USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=9 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= -2.97! C(o=-12!,f=-13!) USER MOD Set 1.2: 3 52 ASN : amide:sc= -8.65! C(o=-12!,f=-13!) USER MOD Single : 3 6 SER OG : rot 180:sc= 0 USER MOD Single : 3 7 HIS : no HD1:sc= -0.0611 X(o=-0.061,f=0) USER MOD Single : 3 17 TYR OH : rot -15:sc= 0.273 USER MOD Single : 3 20 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.84) USER MOD Single : 3 21 ASN : amide:sc= -0.0447 K(o=-0.045,f=-2.1!) USER MOD Single : 3 23 TYR OH : rot 180:sc= -0.188 USER MOD Single : 3 24 TYR OH : rot -8:sc= -2.52 USER MOD Single : 3 25 CYS SG : rot -4:sc= -0.539 USER MOD Single : 3 26 TYR OH : rot -90:sc= -0.477 USER MOD Single : 3 31 THR OG1 : rot 180:sc= -0.0949 USER MOD Single : 3 33 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.317) USER MOD Single : 3 46 THR OG1 : rot -176:sc= -0.861 USER MOD Single : 3 50 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 790 N ARG 3 3 40.197 -7.724 -5.147 1.00 0.00 N ATOM 791 CA ARG 3 3 40.567 -6.722 -4.108 1.00 0.00 C ATOM 792 C ARG 3 3 39.531 -6.739 -2.978 1.00 0.00 C ATOM 793 O ARG 3 3 38.462 -6.175 -3.095 1.00 0.00 O ATOM 794 CB ARG 3 3 40.558 -5.374 -4.836 1.00 0.00 C ATOM 795 CG ARG 3 3 41.336 -5.493 -6.149 1.00 0.00 C ATOM 796 CD ARG 3 3 40.362 -5.786 -7.293 1.00 0.00 C ATOM 797 NE ARG 3 3 41.167 -5.627 -8.536 1.00 0.00 N ATOM 798 CZ ARG 3 3 42.469 -5.666 -8.479 1.00 0.00 C ATOM 799 NH1 ARG 3 3 43.155 -4.556 -8.477 1.00 0.00 N ATOM 800 NH2 ARG 3 3 43.087 -6.815 -8.419 1.00 0.00 N ATOM 0 HA ARG 3 3 41.537 -6.927 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG 3 3 39.532 -5.065 -5.036 1.00 0.00 H new ATOM 0 HB3 ARG 3 3 41.005 -4.606 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG 3 3 41.880 -4.569 -6.347 1.00 0.00 H new ATOM 0 HG3 ARG 3 3 42.077 -6.289 -6.075 1.00 0.00 H new ATOM 0 HD2 ARG 3 3 39.952 -6.793 -7.214 1.00 0.00 H new ATOM 0 HD3 ARG 3 3 39.518 -5.097 -7.279 1.00 0.00 H new ATOM 0 HE ARG 3 3 40.700 -5.488 -9.432 1.00 0.00 H new ATOM 0 HH11 ARG 3 3 42.673 -3.658 -8.520 1.00 0.00 H new ATOM 0 HH12 ARG 3 3 44.174 -4.586 -8.432 1.00 0.00 H new ATOM 0 HH21 ARG 3 3 42.551 -7.683 -8.417 1.00 0.00 H new ATOM 0 HH22 ARG 3 3 44.106 -6.845 -8.374 1.00 0.00 H new ATOM 814 N ARG 3 4 39.839 -7.390 -1.888 1.00 0.00 N ATOM 815 CA ARG 3 4 38.868 -7.452 -0.755 1.00 0.00 C ATOM 816 C ARG 3 4 38.906 -6.151 0.054 1.00 0.00 C ATOM 817 O ARG 3 4 37.924 -5.442 0.155 1.00 0.00 O ATOM 818 CB ARG 3 4 39.334 -8.630 0.104 1.00 0.00 C ATOM 819 CG ARG 3 4 38.117 -9.412 0.606 1.00 0.00 C ATOM 820 CD ARG 3 4 38.583 -10.565 1.498 1.00 0.00 C ATOM 821 NE ARG 3 4 37.792 -10.419 2.752 1.00 0.00 N ATOM 822 CZ ARG 3 4 38.243 -10.914 3.871 1.00 0.00 C ATOM 823 NH1 ARG 3 4 37.558 -11.826 4.503 1.00 0.00 N ATOM 824 NH2 ARG 3 4 39.380 -10.499 4.359 1.00 0.00 N ATOM 0 H ARG 3 4 40.719 -7.881 -1.733 1.00 0.00 H new ATOM 0 HA ARG 3 4 37.842 -7.579 -1.101 1.00 0.00 H new ATOM 0 HB2 ARG 3 4 39.984 -9.283 -0.478 1.00 0.00 H new ATOM 0 HB3 ARG 3 4 39.920 -8.268 0.949 1.00 0.00 H new ATOM 0 HG2 ARG 3 4 37.452 -8.752 1.164 1.00 0.00 H new ATOM 0 HG3 ARG 3 4 37.547 -9.799 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG 3 4 38.400 -11.530 1.025 1.00 0.00 H new ATOM 0 HD3 ARG 3 4 39.653 -10.505 1.696 1.00 0.00 H new ATOM 0 HE ARG 3 4 36.896 -9.931 2.735 1.00 0.00 H new ATOM 0 HH11 ARG 3 4 36.670 -12.152 4.122 1.00 0.00 H new ATOM 0 HH12 ARG 3 4 37.910 -12.213 5.378 1.00 0.00 H new ATOM 0 HH21 ARG 3 4 39.917 -9.786 3.865 1.00 0.00 H new ATOM 0 HH22 ARG 3 4 39.731 -10.887 5.234 1.00 0.00 H new ATOM 838 N ARG 3 5 40.031 -5.835 0.636 1.00 0.00 N ATOM 839 CA ARG 3 5 40.128 -4.582 1.440 1.00 0.00 C ATOM 840 C ARG 3 5 41.477 -3.900 1.199 1.00 0.00 C ATOM 841 O ARG 3 5 42.461 -4.539 0.882 1.00 0.00 O ATOM 842 CB ARG 3 5 40.012 -5.035 2.895 1.00 0.00 C ATOM 843 CG ARG 3 5 41.382 -5.494 3.395 1.00 0.00 C ATOM 844 CD ARG 3 5 41.200 -6.556 4.482 1.00 0.00 C ATOM 845 NE ARG 3 5 42.583 -6.951 4.866 1.00 0.00 N ATOM 846 CZ ARG 3 5 42.891 -7.105 6.126 1.00 0.00 C ATOM 847 NH1 ARG 3 5 42.578 -6.181 6.992 1.00 0.00 N ATOM 848 NH2 ARG 3 5 43.510 -8.183 6.519 1.00 0.00 N ATOM 0 H ARG 3 5 40.886 -6.389 0.590 1.00 0.00 H new ATOM 0 HA ARG 3 5 39.355 -3.861 1.173 1.00 0.00 H new ATOM 0 HB2 ARG 3 5 39.642 -4.217 3.514 1.00 0.00 H new ATOM 0 HB3 ARG 3 5 39.291 -5.848 2.978 1.00 0.00 H new ATOM 0 HG2 ARG 3 5 41.965 -5.901 2.569 1.00 0.00 H new ATOM 0 HG3 ARG 3 5 41.939 -4.645 3.791 1.00 0.00 H new ATOM 0 HD2 ARG 3 5 40.651 -6.158 5.336 1.00 0.00 H new ATOM 0 HD3 ARG 3 5 40.634 -7.410 4.109 1.00 0.00 H new ATOM 0 HE ARG 3 5 43.289 -7.101 4.146 1.00 0.00 H new ATOM 0 HH11 ARG 3 5 42.093 -5.338 6.685 1.00 0.00 H