ATOM 0 HD22 LEU 3 12 35.572 6.400 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU 3 12 35.713 6.887 1.507 1.00 0.00 H new ATOM 984 N PRO 3 13 33.134 4.031 2.722 1.00 0.00 N ATOM 985 CA PRO 3 13 31.883 3.264 2.913 1.00 0.00 C ATOM 986 C PRO 3 13 31.722 2.289 1.749 1.00 0.00 C ATOM 987 O PRO 3 13 32.484 2.332 0.804 1.00 0.00 O ATOM 988 CB PRO 3 13 30.798 4.330 2.831 1.00 0.00 C ATOM 989 CG PRO 3 13 31.391 5.415 1.988 1.00 0.00 C ATOM 990 CD PRO 3 13 32.885 5.366 2.171 1.00 0.00 C ATOM 0 HA PRO 3 13 31.856 2.694 3.842 1.00 0.00 H new ATOM 0 HB2 PRO 3 13 29.887 3.934 2.382 1.00 0.00 H new ATOM 0 HB3 PRO 3 13 30.531 4.700 3.821 1.00 0.00 H new ATOM 0 HG2 PRO 3 13 31.128 5.273 0.940 1.00 0.00 H new ATOM 0 HG3 PRO 3 13 31.000 6.388 2.285 1.00 0.00 H new ATOM 0 HD2 PRO 3 13 33.407 5.511 1.225 1.00 0.00 H new ATOM 0 HD3 PRO 3 13 33.230 6.147 2.848 1.00 0.00 H new ATOM 998 N PRO 3 14 30.718 1.467 1.827 1.00 0.00 N ATOM 999 CA PRO 3 14 30.457 0.519 0.727 1.00 0.00 C ATOM 1000 C PRO 3 14 29.908 1.295 -0.476 1.00 0.00 C ATOM 1001 O PRO 3 14 29.226 2.286 -0.318 1.00 0.00 O ATOM 1002 CB PRO 3 14 29.415 -0.434 1.308 1.00 0.00 C ATOM 1003 CG PRO 3 14 28.739 0.348 2.389 1.00 0.00 C ATOM 1004 CD PRO 3 14 29.749 1.335 2.920 1.00 0.00 C ATOM 0 HA PRO 3 14 31.340 -0.017 0.378 1.00 0.00 H new ATOM 0 HB2 PRO 3 14 28.703 -0.753 0.547 1.00 0.00 H new ATOM 0 HB3 PRO 3 14 29.882 -1.335 1.705 1.00 0.00 H new ATOM 0 HG2 PRO 3 14 27.862 0.866 1.999 1.00 0.00 H new ATOM 0 HG3 PRO 3 14 28.392 -0.313 3.183 1.00 0.00 H new ATOM 0 HD2 PRO 3 14 29.285 2.291 3.161 1.00 0.00 H new ATOM 0 HD3 PRO 3 14 30.222 0.971 3.832 1.00 0.00 H new ATOM 1012 N ASN 3 15 30.224 0.863 -1.669 1.00 0.00 N ATOM 1013 CA ASN 3 15 29.749 1.572 -2.901 1.00 0.00 C ATOM 1014 C ASN 3 15 30.474 2.916 -3.058 1.00 0.00 C ATOM 1015 O ASN 3 15 29.990 3.820 -3.710 1.00 0.00 O ATOM 1016 CB ASN 3 15 28.240 1.784 -2.723 1.00 0.00 C ATOM 1017 CG ASN 3 15 27.612 0.539 -2.094 1.00 0.00 C ATOM 1018 OD1 ASN 3 15 26.645 0.634 -1.364 1.00 0.00 O ATOM 1019 ND2 ASN 3 15 28.126 -0.634 -2.346 1.00 0.00 N ATOM 0 H ASN 3 15 30.798 0.039 -1.847 1.00 0.00 H new ATOM 0 HA ASN 3 15 29.958 0.991 -3.799 1.00 0.00 H new ATOM 0 HB2 ASN 3 15 28.058 2.653 -2.091 1.00 0.00 H new ATOM 0 HB3 ASN 3 15 27.776 1.989 -3.688 1.00 0.00 H new ATOM 0 HD21 ASN 3 15 27.716 -1.470 -1.930 1.00 0.00 H new ATOM 0 HD22 ASN 3 15 28.938 -0.714 -2.959 1.00 0.00 H new ATOM 1026 N LEU 3 16 31.638 3.047 -2.479 1.00 0.00 N ATOM 1027 CA LEU 3 16 32.405 4.325 -2.607 1.00 0.00 C ATOM 1028 C LEU 3 16 33.905 4.027 -2.641 1.00 0.00 C ATOM 1029 O LEU 3 16 34.450 3.433 -1.731 1.00 0.00 O ATOM 1030 CB LEU 3 16 32.053 5.143 -1.365 1.00 0.00 C ATOM 1031 CG LEU 3 16 32.235 6.636 -1.661 1.00 0.00 C ATOM 1032 CD1 LEU 3 16 33.660 6.900 -2.159 1.00 0.00 C ATOM 1033 CD2 LEU 3 16 31.237 7.069 -2.737 1.00 0.00 C ATOM 0 H LEU 3 16 32.093 2.324 -1.922 1.00 0.00 H new ATOM 0 HA LEU 3 16 32.157 4.862 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU 3 16 31.024 4.944 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU 3 16 32.689 4.848 -0.531 1.00 0.00 H new ATOM 0 HG LEU 3 16 32.061 7.204 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU 3 16 33.782 7.963 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU 3 16 34.375 6.596 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU 3 16 33.839 6.329 -3.070 1.00 0.00 H new ATOM 0 HD21 LEU 3 16 31.367 8.131 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU 3 16 31.411 6.495 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU 3 16 30.221 6.890 -2.384 1.00 0.00 H new ATOM 1045 N TYR 3 17 34.574 4.427 -3.684 1.00 0.00 N ATOM 1046 CA TYR 3 17 36.037 4.157 -3.775 1.00 0.00 C ATOM 1047 C TYR 3 17 36.785 5.411 -4.229 1.00 0.00 C ATOM 1048 O TYR 3 17 36.217 6.303 -4.825 1.00 0.00 O ATOM 1049 CB TYR 3 17 36.166 3.050 -4.822 1.00 0.00 C ATOM 1050 CG TYR 3 17 35.321 1.870 -4.410 1.00 0.00 C ATOM 1051 CD1 TYR 3 17 35.784 0.993 -3.423 1.00 0.00 C ATOM 1052 CD2 TYR 3 17 34.075 1.654 -5.011 1.00 0.00 C ATOM 1053 CE1 TYR 3 17 35.001 -0.102 -3.037 1.00 0.00 C ATOM 1054 CE2 TYR 3 17 33.292 0.559 -4.625 1.00 0.00 C ATOM 1055 CZ TYR 3 17 33.755 -0.319 -3.638 1.00 0.00 C ATOM 1056 OH TYR 3 17 32.985 -1.399 -3.257 1.00 0.00 O ATOM 0 H TYR 3 17 34.174 4.928 -4.477 1.00 0.00 H new ATOM 0 HA TYR 3 17 36.463 3.868 -2.814 1.00 0.00 H new ATOM 0 HB2 TYR 3 17 35.846 3.417 -5.797 1.00 0.00 H new ATOM 0 HB3 TYR 3 17 37.209 2.748 -4.921 1.00 0.00 H new ATOM 0 HD1 TYR 3 17 36.745 1.160 -2.959 1.00 0.00 H new ATOM 0 HD2 TYR 3 17 33.718 2.332 -5.772 1.00 0.00 H new ATOM 0 HE1 TYR 3 17 35.358 -0.779 -2.275 1.00 0.00 H new ATOM 0 HE2 TYR 3 17 32.331 0.392 -5.089 1.00 0.00 H new ATOM 0 HH TYR 3 17 32.150 -1.403 -3.770 1.00 0.00 H new ATOM 1066 N ILE 3 18 38.058 5.482 -3.956 1.00 0.00 N ATOM 1067 CA ILE 3 18 38.842 6.678 -4.377 1.00 0.00 C ATOM 1068 C ILE 3 18 39.725 6.322 -5.575 1.00 0.00 C ATOM 1069 O ILE 3 18 40.290 5.248 -5.650 1.00 0.00 O ATOM 1070 CB ILE 3 18 39.696 7.038 -3.161 1.00 0.00 C ATOM 1071 CG1 ILE 3 18 39.734 8.560 -2.992 1.00 0.00 C ATOM 1072 CG2 ILE 3 18 41.119 6.509 -3.349 1.00 0.00 C ATOM 1073 CD1 ILE 3 18 40.453 9.216 -4.175 1.00 0.00 C ATOM 0 H ILE 3 18 38.589 4.766 -3.461 1.00 0.00 H new ATOM 0 HA ILE 3 18 38.208 7.510 -4.684 1.00 0.00 H new ATOM 0 HB ILE 3 18 39.259 6.584 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE 3 18 38.718 8.948 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE 3 18 40.243 8.816 -2.063 1.00 0.00 H new ATOM 0 HG21 ILE 3 18 41.722 6.769 -2.479 1.00 0.00 H new ATOM 0 HG22 ILE 3 18 41.092 5.425 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE 3 18 41.558 6.955 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE 3 18 40.470 10.297 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE 3 18 41.475 8.842 -4.232 1.00 0.00 H new ATOM 0 HD13 ILE 3 18 39.926 8.977 -5.099 1.00 0.00 H new ATOM 1085 N ARG 3 19 39.850 7.220 -6.512 1.00 0.00 N ATOM 1086 CA ARG 3 19 40.693 6.950 -7.702 1.00 0.00 C ATOM 1087 C ARG 3 19 42.107 7.415 -7.418 1.00 0.00 C ATOM 1088 O ARG 3 19 42.436 7.792 -6.310 1.00 0.00 O ATOM 1089 CB ARG 3 19 40.068 7.771 -8.831 1.00 0.00 C ATOM 1090 CG ARG 3 19 38.766 7.109 -9.286 1.00 0.00 C ATOM 1091 CD ARG 3 19 39.089 5.907 -10.176 1.00 0.00 C ATOM 1092 NE ARG 3 19 37.806 5.569 -10.852 1.00 0.00 N ATOM 1093 CZ ARG 3 19 36.731 5.337 -10.145 1.00 0.00 C ATOM 1094 NH1 ARG 3 19 36.833 4.955 -8.900 1.00 0.00 N ATOM 1095 NH2 ARG 3 19 35.554 5.481 -10.688 1.00 0.00 N ATOM 0 H ARG 3 19 39.400 8.135 -6.501 1.00 0.00 H new ATOM 0 HA ARG 3 19 40.738 5.892 -7.961 1.00 0.00 H new ATOM 0 HB2 ARG 3 19 39.871 8.787 -8.489 1.00 0.00 H new ATOM 0 HB3 ARG 3 19 40.762 7.845 -9.668 1.00 0.00 H new ATOM 0 HG2 ARG 3 19 38.186 6.789 -8.420 1.00 0.00 H new ATOM 0 HG3 ARG 3 19 38.153 7.825 -9.833 1.00 0.00 H new ATOM 0 HD2 ARG 3 19 39.865 6.151 -10.902 1.00 0.00 H new ATOM 0 HD3 ARG 3 19 39.457 5.067 -9.586 1.00 0.00 H new ATOM 0 HE ARG 3 19 37.766 5.518 -11.870 1.00 0.00 H new ATOM 0 HH11 ARG 3 19 37.753 4.837 -8.477 1.00 0.00 H new ATOM 0 HH12 ARG 3 19 35.992 4.775 -8.351 1.00 0.00 H new ATOM 0 HH21 ARG 3 19 35.474 5.774 -11.662 1.00 0.00 H new ATOM 0 HH22 ARG 3 19 34.714 5.301 -10.139 1.00 0.00 H new ATOM 1109 N ASN 3 20 42.950 7.405 -8.397 1.00 0.00 N ATOM 1110 CA ASN 3 20 44.334 7.860 -8.154 1.00 0.00 C ATOM 1111 C ASN 3 20 44.376 9.391 -8.184 1.00 0.00 C ATOM 1112 O ASN 3 20 45.310 10.006 -7.705 1.00 0.00 O ATOM 1113 CB ASN 3 20 45.148 7.269 -9.304 1.00 0.00 C ATOM 1114 CG ASN 3 20 44.904 5.761 -9.389 1.00 0.00 C ATOM 1115 OD1 ASN 3 20 44.551 5.134 -8.409 1.00 0.00 O ATOM 1116 ND2 ASN 3 20 45.076 5.147 -10.531 1.00 0.00 N ATOM 0 H ASN 3 20 42.744 7.104 -9.350 1.00 0.00 H new ATOM 0 HA ASN 3 20 44.723 7.545 -7.186 1.00 0.00 H new ATOM 0 HB2 ASN 3 20 44.867 7.746 -10.243 1.00 0.00 H new ATOM 0 HB3 ASN 3 20 46.209 7.467 -9.150 1.00 0.00 H new ATOM 0 HD21 ASN 3 20 44.914 4.142 -10.599 1.00 0.00 H new ATOM 0 HD22 ASN 3 20 45.372 5.673 -11.353 1.00 0.00 H new ATOM 1123 N ASN 3 21 43.362 10.011 -8.732 1.00 0.00 N ATOM 1124 CA ASN 3 21 43.325 11.500 -8.784 1.00 0.00 C ATOM 1125 C ASN 3 21 42.781 12.085 -7.476 1.00 0.00 C ATOM 1126 O ASN 3 21 42.398 13.237 -7.420 1.00 0.00 O ATOM 1127 CB ASN 3 21 42.384 11.827 -9.944 1.00 0.00 C ATOM 1128 CG ASN 3 21 43.199 12.221 -11.178 1.00 0.00 C ATOM 1129 OD1 ASN 3 21 42.744 12.997 -11.994 1.00 0.00 O ATOM 1130 ND2 ASN 3 21 44.391 11.716 -11.354 1.00 0.00 N ATOM 0 H ASN 3 21 42.555 9.545 -9.147 1.00 0.00 H new ATOM 0 HA ASN 3 21 44.320 11.924 -8.920 1.00 0.00 H new ATOM 0 HB2 ASN 3 21 41.758 10.964 -10.171 1.00 0.00 H new ATOM 0 HB3 ASN 3 21 41.715 12.641 -9.663 1.00 0.00 H new ATOM 0 HD21 ASN 3 21 44.938 11.974 -12.176 1.00 0.00 H new ATOM 0 HD22 ASN 3 21 44.775 11.064 -10.670 1.00 0.00 H new ATOM 1137 N GLY 3 22 42.729 11.310 -6.428 1.00 0.00 N ATOM 1138 CA GLY 3 22 42.193 11.841 -5.146 1.00 0.00 C ATOM 1139 C GLY 3 22 40.691 12.114 -5.295 1.00 0.00 C ATOM 1140 O GLY 3 22 40.093 12.801 -4.489 1.00 0.00 O ATOM 0 H GLY 3 22 43.033 10.337 -6.405 1.00 0.00 H new ATOM 0 HA2 GLY 3 22 42.366 11.125 -4.343 1.00 0.00 H new ATOM 0 HA3 GLY 3 22 42.715 12.758 -4.873 1.00 0.00 H new ATOM 1144 N TYR 3 23 40.074 11.583 -6.321 1.00 0.00 N ATOM 1145 CA TYR 3 23 38.613 11.810 -6.523 1.00 0.00 C ATOM 1146 C TYR 3 23 37.821 10.567 -6.105 1.00 0.00 C ATOM 1147 O TYR 3 23 38.153 9.458 -6.477 1.00 0.00 O ATOM 1148 CB TYR 3 23 38.463 12.057 -8.023 1.00 0.00 C ATOM 1149 CG TYR 3 23 37.448 13.148 -8.263 1.00 0.00 C ATOM 1150 CD1 TYR 3 23 36.089 12.907 -8.028 1.00 0.00 C ATOM 1151 CD2 TYR 3 23 37.867 14.400 -8.726 1.00 0.00 C ATOM 1152 CE1 TYR 3 23 35.149 13.920 -8.256 1.00 0.00 C ATOM 1153 CE2 TYR 3 23 36.928 15.412 -8.953 1.00 0.00 C ATOM 1154 CZ TYR 3 23 35.570 15.173 -8.718 1.00 0.00 C ATOM 1155 OH TYR 3 23 34.647 16.174 -8.940 1.00 0.00 O ATOM 0 H TYR 3 23 40.522 11.001 -7.029 1.00 0.00 H new ATOM 0 HA TYR 3 23 38.236 12.642 -5.928 1.00 0.00 H new ATOM 0 HB2 TYR 3 23 39.424 12.341 -8.452 1.00 0.00 H new ATOM 0 HB3 TYR 3 23 38.150 11.140 -8.522 1.00 0.00 H new ATOM 0 HD1 TYR 3 23 35.766 11.940 -7.671 1.00 0.00 H new ATOM 0 HD2 TYR 3 23 38.915 14.585 -8.908 1.00 0.00 H new ATOM 0 HE1 TYR 3 23 34.100 13.735 -8.076 1.00 0.00 H new ATOM 0 HE2 TYR 3 23 37.252 16.378 -9.310 1.00 0.00 H new ATOM 0 HH TYR 3 23 33.798 15.937 -8.511 1.00 0.00 H new ATOM 1165 N TYR 3 24 36.773 10.737 -5.346 1.00 0.00 N ATOM 1166 CA TYR 3 24 35.966 9.562 -4.920 1.00 0.00 C ATOM 1167 C TYR 3 24 34.872 9.274 -5.954 1.00 0.00 C ATOM 1168 O TYR 3 24 34.518 10.122 -6.749 1.00 0.00 O ATOM 1169 CB TYR 3 24 35.351 9.981 -3.588 1.00 0.00 C ATOM 1170 CG TYR 3 24 36.441 10.089 -2.551 1.00 0.00 C ATOM 1171 CD1 TYR 3 24 37.222 11.248 -2.474 1.00 0.00 C ATOM 1172 CD2 TYR 3 24 36.675 9.027 -1.673 1.00 0.00 C ATOM 1173 CE1 TYR 3 24 38.236 11.346 -1.514 1.00 0.00 C ATOM 1174 CE2 TYR 3 24 37.689 9.123 -0.713 1.00 0.00 C ATOM 1175 CZ TYR 3 24 38.471 10.282 -0.635 1.00 0.00 C ATOM 1176 OH TYR 3 24 39.470 10.378 0.312 1.00 0.00 O ATOM 0 H TYR 3 24 36.442 11.639 -5.003 1.00 0.00 H new ATOM 0 HA TYR 3 24 36.561 8.654 -4.829 1.00 0.00 H new ATOM 0 HB2 TYR 3 24 34.838 10.937 -3.695 1.00 0.00 H new ATOM 0 HB3 TYR 3 24 34.604 9.252 -3.273 1.00 0.00 H new ATOM 0 HD1 TYR 3 24 37.042 12.067 -3.155 1.00 0.00 H new ATOM 0 HD2 TYR 3 24 36.073 8.132 -1.735 1.00 0.00 H new ATOM 0 HE1 TYR 3 24 38.836 12.242 -1.451 1.00 0.00 H new ATOM 0 HE2 TYR 3 24 37.868 8.304 -0.033 1.00 0.00 H new ATOM 0 HH TYR 3 24 39.499 9.554 0.841 1.00 0.00 H new ATOM 1186 N CYS 3 25 34.335 8.086 -5.947 1.00 0.00 N ATOM 1187 CA CYS 3 25 33.266 7.747 -6.930 1.00 0.00 C ATOM 1188 C CYS 3 25 32.277 6.753 -6.314 1.00 0.00 C ATOM 1189 O CYS 3 25 32.630 5.960 -5.464 1.00 0.00 O ATOM 1190 CB CYS 3 25 34.004 7.103 -8.106 1.00 0.00 C ATOM 1191 SG CYS 3 25 35.029 8.348 -8.930 1.00 0.00 S ATOM 0 H CYS 3 25 34.589 7.336 -5.305 1.00 0.00 H new ATOM 0 HA CYS 3 25 32.691 8.622 -7.234 1.00 0.00 H new ATOM 0 HB2 CYS 3 25 34.626 6.281 -7.753 1.00 0.00 H new ATOM 0 HB3 CYS 3 25 33.288 6.681 -8.811 1.00 0.00 H new ATOM 0 HG CYS 3 25 34.884 9.494 -8.333 1.00 0.00 H new ATOM 1197 N TYR 3 26 31.040 6.790 -6.734 1.00 0.00 N ATOM 1198 CA TYR 3 26 30.035 5.843 -6.167 1.00 0.00 C ATOM 1199 C TYR 3 26 29.786 4.689 -7.143 1.00 0.00 C ATOM 1200 O TYR 3 26 29.257 4.878 -8.221 1.00 0.00 O ATOM 1201 CB TYR 3 26 28.766 6.672 -5.971 1.00 0.00 C ATOM 1202 CG TYR 3 26 27.625 5.771 -5.559 1.00 0.00 C ATOM 1203 CD1 TYR 3 26 26.700 5.330 -6.514 1.00 0.00 C ATOM 1204 CD2 TYR 3 26 27.489 5.379 -4.221 1.00 0.00 C ATOM 1205 CE1 TYR 3 26 25.640 4.500 -6.132 1.00 0.00 C ATOM 1206 CE2 TYR 3 26 26.429 4.546 -3.839 1.00 0.00 C ATOM 1207 CZ TYR 3 26 25.504 4.108 -4.794 1.00 0.00 C ATOM 1208 OH TYR 3 26 24.459 3.288 -4.418 1.00 0.00 O ATOM 0 H TYR 3 26 30.683 7.432 -7.442 1.00 0.00 H new ATOM 0 HA TYR 3 26 30.372 5.397 -5.231 1.00 0.00 H new ATOM 0 HB2 TYR 3 26 28.933 7.434 -5.210 1.00 0.00 H new ATOM 0 HB3 TYR 3 26 28.515 7.193 -6.895 1.00 0.00 H new ATOM 0 HD1 TYR 3 26 26.805 5.631 -7.546 1.00 0.00 H new ATOM 0 HD2 TYR 3 26 28.201 5.719 -3.484 1.00 0.00 H new ATOM 0 HE1 TYR 3 26 24.927 4.162 -6.869 1.00 0.00 H new ATOM 0 HE2 TYR 3 26 26.326 4.242 -2.808 1.00 0.00 H new ATOM 0 HH TYR 3 26 24.512 3.111 -3.456 1.00 0.00 H new ATOM 1218 N ARG 3 27 30.164 3.497 -6.771 1.00 0.00 N ATOM 1219 CA ARG 3 27 29.955 2.329 -7.675 1.00 0.00 C ATOM 1220 C ARG 3 27 28.566 1.726 -7.452 1.00 0.00 C ATOM 1221 O ARG 3 27 28.224 1.318 -6.359 1.00 0.00 O ATOM 1222 CB ARG 3 27 31.042 1.328 -7.282 1.00 0.00 C ATOM 1223 CG ARG 3 27 31.133 0.228 -8.340 1.00 0.00 C ATOM 1224 CD ARG 3 27 30.994 -1.139 -7.668 1.00 0.00 C ATOM 1225 NE ARG 3 27 29.535 -1.293 -7.409 1.00 0.00 N ATOM 1226 CZ ARG 3 27 29.120 -2.105 -6.475 1.00 0.00 C ATOM 1227 NH1 ARG 3 27 29.087 -3.390 -6.695 1.00 0.00 N ATOM 1228 NH2 ARG 3 27 28.739 -1.630 -5.320 1.00 0.00 N ATOM 0 H ARG 3 27 30.609 3.280 -5.879 1.00 0.00 H new ATOM 0 HA ARG 3 27 30.014 2.606 -8.728 1.00 0.00 H new ATOM 0 HB2 ARG 3 27 32.002 1.836 -7.188 1.00 0.00 H new ATOM 0 HB3 ARG 3 27 30.815 0.893 -6.309 1.00 0.00 H new ATOM 0 HG2 ARG 3 27 30.349 0.360 -9.085 1.00 0.00 H new ATOM 0 HG3 ARG 3 27 32.086 0.292 -8.865 1.00 0.00 H new ATOM 0 HD2 ARG 3 27 31.367 -1.935 -8.312 1.00 0.00 H new ATOM 0 HD3 ARG 3 27 31.566 -1.184 -6.742 1.00 0.00 H new ATOM 0 HE ARG 3 27 28.860 -0.764 -7.962 1.00 0.00 H new ATOM 0 HH11 ARG 3 27 29.386 -3.761 -7.597 1.00 0.00 H new ATOM 0 HH12 ARG 3 27 28.763 -4.024 -5.965 1.00 0.00 H new ATOM 0 HH21 ARG 3 27 28.766 -0.625 -5.148 1.00 0.00 H new ATOM 0 HH22 ARG 3 27 28.415 -2.264 -4.590 1.00 0.00 H new ATOM 1242 N ASP 3 28 27.761 1.661 -8.480 1.00 0.00 N ATOM 1243 CA ASP 3 28 26.397 1.079 -8.319 1.00 0.00 C ATOM 1244 C ASP 3 28 26.478 -0.454 -8.303 1.00 0.00 C ATOM 1245 O ASP 3 28 27.202 -1.039 -9.083 1.00 0.00 O ATOM 1246 CB ASP 3 28 25.613 1.561 -9.541 1.00 0.00 C ATOM 1247 CG ASP 3 28 25.077 2.969 -9.281 1.00 0.00 C ATOM 1248 OD1 ASP 3 28 25.805 3.915 -9.531 1.00 0.00 O ATOM 1249 OD2 ASP 3 28 23.946 3.078 -8.836 1.00 0.00 O ATOM 0 H ASP 3 28 27.988 1.984 -9.420 1.00 0.00 H new ATOM 0 HA ASP 3 28 25.924 1.384 -7.386 1.00 0.00 H new ATOM 0 HB2 ASP 3 28 26.256 1.562 -10.421 1.00 0.00 H new ATOM 0 HB3 ASP 3 28 24.788 0.879 -9.749 1.00 0.00 H new ATOM 1254 N PRO 3 29 25.730 -1.056 -7.415 1.00 0.00 N