new ATOM 0 HH12 ARG 3 5 42.819 -6.302 7.976 1.00 0.00 H new ATOM 0 HH21 ARG 3 5 43.754 -8.906 5.842 1.00 0.00 H new ATOM 0 HH22 ARG 3 5 43.750 -8.303 7.503 1.00 0.00 H new ATOM 862 N SER 3 6 41.530 -2.605 1.346 1.00 0.00 N ATOM 863 CA SER 3 6 42.813 -1.879 1.129 1.00 0.00 C ATOM 864 C SER 3 6 42.998 -0.810 2.208 1.00 0.00 C ATOM 865 O SER 3 6 42.239 -0.733 3.152 1.00 0.00 O ATOM 866 CB SER 3 6 42.675 -1.235 -0.249 1.00 0.00 C ATOM 867 OG SER 3 6 42.589 -2.253 -1.237 1.00 0.00 O ATOM 0 H SER 3 6 40.739 -2.017 1.608 1.00 0.00 H new ATOM 0 HA SER 3 6 43.679 -2.539 1.183 1.00 0.00 H new ATOM 0 HB2 SER 3 6 41.786 -0.605 -0.281 1.00 0.00 H new ATOM 0 HB3 SER 3 6 43.530 -0.590 -0.449 1.00 0.00 H new ATOM 0 HG SER 3 6 42.499 -1.843 -2.122 1.00 0.00 H new ATOM 873 N HIS 3 7 44.000 0.015 2.079 1.00 0.00 N ATOM 874 CA HIS 3 7 44.228 1.075 3.102 1.00 0.00 C ATOM 875 C HIS 3 7 43.255 2.240 2.895 1.00 0.00 C ATOM 876 O HIS 3 7 42.641 2.722 3.826 1.00 0.00 O ATOM 877 CB HIS 3 7 45.669 1.535 2.878 1.00 0.00 C ATOM 878 CG HIS 3 7 45.894 2.848 3.577 1.00 0.00 C ATOM 879 ND1 HIS 3 7 46.044 2.937 4.953 1.00 0.00 N ATOM 880 CD2 HIS 3 7 45.998 4.132 3.105 1.00 0.00 C ATOM 881 CE1 HIS 3 7 46.231 4.235 5.257 1.00 0.00 C ATOM 882 NE2 HIS 3 7 46.211 5.006 4.166 1.00 0.00 N ATOM 0 H HIS 3 7 44.670 0.001 1.310 1.00 0.00 H new ATOM 0 HA HIS 3 7 44.066 0.708 4.116 1.00 0.00 H new ATOM 0 HB2 HIS 3 7 46.364 0.786 3.258 1.00 0.00 H new ATOM 0 HB3 HIS 3 7 45.866 1.641 1.811 1.00 0.00 H new ATOM 0 HD2 HIS 3 7 45.925 4.421 2.067 1.00 0.00 H new ATOM 0 HE1 HIS 3 7 46.379 4.607 6.260 1.00 0.00 H new ATOM 0 HE2 HIS 3 7 46.327 6.018 4.121 1.00 0.00 H new ATOM 890 N GLU 3 8 43.106 2.696 1.683 1.00 0.00 N ATOM 891 CA GLU 3 8 42.171 3.832 1.430 1.00 0.00 C ATOM 892 C GLU 3 8 40.728 3.368 1.591 1.00 0.00 C ATOM 893 O GLU 3 8 39.908 4.041 2.183 1.00 0.00 O ATOM 894 CB GLU 3 8 42.433 4.267 -0.014 1.00 0.00 C ATOM 895 CG GLU 3 8 43.939 4.345 -0.267 1.00 0.00 C ATOM 896 CD GLU 3 8 44.211 5.296 -1.434 1.00 0.00 C ATOM 897 OE1 GLU 3 8 44.191 6.496 -1.212 1.00 0.00 O ATOM 898 OE2 GLU 3 8 44.432 4.809 -2.530 1.00 0.00 O ATOM 0 H GLU 3 8 43.587 2.335 0.859 1.00 0.00 H new ATOM 0 HA GLU 3 8 42.328 4.652 2.131 1.00 0.00 H new ATOM 0 HB2 GLU 3 8 41.975 3.559 -0.705 1.00 0.00 H new ATOM 0 HB3 GLU 3 8 41.973 5.238 -0.200 1.00 0.00 H new ATOM 0 HG2 GLU 3 8 44.451 4.696 0.629 1.00 0.00 H new ATOM 0 HG3 GLU 3 8 44.333 3.354 -0.492 1.00 0.00 H new ATOM 905 N ARG 3 9 40.417 2.220 1.073 1.00 0.00 N ATOM 906 CA ARG 3 9 39.034 1.696 1.197 1.00 0.00 C ATOM 907 C ARG 3 9 38.732 1.356 2.663 1.00 0.00 C ATOM 908 O ARG 3 9 37.605 1.087 3.025 1.00 0.00 O ATOM 909 CB ARG 3 9 39.029 0.446 0.307 1.00 0.00 C ATOM 910 CG ARG 3 9 38.091 -0.624 0.873 1.00 0.00 C ATOM 911 CD ARG 3 9 36.648 -0.114 0.849 1.00 0.00 C ATOM 912 NE ARG 3 9 35.945 -0.912 1.892 1.00 0.00 N ATOM 913 CZ ARG 3 9 34.644 -1.019 1.867 1.00 0.00 C ATOM 914 NH1 ARG 3 9 33.901 -0.038 2.300 1.00 0.00 N ATOM 915 NH2 ARG 3 9 34.086 -2.105 1.407 1.00 0.00 N ATOM 0 H ARG 3 9 41.065 1.617 0.565 1.00 0.00 H new ATOM 0 HA ARG 3 9 38.269 2.410 0.892 1.00 0.00 H new ATOM 0 HB2 ARG 3 9 38.715 0.714 -0.702 1.00 0.00 H new ATOM 0 HB3 ARG 3 9 40.040 0.045 0.230 1.00 0.00 H new ATOM 0 HG2 ARG 3 9 38.173 -1.539 0.287 1.00 0.00 H new ATOM 0 HG3 ARG 3 9 38.382 -0.872 1.894 1.00 0.00 H new ATOM 0 HD2 ARG 3 9 36.602 0.953 1.069 1.00 0.00 H new ATOM 0 HD3 ARG 3 9 36.194 -0.257 -0.132 1.00 0.00 H new ATOM 0 HE ARG 3 9 36.480 -1.375 2.626 1.00 0.00 H new ATOM 0 HH11 ARG 3 9 34.337 0.812 2.658 1.00 0.00 H new ATOM 0 HH12 ARG 3 9 32.885 -0.121 2.281 1.00 0.00 H new ATOM 0 HH21 ARG 3 9 34.666 -2.872 1.066 1.00 0.00 H new ATOM 0 HH22 ARG 3 9 33.070 -2.187 1.388 1.00 0.00 H new ATOM 929 N ARG 3 10 39.723 1.372 3.521 1.00 0.00 N ATOM 930 CA ARG 3 10 39.457 1.053 4.949 1.00 0.00 C ATOM 931 C ARG 3 10 38.588 2.147 5.570 1.00 0.00 C ATOM 932 O ARG 3 10 37.890 1.927 6.540 1.00 0.00 O ATOM 933 CB ARG 3 10 40.831 1.011 5.612 1.00 0.00 C ATOM 934 CG ARG 3 10 41.017 -0.337 6.306 1.00 0.00 C ATOM 935 CD ARG 3 10 42.299 -0.999 5.802 1.00 0.00 C ATOM 936 NE ARG 3 10 42.993 -1.487 7.026 1.00 0.00 N ATOM 937 CZ ARG 3 10 43.994 -0.812 7.519 1.00 0.00 C ATOM 938 NH1 ARG 3 10 45.215 -1.096 7.156 1.00 0.00 N ATOM 939 NH2 ARG 3 10 43.775 0.148 8.375 1.00 0.00 N ATOM 0 H ARG 3 10 40.693 1.590 3.293 1.00 0.00 H new ATOM 0 HA ARG 3 10 38.924 0.111 5.074 1.00 0.00 H new ATOM 0 HB2 ARG 3 10 41.612 1.160 4.866 1.00 0.00 H new ATOM 0 HB3 ARG 3 10 40.923 1.821 6.336 1.00 0.00 H new ATOM 0 HG2 ARG 3 10 41.068 -0.198 7.386 1.00 0.00 H new ATOM 0 HG3 ARG 3 10 40.160 -0.981 6.107 1.00 0.00 H new ATOM 0 HD2 ARG 3 10 42.077 -1.821 5.121 1.00 0.00 H new ATOM 0 HD3 ARG 3 10 