ATOM 1255 CA PRO 3 29 25.727 -2.536 -7.310 1.00 0.00 C ATOM 1256 C PRO 3 29 24.940 -3.166 -8.465 1.00 0.00 C ATOM 1257 O PRO 3 29 24.920 -4.369 -8.627 1.00 0.00 O ATOM 1258 CB PRO 3 29 25.026 -2.797 -5.980 1.00 0.00 C ATOM 1259 CG PRO 3 29 24.167 -1.594 -5.748 1.00 0.00 C ATOM 1260 CD PRO 3 29 24.831 -0.431 -6.438 1.00 0.00 C ATOM 0 HA PRO 3 29 26.728 -2.964 -7.359 1.00 0.00 H new ATOM 0 HB2 PRO 3 29 24.427 -3.707 -6.022 1.00 0.00 H new ATOM 0 HB3 PRO 3 29 25.747 -2.928 -5.173 1.00 0.00 H new ATOM 0 HG2 PRO 3 29 23.165 -1.755 -6.145 1.00 0.00 H new ATOM 0 HG3 PRO 3 29 24.060 -1.398 -4.681 1.00 0.00 H new ATOM 0 HD2 PRO 3 29 24.099 0.213 -6.926 1.00 0.00 H new ATOM 0 HD3 PRO 3 29 25.381 0.190 -5.731 1.00 0.00 H new ATOM 1268 N ARG 3 30 24.286 -2.369 -9.265 1.00 0.00 N ATOM 1269 CA ARG 3 30 23.502 -2.924 -10.396 1.00 0.00 C ATOM 1270 C ARG 3 30 24.410 -3.153 -11.599 1.00 0.00 C ATOM 1271 O ARG 3 30 24.176 -4.028 -12.409 1.00 0.00 O ATOM 1272 CB ARG 3 30 22.445 -1.863 -10.702 1.00 0.00 C ATOM 1273 CG ARG 3 30 21.232 -2.075 -9.791 1.00 0.00 C ATOM 1274 CD ARG 3 30 21.704 -2.333 -8.356 1.00 0.00 C ATOM 1275 NE ARG 3 30 20.455 -2.446 -7.552 1.00 0.00 N ATOM 1276 CZ ARG 3 30 20.287 -1.694 -6.500 1.00 0.00 C ATOM 1277 NH1 ARG 3 30 19.676 -0.546 -6.609 1.00 0.00 N ATOM 1278 NH2 ARG 3 30 20.732 -2.088 -5.337 1.00 0.00 N ATOM 0 H ARG 3 30 24.263 -1.353 -9.180 1.00 0.00 H new ATOM 0 HA ARG 3 30 23.049 -3.886 -10.158 1.00 0.00 H new ATOM 0 HB2 ARG 3 30 22.859 -0.867 -10.548 1.00 0.00 H new ATOM 0 HB3 ARG 3 30 22.144 -1.925 -11.748 1.00 0.00 H new ATOM 0 HG2 ARG 3 30 20.586 -1.198 -9.820 1.00 0.00 H new ATOM 0 HG3 ARG 3 30 20.640 -2.918 -10.147 1.00 0.00 H new ATOM 0 HD2 ARG 3 30 22.297 -3.246 -8.294 1.00 0.00 H new ATOM 0 HD3 ARG 3 30 22.333 -1.519 -7.995 1.00 0.00 H new ATOM 0 HE ARG 3 30 19.731 -3.111 -7.824 1.00 0.00 H new ATOM 0 HH11 ARG 3 30 19.330 -0.237 -7.517 1.00 0.00 H new ATOM 0 HH12 ARG 3 30 19.545 0.042 -5.786 1.00 0.00 H new ATOM 0 HH21 ARG 3 30 21.211 -2.984 -5.251 1.00 0.00 H new ATOM 0 HH22 ARG 3 30 20.600 -1.499 -4.514 1.00 0.00 H new ATOM 1292 N THR 3 31 25.440 -2.363 -11.734 1.00 0.00 N ATOM 1293 CA THR 3 31 26.341 -2.540 -12.901 1.00 0.00 C ATOM 1294 C THR 3 31 27.820 -2.492 -12.490 1.00 0.00 C ATOM 1295 O THR 3 31 28.663 -3.089 -13.130 1.00 0.00 O ATOM 1296 CB THR 3 31 26.007 -1.381 -13.839 1.00 0.00 C ATOM 1297 OG1 THR 3 31 27.210 -0.774 -14.288 1.00 0.00 O ATOM 1298 CG2 THR 3 31 25.158 -0.353 -13.094 1.00 0.00 C ATOM 0 H THR 3 31 25.693 -1.611 -11.093 1.00 0.00 H new ATOM 0 HA THR 3 31 26.194 -3.512 -13.371 1.00 0.00 H new ATOM 0 HB THR 3 31 25.450 -1.755 -14.698 1.00 0.00 H new ATOM 0 HG1 THR 3 31 27.034 -0.266 -15.107 1.00 0.00 H new ATOM 0 HG21 THR 3 31 24.919 0.474 -13.762 1.00 0.00 H new ATOM 0 HG22 THR 3 31 24.235 -0.822 -12.753 1.00 0.00 H new ATOM 0 HG23 THR 3 31 25.713 0.023 -12.235 1.00 0.00 H new ATOM 1306 N GLY 3 32 28.147 -1.791 -11.439 1.00 0.00 N ATOM 1307 CA GLY 3 32 29.575 -1.719 -11.014 1.00 0.00 C ATOM 1308 C GLY 3 32 30.257 -0.497 -11.646 1.00 0.00 C ATOM 1309 O GLY 3 32 31.429 -0.259 -11.437 1.00 0.00 O ATOM 0 H GLY 3 32 27.492 -1.267 -10.859 1.00 0.00 H new ATOM 0 HA2 GLY 3 32 29.636 -1.657 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY 3 32 30.096 -2.629 -11.311 1.00 0.00 H new ATOM 1313 N LYS 3 33 29.535 0.288 -12.403 1.00 0.00 N ATOM 1314 CA LYS 3 33 30.150 1.497 -13.024 1.00 0.00 C ATOM 1315 C LYS 3 33 30.195 2.617 -11.984 1.00 0.00 C ATOM 1316 O LYS 3 33 29.801 2.409 -10.854 1.00 0.00 O ATOM 1317 CB LYS 3 33 29.272 1.828 -14.224 1.00 0.00 C ATOM 1318 CG LYS 3 33 30.029 1.432 -15.473 1.00 0.00 C ATOM 1319 CD LYS 3 33 30.431 -0.029 -15.354 1.00 0.00 C ATOM 1320 CE LYS 3 33 30.387 -0.636 -16.736 1.00 0.00 C ATOM 1321 NZ LYS 3 33 29.886 -2.026 -16.541 1.00 0.00 N ATOM 0 H LYS 3 33 28.548 0.144 -12.617 1.00 0.00 H new ATOM 0 HA LYS 3 33 31.178 1.348 -13.355 1.00 0.00 H new ATOM 0 HB2 LYS 3 33 28.325 1.291 -14.165 1.00 0.00 H new ATOM 0 HB3 LYS 3 33 29.035 2.892 -14.242 1.00 0.00 H new ATOM 0 HG2 LYS 3 33 29.407 1.583 -16.356 1.00 0.00 H new ATOM 0 HG3 LYS 3 33 30.912 2.059 -15.595 1.00 0.00 H new ATOM 0 HD2 LYS 3 33 31.432 -0.116 -14.931 1.00 0.00 H new ATOM 0 HD3 LYS 3 33 29.754 -0.558 -14.683 1.00 0.00 H new ATOM 0 HE2 LYS 3 33 29.728 -0.069 -17.393 1.00 0.00 H new ATOM 0 HE3 LYS 3 33 31.375 -0.635 -17.197 1.00 0.00 H new ATOM 0 HZ1 LYS 3 33 29.830 -2.507 -17.461 1.00 0.00 H new ATOM 0 HZ2 LYS 3 33 30.537 -2.545 -15.918 1.00 0.00 H new ATOM 0 HZ3 LYS 3 33 28.941 -1.997 -16.108 1.00 0.00 H new ATOM 1335 N GLU 3 34 30.704 3.786 -12.299 1.00 0.00 N ATOM 1336 CA GLU 3 34 30.771 4.810 -11.214 1.00 0.00 C ATOM 1337 C GLU 3 34 30.557 6.233 -11.717 1.00 0.00 C ATOM 1338 O GLU 3 34 30.510 6.503 -12.901 1.00 0.00 O ATOM 1339 CB GLU 3 34 32.186 4.674 -10.648 1.00 0.00 C ATOM 1340 CG GLU 3 34 32.189 3.661 -9.501 1.00 0.00 C ATOM 1341 CD GLU 3 34 33.631 3.329 -9.117 1.00 0.00 C ATOM 1342 OE1 GLU 3 34 34.184 4.040 -8.295 1.00 0.00 O ATOM 1343 OE2 GLU 3 34 34.159 2.367 -9.651 1.00 0.00 O ATOM 0 H GLU 3 34 31.059 4.065 -13.214 1.00 0.00 H new ATOM 0 HA GLU 3 34 29.982 4.640 -10.481 1.00 0.00 H new ATOM 0 HB2 GLU 3 34 32.872 4.352 -11.432 1.00 0.00 H new ATOM 0 HB3 GLU 3 34 32.540 5.642 -10.292 1.00 0.00 H new ATOM 0 HG2 GLU 3 34 31.657 4.068 -8.641 1.00 0.00 H new ATOM 0 HG3 GLU 3 34 31.664 2.754 -9.801 1.00 0.00 H new ATOM 1350 N PHE 3 35 30.437 7.145 -10.790 1.00 0.00 N ATOM 1351 CA PHE 3 35 30.233 8.573 -11.138 1.00 0.00 C ATOM 1352 C PHE 3 35 31.055 9.444 -10.183 1.00 0.00 C ATOM 1353 O PHE 3 35 31.090 9.206 -8.990 1.00 0.00 O ATOM 1354 CB PHE 3 35 28.740 8.818 -10.928 1.00 0.00 C ATOM 1355 CG PHE 3 35 28.057 8.936 -12.266 1.00 0.00 C ATOM 1356 CD1 PHE 3 35 27.527 10.164 -12.676 1.00 0.00 C ATOM 1357 CD2 PHE 3 35 27.954 7.816 -13.097 1.00 0.00 C ATOM 1358 CE1 PHE 3 35 26.893 10.271 -13.918 1.00 0.00 C ATOM 1359 CE2 PHE 3 35 27.322 7.922 -14.338 1.00 0.00 C ATOM 1360 CZ PHE 3 35 26.790 9.150 -14.750 1.00 0.00 C ATOM 0 H PHE 3 35 30.473 6.953 -9.789 1.00 0.00 H new ATOM 0 HA PHE 3 35 30.543 8.811 -12.155 1.00 0.00 H new ATOM 0 HB2 PHE 3 35 28.303 8.000 -10.356 1.00 0.00 H new ATOM 0 HB3 PHE 3 35 28.588 9.729 -10.349 1.00 0.00 H new ATOM 0 HD1 PHE 3 35 27.607 11.029 -12.034 1.00 0.00 H new ATOM 0 HD2 PHE 3 35 28.363 6.869 -12.779 1.00 0.00 H new ATOM 0 HE1 PHE 3 35 26.483 11.218 -14.235 1.00 0.00 H new ATOM 0 HE2 PHE 3 35 27.244 7.057 -14.980 1.00 0.00 H new ATOM 0 HZ PHE 3 35 26.300 9.232 -15.709 1.00 0.00 H new ATOM 1370 N GLY 3 36 31.724 10.444 -10.691 1.00 0.00 N ATOM 1371 CA GLY 3 36 32.544 11.315 -9.806 1.00 0.00 C ATOM 1372 C GLY 3 36 31.680 11.851 -8.663 1.00 0.00 C ATOM 1373 O GLY 3 36 30.714 12.556 -8.880 1.00 0.00 O ATOM 0 H GLY 3 36 31.737 10.694 -11.680 1.00 0.00 H new ATOM 0 HA2 GLY 3 36 33.386 10.751 -9.404 1.00 0.00 H new ATOM 0 HA3 GLY 3 36 32.960 12.144 -10.379 1.00 0.00 H new ATOM 1377 N LEU 3 37 32.024 11.529 -7.446 1.00 0.00 N ATOM 1378 CA LEU 3 37 31.228 12.029 -6.287 1.00 0.00 C ATOM 1379 C LEU 3 37 31.769 13.384 -5.837 1.00 0.00 C ATOM 1380 O LEU 3 37 31.170 14.414 -6.077 1.00 0.00 O ATOM 1381 CB LEU 3 37 31.414 10.981 -5.191 1.00 0.00 C ATOM 1382 CG LEU 3 37 30.044 10.476 -4.731 1.00 0.00 C ATOM 1383 CD1 LEU 3 37 29.247 11.636 -4.132 1.00 0.00 C ATOM 1384 CD2 LEU 3 37 29.281 9.903 -5.929 1.00 0.00 C ATOM 0 H LEU 3 37 32.822 10.941 -7.203 1.00 0.00 H new ATOM 0 HA LEU 3 37 30.175 12.168 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU 3 37 32.013 10.151 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU 3 37 31.956 11.412 -4.349 1.00 0.00 H new ATOM 0 HG LEU 3 37 30.179 9.699 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU 3 37 28.272 11.276 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU 3 37 29.787 12.047 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU 3 37 29.113 12.413 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU 3 37 28.306 9.544 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU 3 37 29.147 10.681 -6.681 1.00 0.00 H new ATOM 0 HD23 LEU 3 37 29.847 9.076 -6.359 1.00 0.00 H new ATOM 1396 N GLY 3 38 32.900 13.394 -5.193 1.00 0.00 N ATOM 1397 CA GLY 3 38 33.481 14.685 -4.736 1.00 0.00 C ATOM 1398 C GLY 3 38 34.966 14.495 -4.440 1.00 0.00 C ATOM 1399 O GLY 3 38 35.422 13.397 -4.187 1.00 0.00 O ATOM 0 H GLY 3 38 33.447 12.565 -4.963 1.00 0.00 H new ATOM 0 HA2 GLY 3 38 33.346 15.449 -5.502 1.00 0.00 H new ATOM 0 HA3 GLY 3 38 32.962 15.034 -3.843 1.00 0.00 H new ATOM 1403 N ARG 3 39 35.727 15.553 -4.455 1.00 0.00 N ATOM 1404 CA ARG 3 39 37.180 15.417 -4.160 1.00 0.00 C ATOM 1405 C ARG 3 39 37.402 15.467 -2.644 1.00 0.00 C ATOM 1406 O ARG 3 39 38.466 15.142 -2.154 1.00 0.00 O ATOM 1407 CB ARG 3 39 37.856 16.609 -4.841 1.00 0.00 C ATOM 1408 CG ARG 3 39 37.235 16.855 -6.219 1.00 0.00 C ATOM 1409 CD ARG 3 39 36.440 18.163 -6.190 1.00 0.00 C ATOM 1410 NE ARG 3 39 35.068 17.793 -6.632 1.00 0.00 N ATOM 1411 CZ ARG 3 39 34.180 18.724 -6.849 1.00 0.00 C ATOM 1412 NH1 ARG 3 39 33.956 19.637 -5.943 1.00 0.00 N ATOM 1413 NH2 ARG 3 39 33.519 18.746 -7.973 1.00 0.00 N ATOM 0 H ARG 3 39 35.408 16.501 -4.657 1.00 0.00 H new ATOM 0 HA ARG 3 39 37.587 14.473 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG 3 39 37.748 17.500 -4.222 1.00 0.00 H new ATOM 0 HB3 ARG 3 39 38.924 16.420 -4.944 1.00 0.00 H new ATOM 0 HG2 ARG 3 39 38.015 16.907 -6.978 1.00 0.00 H new ATOM 0 HG3 ARG 3 39 36.582 16.025 -6.490 1.00 0.00 H new ATOM 0 HD2 ARG 3 39 36.429 18.595 -5.189 1.00 0.00 H new ATOM 0 HD3 ARG 3 39 36.881 18.907 -6.854 1.00 0.00 H new ATOM 0 HE ARG 3 39 34.822 16.812 -6.765 1.00 0.00 H new ATOM 0 HH11 ARG 3 39 34.475 19.623 -5.065 1.00 0.00 H new ATOM 0 HH12 ARG 3 39 33.262 20.365 -6.113 1.00 0.00 H new ATOM 0 HH21 ARG 3 39 33.696 18.035 -8.683 1.00 0.00 H new ATOM 0 HH22 ARG 3 39 32.825 19.474 -8.142 1.00 0.00 H new ATOM 1427 N ASP 3 40 36.400 15.853 -1.896 1.00 0.00 N ATOM 1428 CA ASP 3 40 36.550 15.899 -0.417 1.00 0.00 C ATOM 1429 C ASP 3 40 36.369 14.491 0.150 1.00 0.00 C ATOM 1430 O ASP 3 40 35.651 13.676 -0.392 1.00 0.00 O ATOM 1431 CB ASP 3 40 35.452 16.847 0.066 1.00 0.00 C ATOM 1432 CG ASP 3 40 35.993 18.278 0.101 1.00 0.00 C ATOM 1433 OD1 ASP 3 40 37.114 18.477 -0.336 1.00 0.00 O