42.919 -0.290 5.254 1.00 0.00 H new ATOM 0 HE ARG 3 10 42.686 -2.348 7.478 1.00 0.00 H new ATOM 0 HH11 ARG 3 10 45.387 -1.846 6.486 1.00 0.00 H new ATOM 0 HH12 ARG 3 10 45.998 -0.568 7.542 1.00 0.00 H new ATOM 0 HH21 ARG 3 10 42.821 0.371 8.659 1.00 0.00 H new ATOM 0 HH22 ARG 3 10 44.558 0.676 8.761 1.00 0.00 H new ATOM 953 N ASP 3 11 38.624 3.326 5.013 1.00 0.00 N ATOM 954 CA ASP 3 11 37.799 4.437 5.561 1.00 0.00 C ATOM 955 C ASP 3 11 36.596 4.707 4.650 1.00 0.00 C ATOM 956 O ASP 3 11 35.675 5.407 5.019 1.00 0.00 O ATOM 957 CB ASP 3 11 38.733 5.647 5.588 1.00 0.00 C ATOM 958 CG ASP 3 11 38.684 6.300 6.972 1.00 0.00 C ATOM 959 OD1 ASP 3 11 39.444 5.882 7.829 1.00 0.00 O ATOM 960 OD2 ASP 3 11 37.888 7.206 7.149 1.00 0.00 O ATOM 0 H ASP 3 11 39.191 3.568 4.200 1.00 0.00 H new ATOM 0 HA ASP 3 11 37.401 4.206 6.549 1.00 0.00 H new ATOM 0 HB2 ASP 3 11 39.752 5.338 5.356 1.00 0.00 H new ATOM 0 HB3 ASP 3 11 38.436 6.366 4.824 1.00 0.00 H new ATOM 965 N LEU 3 12 36.593 4.160 3.462 1.00 0.00 N ATOM 966 CA LEU 3 12 35.444 4.399 2.544 1.00 0.00 C ATOM 967 C LEU 3 12 34.321 3.396 2.819 1.00 0.00 C ATOM 968 O LEU 3 12 34.568 2.274 3.213 1.00 0.00 O ATOM 969 CB LEU 3 12 35.992 4.184 1.135 1.00 0.00 C ATOM 970 CG LEU 3 12 37.068 5.225 0.828 1.00 0.00 C ATOM 971 CD1 LEU 3 12 38.024 4.673 -0.231 1.00 0.00 C ATOM 972 CD2 LEU 3 12 36.407 6.499 0.300 1.00 0.00 C ATOM 0 H LEU 3 12 37.332 3.562 3.091 1.00 0.00 H new ATOM 0 HA LEU 3 12 35.030 5.398 2.677 1.00 0.00 H new ATOM 0 HB2 LEU 3 12 36.409 3.181 1.047 1.00 0.00 H new ATOM 0 HB3 LEU 3 12 35.184 4.258 0.407 1.00 0.00 H new ATOM 0 HG LEU 3 12 37.624 5.452 1.738 1.00 0.00 H new ATOM 0 HD11 LEU 3 12 38.792 5.415 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU 3 12 38.495 3.763 0.142 1.00 0.00 H new ATOM 0 HD13 LEU 3 12 37.468 4.447 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU 3 12 37.173 7.242 0.081 1.00 0.00 H new ATOM 0 HD22 LEU 3 12 35.852 6.271 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU 3 12 35.724 6.893 1.052 1.00 0.00 H new ATOM 984 N PRO 3 13 33.119 3.839 2.583 1.00 0.00 N ATOM 985 CA PRO 3 13 31.932 2.976 2.784 1.00 0.00 C ATOM 986 C PRO 3 13 31.796 2.025 1.601 1.00 0.00 C ATOM 987 O PRO 3 13 32.535 2.126 0.642 1.00 0.00 O ATOM 988 CB PRO 3 13 30.771 3.960 2.767 1.00 0.00 C ATOM 989 CG PRO 3 13 31.261 5.107 1.945 1.00 0.00 C ATOM 990 CD PRO 