ATOM 1434 OD2 ASP 3 40 35.276 19.150 0.564 1.00 0.00 O ATOM 0 H ASP 3 40 35.486 16.138 -2.249 1.00 0.00 H new ATOM 0 HA ASP 3 40 37.532 16.247 -0.095 1.00 0.00 H new ATOM 0 HB2 ASP 3 40 34.589 16.789 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP 3 40 35.112 16.551 1.058 1.00 0.00 H new ATOM 1439 N ARG 3 41 37.041 14.200 1.222 1.00 0.00 N ATOM 1440 CA ARG 3 41 36.952 12.840 1.828 1.00 0.00 C ATOM 1441 C ARG 3 41 35.659 12.682 2.625 1.00 0.00 C ATOM 1442 O ARG 3 41 34.910 11.746 2.434 1.00 0.00 O ATOM 1443 CB ARG 3 41 38.168 12.752 2.754 1.00 0.00 C ATOM 1444 CG ARG 3 41 38.220 11.370 3.405 1.00 0.00 C ATOM 1445 CD ARG 3 41 37.515 11.417 4.763 1.00 0.00 C ATOM 1446 NE ARG 3 41 38.299 10.499 5.635 1.00 0.00 N ATOM 1447 CZ ARG 3 41 39.083 10.986 6.556 1.00 0.00 C ATOM 1448 NH1 ARG 3 41 38.581 11.686 7.537 1.00 0.00 N ATOM 1449 NH2 ARG 3 41 40.370 10.774 6.497 1.00 0.00 N ATOM 0 H ARG 3 41 37.656 14.850 1.713 1.00 0.00 H new ATOM 0 HA ARG 3 41 36.944 12.054 1.073 1.00 0.00 H new ATOM 0 HB2 ARG 3 41 39.082 12.933 2.188 1.00 0.00 H new ATOM 0 HB3 ARG 3 41 38.110 13.524 3.521 1.00 0.00 H new ATOM 0 HG2 ARG 3 41 37.740 10.634 2.760 1.00 0.00 H new ATOM 0 HG3 ARG 3 41 39.256 11.055 3.532 1.00 0.00 H new ATOM 0 HD2 ARG 3 41 37.502 12.430 5.166 1.00 0.00 H new ATOM 0 HD3 ARG 3 41 36.477 11.093 4.681 1.00 0.00 H new ATOM 0 HE ARG 3 41 38.223 9.489 5.512 1.00 0.00 H new ATOM 0 HH11 ARG 3 41 37.576 11.852 7.583 1.00 0.00 H new ATOM 0 HH12 ARG 3 41 39.194 12.067 8.258 1.00 0.00 H new ATOM 0 HH21 ARG 3 41 40.762 10.227 5.730 1.00 0.00 H new ATOM 0 HH22 ARG 3 41 40.983 11.155 7.218 1.00 0.00 H new ATOM 1463 N ARG 3 42 35.393 13.592 3.516 1.00 0.00 N ATOM 1464 CA ARG 3 42 34.148 13.490 4.330 1.00 0.00 C ATOM 1465 C ARG 3 42 32.925 13.684 3.438 1.00 0.00 C ATOM 1466 O ARG 3 42 31.843 13.230 3.741 1.00 0.00 O ATOM 1467 CB ARG 3 42 34.249 14.619 5.357 1.00 0.00 C ATOM 1468 CG ARG 3 42 33.385 15.801 4.910 1.00 0.00 C ATOM 1469 CD ARG 3 42 33.604 16.983 5.855 1.00 0.00 C ATOM 1470 NE ARG 3 42 32.716 18.059 5.335 1.00 0.00 N ATOM 1471 CZ ARG 3 42 33.166 19.278 5.217 1.00 0.00 C ATOM 1472 NH1 ARG 3 42 34.145 19.536 4.395 1.00 0.00 N ATOM 1473 NH2 ARG 3 42 32.635 20.240 5.923 1.00 0.00 N ATOM 0 H ARG 3 42 35.981 14.401 3.717 1.00 0.00 H new ATOM 0 HA ARG 3 42 34.044 12.516 4.809 1.00 0.00 H new ATOM 0 HB2 ARG 3 42 33.921 14.265 6.334 1.00 0.00 H new ATOM 0 HB3 ARG 3 42 35.287 14.935 5.464 1.00 0.00 H new ATOM 0 HG2 ARG 3 42 33.641 16.086 3.890 1.00 0.00 H new ATOM 0 HG3 ARG 3 42 32.333 15.515 4.907 1.00 0.00 H new ATOM 0 HD2 ARG 3 42 33.348 16.721 6.881 1.00 0.00 H new ATOM 0 HD3 ARG 3 42 34.647 17.299 5.858 1.00 0.00 H new ATOM 0 HE ARG 3 42 31.755 17.843 5.071 1.00 0.00 H new ATOM 0 HH11 ARG 3 42 34.560 18.785 3.844 1.00 0.00 H new ATOM 0 HH12 ARG 3 42 34.496 20.489 4.303 1.00 0.00 H new ATOM 0 HH21 ARG 3 42 31.869 20.038 6.566 1.00 0.00 H new ATOM 0 HH22 ARG 3 42 32.986 21.193 5.832 1.00 0.00 H new ATOM 1487 N ILE 3 43 33.095 14.373 2.348 1.00 0.00 N ATOM 1488 CA ILE 3 43 31.955 14.630 1.424 1.00 0.00 C ATOM 1489 C ILE 3 43 31.582 13.380 0.614 1.00 0.00 C ATOM 1490 O ILE 3 43 30.493 12.855 0.734 1.00 0.00 O ATOM 1491 CB ILE 3 43 32.488 15.720 0.499 1.00 0.00 C ATOM 1492 CG1 ILE 3 43 32.501 17.071 1.228 1.00 0.00 C ATOM 1493 CG2 ILE 3 43 31.602 15.818 -0.744 1.00 0.00 C ATOM 1494 CD1 ILE 3 43 31.137 17.337 1.869 1.00 0.00 C ATOM 0 H ILE 3 43 33.985 14.775 2.053 1.00 0.00 H new ATOM 0 HA ILE 3 43 31.048 14.913 1.958 1.00 0.00 H new ATOM 0 HB ILE 3 43 33.506 15.466 0.202 1.00 0.00 H new ATOM 0 HG12 ILE 3 43 33.277 17.072 1.993 1.00 0.00 H new ATOM 0 HG13 ILE 3 43 32.743 17.869 0.526 1.00 0.00 H new ATOM 0 HG21 ILE 3 43 31.985 16.597 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE 3 43 31.606 14.863 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE 3 43 30.583 16.063 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE 3 43 31.158 18.298 2.383 1.00 0.00 H new ATOM 0 HD12 ILE 3 43 30.369 17.356 1.096 1.00 0.00 H new ATOM 0 HD13 ILE 3 43 30.911 16.547 2.585 1.00 0.00 H new ATOM 1506 N ALA 3 44 32.468 12.913 -0.224 1.00 0.00 N ATOM 1507 CA ALA 3 44 32.154 11.713 -1.058 1.00 0.00 C ATOM 1508 C ALA 3 44 31.760 10.526 -0.177 1.00 0.00 C ATOM 1509 O ALA 3 44 30.770 9.863 -0.418 1.00 0.00 O ATOM 1510 CB ALA 3 44 33.447 11.411 -1.806 1.00 0.00 C ATOM 0 H ALA 3 44 33.397 13.310 -0.368 1.00 0.00 H new ATOM 0 HA ALA 3 44 31.316 11.892 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA 3 44 33.303 10.539 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA 3 44 33.721 12.269 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA 3 44 34.243 11.208 -1.089 1.00 0.00 H new ATOM 1516 N ILE 3 45 32.528 10.246 0.840 1.00 0.00 N ATOM 1517 CA ILE 3 45 32.194 9.096 1.728 1.00 0.00 C ATOM 1518 C ILE 3 45 30.833 9.322 2.398 1.00 0.00 C ATOM 1519 O ILE 3 45 30.020 8.425 2.493 1.00 0.00 O ATOM 1520 CB ILE 3 45 33.305 9.066 2.776 1.00 0.00 C ATOM 1521 CG1 ILE 3 45 34.546 8.367 2.201 1.00 0.00 C ATOM 1522 CG2 ILE 3 45 32.811 8.305 4.004 1.00 0.00 C ATOM 1523 CD1 ILE 3 45 35.783 9.221 2.482 1.00 0.00 C ATOM 0 