3 13 32.754 5.177 2.116 1.00 0.00 C ATOM 0 HA PRO 3 13 31.982 2.379 3.695 1.00 0.00 H new ATOM 0 HB2 PRO 3 13 29.878 3.512 2.330 1.00 0.00 H new ATOM 0 HB3 PRO 3 13 30.507 4.279 3.775 1.00 0.00 H new ATOM 0 HG2 PRO 3 13 31.001 4.966 0.896 1.00 0.00 H new ATOM 0 HG3 PRO 3 13 30.794 6.038 2.267 1.00 0.00 H new ATOM 0 HD2 PRO 3 13 33.252 5.422 1.178 1.00 0.00 H new ATOM 0 HD3 PRO 3 13 33.038 5.943 2.838 1.00 0.00 H new ATOM 998 N PRO 3 14 30.832 1.156 1.682 1.00 0.00 N ATOM 999 CA PRO 3 14 30.587 0.221 0.566 1.00 0.00 C ATOM 1000 C PRO 3 14 29.991 0.992 -0.617 1.00 0.00 C ATOM 1001 O PRO 3 14 29.328 1.994 -0.440 1.00 0.00 O ATOM 1002 CB PRO 3 14 29.586 -0.776 1.144 1.00 0.00 C ATOM 1003 CG PRO 3 14 28.899 -0.035 2.247 1.00 0.00 C ATOM 1004 CD PRO 3 14 29.897 0.953 2.795 1.00 0.00 C ATOM 0 HA PRO 3 14 31.485 -0.273 0.195 1.00 0.00 H new ATOM 0 HB2 PRO 3 14 28.875 -1.106 0.387 1.00 0.00 H new ATOM 0 HB3 PRO 3 14 30.088 -1.667 1.520 1.00 0.00 H new ATOM 0 HG2 PRO 3 14 28.012 0.478 1.875 1.00 0.00 H new ATOM 0 HG3 PRO 3 14 28.567 -0.722 3.026 1.00 0.00 H new ATOM 0 HD2 PRO 3 14 29.417 1.886 3.090 1.00 0.00 H new ATOM 0 HD3 PRO 3 14 30.404 0.563 3.678 1.00 0.00 H new ATOM 1012 N ASN 3 15 30.240 0.534 -1.814 1.00 0.00 N ATOM 1013 CA ASN 3 15 29.713 1.218 -3.041 1.00 0.00 C ATOM 1014 C ASN 3 15 30.457 2.535 -3.297 1.00 0.00 C ATOM 1015 O ASN 3 15 30.030 3.351 -4.090 1.00 0.00 O ATOM 1016 CB ASN 3 15 28.223 1.479 -2.788 1.00 0.00 C ATOM 1017 CG ASN 3 15 27.597 0.272 -2.086 1.00 0.00 C ATOM 1018 OD1 ASN 3 15 28.094 -0.832 -2.188 1.00 0.00 O ATOM 1019 ND2 ASN 3 15 26.519 0.439 -1.370 1.00 0.00 N ATOM 0 H ASN 3 15 30.796 -0.300 -2.001 1.00 0.00 H new ATOM 0 HA ASN 3 15 29.860 0.597 -3.925 1.00 0.00 H new ATOM 0 HB2 ASN 3 15 28.100 2.372 -2.175 1.00 0.00 H new ATOM 0 HB3 ASN 3 15 27.712 1.667 -3.732 1.00 0.00 H new ATOM 0 HD21 ASN 3 15 26.093 -0.357 -0.896 1.00 0.00 H new ATOM 0 HD22 ASN 3 15 26.102 1.366 -1.285 1.00 0.00 H new ATOM 1026 N LEU 3 16 31.577 2.741 -2.657 1.00 0.00 N ATOM 1027 CA LEU 3 16 32.353 3.997 -2.897 1.00 0.00 C ATOM 1028 C LEU 3 16 33.848 3.711 -2.783 1.00 0.00 C ATOM 1029 O LEU 3 16 34.326 3.235 -1.772 1.00 0.00 O ATOM 1030 CB LEU 3 16 31.927 4.985 -1.815 1.00 0.00 C ATOM 1031 CG LEU 3 16 32.937 6.139 -1.768 1.00 0.00 C ATOM 1032 CD1 LEU 3 16 33.185 6.672 -3.182 1.00 0.00 C ATOM 1033 CD2 LEU 3 16 32.388 7.268 -0.898 1.00 0.00 C ATOM 0 H LEU 3 16 31.989 2.098 -1.981 1.00 0.00 H new ATOM 0 HA LEU 3 16 32.162 4.397 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU 3 16 30.928 5.367 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU 3 16 31.880 4.486 -0.847 1.00 0.00 H new ATOM 0 HG LEU 3 16 33.873 5.772 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU 3 16 33.903 7.491 -3.141 1.00 0.00 H new ATOM 0 HD12 LEU 3 16 33.582 5.873 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU 3 16 32.247 7.032 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU 3 16 33.108 8.086 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU 3 16 31.449 7.627 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU 3 16 32.215 6.898 0.113 1.00 0.00 H new ATOM 1045 N TYR 3 17 34.588 3.994 -3.813 1.00 0.00 N ATOM 1046 CA TYR 3 17 36.052 3.737 -3.771 1.00 0.00 C ATOM 1047 C TYR 3 17 36.809 4.944 -4.327 1.00 0.00 C ATOM 1048 O TYR 3 17 36.252 5.764 -5.031 1.00 0.00 O ATOM 1049 CB TYR 3 17 36.238 2.497 -4.642 1.00 0.00 C ATOM 1050 CG TYR 3 17 35.079 1.561 -4.394 1.00 0.00 C ATOM 1051 CD1 TYR 3 17 35.002 0.848 -3.192 1.00 0.00 C ATOM 1052 CD2 TYR 3 17 34.073 1.416 -5.359 1.00 0.00 C ATOM 1053 CE1 TYR 3 17 33.920 -0.007 -2.952 1.00 0.00 C ATOM 1054 CE2 TYR 3 17 32.991 0.559 -5.118 1.00 0.00 C ATOM 1055 CZ TYR 3 17 32.916 -0.154 -3.915 1.00 0.00 C ATOM 1056 OH TYR 3 17 31.848 -0.996 -3.679 1.00 0.00 O ATOM 0 H TYR 3 17 34.242 4.394 -4.686 1.00 0.00 H new ATOM 0 HA TYR 3 17 36.437 3.580 -2.763 1.00 0.00 H new ATOM 0 HB2 TYR 3 17 36.281 2.776 -5.695 1.00 0.00 H new ATOM 0 HB3 TYR 3 17 37.181 2.004 -4.404 1.00 0.00 H new ATOM 0 HD1 TYR 3 17 35.778 0.958 -2.449 1.00 0.00 H new ATOM 0 HD2 TYR 3 17 34.132 1.964 -6.288 1.00 0.00 H new ATOM 0 HE1 TYR 3 17 33.860 -0.554 -2.023 1.00 0.00 H new ATOM 0 HE2 TYR 3 17 32.214 0.448 -5.860 1.00 0.00 H new ATOM 0 HH TYR 3 17 32.056 -1.585 -2.924 1.00 0.00 H new ATOM 1066 N ILE 3 18 38.065 5.080 -4.002 1.00 0.00 N ATOM 1067 CA ILE 3 18 38.835 6.257 -4.500 1.00 0.00 C ATOM 1068 C ILE 3 18 39.783 5.854 -5.632 1.00 0.00 C ATOM 1069 O ILE 3 18 40.363 4.786 -5.629 1.00 0.00 O ATOM 1070 CB ILE 3 18 39.624 6.746 -3.285 1.00 0.00 C ATOM 1071 CG1 ILE 3 18 39.587 8.277 -3.238 1.00 0.00 C ATOM 1072 CG2 ILE 3 18 41.076 6.264 -3.374 1.00 0.00 C ATOM 1073 CD1 ILE 3 18 40.496 8.852 -4.326 1.00 0.00 