H ILE 3 45 33.370 10.762 1.094 1.00 0.00 H new ATOM 0 HA ILE 3 45 32.127 8.158 1.178 1.00 0.00 H new ATOM 0 HB ILE 3 45 33.570 10.086 3.056 1.00 0.00 H new ATOM 0 HG12 ILE 3 45 34.662 7.380 2.649 1.00 0.00 H new ATOM 0 HG13 ILE 3 45 34.429 8.218 1.128 1.00 0.00 H new ATOM 0 HG21 ILE 3 45 33.599 8.279 4.757 1.00 0.00 H new ATOM 0 HG22 ILE 3 45 31.934 8.806 4.414 1.00 0.00 H new ATOM 0 HG23 ILE 3 45 32.548 7.286 3.719 1.00 0.00 H new ATOM 0 HD11 ILE 3 45 36.666 8.728 2.075 1.00 0.00 H new ATOM 0 HD12 ILE 3 45 35.665 10.198 2.013 1.00 0.00 H new ATOM 0 HD13 ILE 3 45 35.901 9.347 3.558 1.00 0.00 H new ATOM 1535 N THR 3 46 30.583 10.515 2.864 1.00 0.00 N ATOM 1536 CA THR 3 46 29.278 10.807 3.529 1.00 0.00 C ATOM 1537 C THR 3 46 28.114 10.455 2.601 1.00 0.00 C ATOM 1538 O THR 3 46 27.133 9.865 3.007 1.00 0.00 O ATOM 1539 CB THR 3 46 29.304 12.315 3.786 1.00 0.00 C ATOM 1540 OG1 THR 3 46 29.908 12.572 5.047 1.00 0.00 O ATOM 1541 CG2 THR 3 46 27.879 12.870 3.779 1.00 0.00 C ATOM 0 H THR 3 46 31.228 11.304 2.813 1.00 0.00 H new ATOM 0 HA THR 3 46 29.144 10.228 4.443 1.00 0.00 H new ATOM 0 HB THR 3 46 29.881 12.802 2.999 1.00 0.00 H new ATOM 0 HG1 THR 3 46 30.882 12.599 4.944 1.00 0.00 H new ATOM 0 HG21 THR 3 46 27.906 13.944 3.963 1.00 0.00 H new ATOM 0 HG22 THR 3 46 27.419 12.679 2.809 1.00 0.00 H new ATOM 0 HG23 THR 3 46 27.295 12.383 4.560 1.00 0.00 H new ATOM 1549 N GLU 3 47 28.218 10.826 1.356 1.00 0.00 N ATOM 1550 CA GLU 3 47 27.120 10.531 0.389 1.00 0.00 C ATOM 1551 C GLU 3 47 26.885 9.022 0.284 1.00 0.00 C ATOM 1552 O GLU 3 47 25.769 8.548 0.384 1.00 0.00 O ATOM 1553 CB GLU 3 47 27.613 11.090 -0.945 1.00 0.00 C ATOM 1554 CG GLU 3 47 27.896 12.587 -0.798 1.00 0.00 C ATOM 1555 CD GLU 3 47 26.782 13.387 -1.476 1.00 0.00 C ATOM 1556 OE1 GLU 3 47 26.298 12.937 -2.501 1.00 0.00 O ATOM 1557 OE2 GLU 3 47 26.432 14.433 -0.957 1.00 0.00 O ATOM 0 H GLU 3 47 29.018 11.322 0.963 1.00 0.00 H new ATOM 0 HA GLU 3 47 26.172 10.973 0.697 1.00 0.00 H new ATOM 0 HB2 GLU 3 47 28.517 10.567 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU 3 47 26.864 10.925 -1.720 1.00 0.00 H new ATOM 0 HG2 GLU 3 47 27.959 12.854 0.257 1.00 0.00 H new ATOM 0 HG3 GLU 3 47 28.859 12.832 -1.247 1.00 0.00 H new ATOM 1564 N ALA 3 48 27.926 8.265 0.077 1.00 0.00 N ATOM 1565 CA ALA 3 48 27.760 6.790 -0.041 1.00 0.00 C ATOM 1566 C ALA 3 48 27.149 6.215 1.238 1.00 0.00 C ATOM 1567 O ALA 3 48 26.372 5.283 1.198 1.00 0.00 O ATOM 1568 CB ALA 3 48 29.174 6.253 -0.248 1.00 0.00 C ATOM 0 H ALA 3 48 28.884 8.604 -0.015 1.00 0.00 H new ATOM 0 HA ALA 3 48 27.092 6.515 -0.857 1.00 0.00 H new ATOM 0 HB1 ALA 3 48 29.141 5.168 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA 3 48 29.598 6.685 -1.154 1.00 0.00 H new ATOM 0 HB3 ALA 3 48 29.794 6.522 0.607 1.00 0.00 H new ATOM 1574 N ILE 3 49 27.491 6.759 2.373 1.00 0.00 N ATOM 1575 CA ILE 3 49 26.925 6.232 3.647 1.00 0.00 C ATOM 1576 C ILE 3 49 25.401 6.375 3.645 1.00 0.00 C ATOM 1577 O ILE 3 49 24.686 5.475 4.034 1.00 0.00 O ATOM 1578 CB ILE 3 49 27.536 7.099 4.746 1.00 0.00 C ATOM 1579 CG1 ILE 3 49 28.697 6.349 5.404 1.00 0.00 C ATOM 1580 CG2 ILE 3 49 26.471 7.410 5.801 1.00 0.00 C ATOM 1581 CD1 ILE 3 49 30.020 7.026 5.036 1.00 0.00 C ATOM 0 H ILE 3 49 28.136 7.543 2.474 1.00 0.00 H new ATOM 0 HA ILE 3 49 27.150 5.175 3.789 1.00 0.00 H new ATOM 0 HB ILE 3 49 27.903 8.029 4.311 1.00 0.00 H new ATOM 0 HG12 ILE 3 49 28.570 6.340 6.487 1.00 0.00 H new ATOM 0 HG13 ILE 3 49 28.705 5.310 5.075 1.00 0.00 H new ATOM 0 HG21 ILE 3 49 26.906 8.029 6.586 1.00 0.00 H new ATOM 0 HG22 ILE 3 49 25.643 7.944 5.335 1.00 0.00 H new ATOM 0 HG23 ILE 3 49 26.105 6.479 6.234 1.00 0.00 H new ATOM 0 HD11 ILE 3 49 30.845 6.491 5.505 1.00 0.00 H new ATOM 0 HD12 ILE 3 49 30.147 7.012 3.954 1.00 0.00 H new ATOM 0 HD13 ILE 3 49 30.011 8.058 5.387 1.00 0.00 H new ATOM 1593 N GLN 3 50 24.903 7.501 3.213 1.00 0.00 N ATOM 1594 CA GLN 3 50 23.426 7.705 3.195 1.00 0.00 C ATOM 1595 C GLN 3 50 22.751 6.674 2.293 1.00 0.00 C ATOM 1596 O GLN 3 50 21.823 5.989 2.689 1.00 0.00 O ATOM 1597 CB GLN 3 50 23.224 9.116 2.643 1.00 0.00 C ATOM 1598 CG GLN 3 50 23.640 10.143 3.697 1.00 0.00 C ATOM 1599 CD GLN 3 50 22.443 11.029 4.047 1.00 0.00 C ATOM 1600 OE1 GLN 3 50 22.173 11.276 5.206 1.00 0.00 O ATOM 1601 NE2 GLN 3 50 21.709 11.521 3.087 1.00 0.00 N ATOM 0 H GLN 3 50 25.454 8.288 2.872 1.00 0.00 H new ATOM 0 HA GLN 3 50 22.987 7.588 4.186 1.00 0.00 H new ATOM 0 HB2 GLN 3 50 23.814 9.251 1.736 1.00 0.00 H new ATOM 0 HB3 GLN 3 50 22.180 9.264 2.369 1.00 0.00 H new ATOM 0 HG2 GLN 3 50 24.004 9.636 4.590 1.00 0.00 H new ATOM 0 HG3 GLN 3 50 24.460 10.754 3.321 1.00 0.00 H new ATOM 0 HE21 GLN 3 50 21.936 11.314 2.114 1.00 0.00 H new ATOM 0 HE22 GLN 3 50 20.909 12.113 3.309 1.00 0.00 H new ATOM 1610 N ALA 3 51 23.211 6.554 1.085 1.00 0.00 N ATOM 1611 CA ALA 3 51 22.596 5.562 0.162 1.00 0.00 C ATOM 1612 C ALA 3 51 22.651 4.181 0.806 1.00 0.00 C ATOM 1613 O ALA 3 51 21.723 3.401 0.717 1.00 0.00 O ATOM 1614 CB ALA 3 51 23.454 5.605 -1.103 1.00 0.00 C ATOM 0 H ALA 3 51 23.982 7.096 0.695 1.00 0.00 H new ATOM 0 HA ALA 3 51 21.551 5.780 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA 3 51 23.061 4.897 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA 3 51 23.432 6.610 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA 3 51 24.481 5.338 -0.855 1.00 0.00 H new ATOM 1620 N ASN 3 52 23.731 3.880 1.471 1.00 0.00 N ATOM 1621 CA ASN 3 52 23.850 2.558 2.143 1.00 0.00 C ATOM 1622 C ASN 3 52 22.751 2.408 3.193 1.00 0.00 C ATOM 1623 O ASN 3 52 22.277 1.320 3.455 1.00 0.00 O ATOM 1624 CB ASN 3 52 25.228 2.575 2.800 1.00 0.00 C ATOM 1625 CG ASN 3 52 26.302 2.669 1.716 1.00 0.00 C ATOM 1626 OD1 ASN 3 52 26.069 2.301 0.582 1.00 0.00 O ATOM 1627 ND2 ASN 3 52 27.475 3.151 2.018 1.00 0.00 N ATOM 0 H ASN 3 52 24.538 4.495 1.578 1.00 0.00 H new ATOM 0 HA ASN 3 52 23.743 1.724 1.450 1.00 0.00 H new ATOM 0 HB2 ASN 3 52 25.308 3.421 3.482 1.00 0.00 H new ATOM 0 HB3 ASN 3 52 25.372 1.672 3.394 1.00 0.00 H new ATOM 0 HD21 ASN 3 52 28.198 3.219 1.302 1.00 0.00 H new ATOM 0 HD22 ASN 3 52 27.670 3.460 2.970 1.00 0.00 H new ATOM 1634 N ILE 3 53 22.324 3.490 3.790 1.00 0.00 N ATOM 1635 CA ILE 3 53 21.240 3.379 4.804 1.00 0.00 C ATOM 1636 C ILE 3 53 19.991 2.865 4.103 1.00 0.00 C ATOM 1637 O ILE 3 53 19.355 1.929 4.542 1.00 0.00 O ATOM 1638 CB ILE 3 53 21.006 4.798 5.331 1.00 0.00 C ATOM 1639 CG1 ILE 3 53 22.321 5.395 5.838 1.00 0.00 C ATOM 1640 CG2 ILE 3 53 19.997 4.751 6.479 1.00 0.00 C ATOM 1641 CD1 ILE 3 53 23.220 4.285 6.384 1.00 0.00 C ATOM 0 H ILE 3 53 22.675 4.433 3.621 1.00 0.00 H new ATOM 0 HA ILE 3 53 21.491 2.701 5.620 1.00 0.00 H new ATOM 0 HB ILE 3 53 20.620 5.419 4.523 1.00 0.00 H new ATOM 0 HG12 ILE 3 53 22.828 5.920 5.029 1.00 0.00 H new ATOM 0 HG13 ILE 3 53 22.120 6.129 6.618 1.00 0.00 H new ATOM 0 HG21 ILE 3 53 19.828 5.760 6.857 1.00 0.00 H new ATOM 0 HG22 ILE 3 53 19.056 4.336 6.119 1.00 0.00 H new ATOM 0 HG23 ILE 3 53 20.387 4.124 7.281 1.00 0.00 H new ATOM 0 HD11 ILE 3 53 24.154 4.717 6.743 1.00 0.00 H new ATOM 0 HD12 ILE 3 53 22.714 3.779 7.206 1.00 0.00 H new ATOM 0 HD13 ILE 3 53 23.433 3.567 5.592 1.00 0.00 H new ATOM 1653 N GLU 3 54 19.653 3.461 2.996 1.00 0.00 N ATOM 1654 CA GLU 3 54 18.461 2.992 2.238 1.00 0.00 C ATOM 1655 C GLU 3 54 18.723 1.578 1.712 1.00 0.00 C ATOM 1656 O GLU 3 54 17.897 0.695 1.829 1.00 0.00 O ATOM 1657 CB GLU 3 54 18.304 3.981 1.082 1.00 0.00 C ATOM 1658 CG GLU 3 54 18.111 5.393 1.640 1.00 0.00 C ATOM 1659 CD GLU 3 54 16.870 5.422 2.535 1.00 0.00 C ATOM 1660 OE1 GLU 3 54 15.820 5.805 2.045 1.00 0.00 O ATOM 1661 OE2 GLU 3 54 16.991 5.063 3.695 1.00 0.00 O ATOM 0 H GLU 3 54 20.149 4.251 2.583 1.00 0.00 H new ATOM 0 HA GLU 3 54 17.560 2.952 2.850 1.00 0.00 H new ATOM 0 HB2 GLU 3 54 19.185 3.949 0.440 1.00 0.00 H new ATOM 0 HB3 GLU 3 54 17.450 3.703 0.465 1.00 0.00 H new ATOM 0 HG2 GLU 3 54 18.990 5.694 2.209 1.00 0.00 H new ATOM 0 HG3 GLU 3 54 18.000 6.106 0.823 1.00 0.00 H new ATOM 1668 N LEU 3 55 19.878 1.359 1.140 1.00 0.00 N ATOM 1669 CA LEU 3 55 20.210 0.004 0.610 1.00 0.00 C ATOM 1670 C LEU 3 55 20.116 -1.042 1.726 1.00 0.00 C ATOM 1671 O LEU 3 55 19.829 -2.197 1.483 1.00 0.00 O ATOM 1672 CB LEU 3 55 21.650 0.115 0.098 1.00 0.00 C ATOM 1673 CG LEU 3 55 21.648 0.620 -1.350 1.00 0.00 C ATOM 1674 CD1 LEU 3 55 23.072 0.999 -1.765 1.00 0.00 C ATOM 1675 CD2 LEU 3 55 21.131 -0.483 -2.277 1.00 0.00 C ATOM 0 H LEU 3 55 20.607 2.062 1.017 1.00 0.00 H new ATOM 0 HA LEU 3 55 19.522 -0.308 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU 3 55 22.219 0.797 0.730 1.00 0.00 H new ATOM 0 HB3 LEU 3 55 22.142 -0.856 0.154 1.00 0.00 H new ATOM 0 HG LEU 3 55 21.001 1.494 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU 3 55 23.068 1.357 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU 3 55 23.445 1.785 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU 3 55 23.718 0.125 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU 3 55 21.130 -0.123 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU 3 55 21.778 -1.357 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU 3 55 20.116 -0.756 -1.987 1.00 0.00 H new ATOM 1687 N PHE 3 56 20.361 -0.647 2.946 1.00 0.00 N ATOM 1688 CA PHE 3 56 20.295 -1.621 4.078 1.00 0.00 C ATOM 1689 C PHE 3 56 18.992 -1.457 4.873 1.00 0.00 C ATOM 1690 O PHE 3 56 18.821 -2.059 5.916 1.00 0.00 O ATOM 1691 CB PHE 3 56 21.499 -1.285 4.958 1.00 0.00 C ATOM 1692 CG PHE 3 56 22.719 -2.010 4.445 1.00 0.00 C ATOM 1693 CD1 PHE 3 56 23.902 -1.301 4.203 1.00 0.00 C ATOM 1694 CD2 PHE 3 56 22.671 -3.390 4.212 1.00 0.00 C ATOM 1695 CE1 PHE 3 56 25.036 -1.972 3.728 1.00 0.00 C ATOM 1696 CE2 PHE 3 56 23.805 -4.060 3.738 1.00 0.00 C ATOM 1697 CZ PHE 3 56 24.987 -3.351 3.496 1.00 0.00 C ATOM 0 H PHE 3 56 20.604 0.308 3.210 1.00 0.00 H new ATOM 0 HA PHE 3 56 20.313 -2.652 3.724 1.00 0.00 H new ATOM 0 HB2 PHE 3 56 21.675 -0.209 4.956 1.00 0.00 H new ATOM 0 HB3 PHE 3 56 21.300 -1.573 5.990 1.00 0.00 H new ATOM 0 HD1 PHE 3 56 23.940 -0.237 4.383 1.00 0.00 H new ATOM 0 HD2 PHE 3 56 21.759 -3.938 4.398 1.00 0.00 H new ATOM 0 HE1 PHE 3 56 25.948 -1.425 3.541 1.00 0.00 H new ATOM 0 HE2 PHE 3 56 23.768 -5.124 3.559 1.00 0.00 H new ATOM 0 HZ PHE 3 56 25.862 -3.868 3.130 1.00 0.00 H new