C ATOM 0 H ILE 3 18 38.590 4.431 -3.416 1.00 0.00 H new ATOM 0 HA ILE 3 18 38.183 7.028 -4.909 1.00 0.00 H new ATOM 0 HB ILE 3 18 39.174 6.343 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE 3 18 38.566 8.630 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE 3 18 39.911 8.628 -2.258 1.00 0.00 H new ATOM 0 HG21 ILE 3 18 41.630 6.617 -2.504 1.00 0.00 H new ATOM 0 HG22 ILE 3 18 41.097 5.175 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE 3 18 41.535 6.657 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE 3 18 40.466 9.941 -4.288 1.00 0.00 H new ATOM 0 HD12 ILE 3 18 41.519 8.512 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE 3 18 40.152 8.514 -5.304 1.00 0.00 H new ATOM 1085 N ARG 3 19 39.949 6.721 -6.595 1.00 0.00 N ATOM 1086 CA ARG 3 19 40.859 6.433 -7.731 1.00 0.00 C ATOM 1087 C ARG 3 19 42.242 6.958 -7.398 1.00 0.00 C ATOM 1088 O ARG 3 19 42.506 7.374 -6.287 1.00 0.00 O ATOM 1089 CB ARG 3 19 40.266 7.188 -8.922 1.00 0.00 C ATOM 1090 CG ARG 3 19 39.277 6.281 -9.659 1.00 0.00 C ATOM 1091 CD ARG 3 19 37.864 6.860 -9.539 1.00 0.00 C ATOM 1092 NE ARG 3 19 36.955 5.718 -9.837 1.00 0.00 N ATOM 1093 CZ ARG 3 19 36.768 4.782 -8.947 1.00 0.00 C ATOM 1094 NH1 ARG 3 19 36.562 5.100 -7.698 1.00 0.00 N ATOM 1095 NH2 ARG 3 19 36.788 3.527 -9.306 1.00 0.00 N ATOM 0 H ARG 3 19 39.484 7.628 -6.639 1.00 0.00 H new ATOM 0 HA ARG 3 19 40.951 5.368 -7.944 1.00 0.00 H new ATOM 0 HB2 ARG 3 19 39.762 8.091 -8.579 1.00 0.00 H new ATOM 0 HB3 ARG 3 19 41.060 7.504 -9.598 1.00 0.00 H new ATOM 0 HG2 ARG 3 19 39.558 6.196 -10.709 1.00 0.00 H new ATOM 0 HG3 ARG 3 19 39.306 5.276 -9.238 1.00 0.00 H new ATOM 0 HD2 ARG 3 19 37.684 7.258 -8.540 1.00 0.00 H new ATOM 0 HD3 ARG 3 19 37.712 7.680 -10.241 1.00 0.00 H new ATOM 0 HE ARG 3 19 36.478 5.668 -10.737 1.00 0.00 H new ATOM 0 HH11 ARG 3 19 36.547 6.080 -7.417 1.00 0.00 H new ATOM 0 HH12 ARG 3 19 36.416 4.368 -7.003 1.00 0.00 H new ATOM 0 HH21 ARG 3 19 36.950 3.278 -10.282 1.00 0.00 H new ATOM 0 HH22 ARG 3 19 36.642 2.795 -8.611 1.00 0.00 H new ATOM 1109 N ASN 3 20 43.129 6.947 -8.337 1.00 0.00 N ATOM 1110 CA ASN 3 20 44.487 7.452 -8.049 1.00 0.00 C ATOM 1111 C ASN 3 20 44.503 8.982 -8.142 1.00 0.00 C ATOM 1112 O ASN 3 20 45.415 9.632 -7.669 1.00 0.00 O ATOM 1113 CB ASN 3 20 45.369 6.829 -9.130 1.00 0.00 C ATOM 1114 CG ASN 3 20 45.027 5.344 -9.281 1.00 0.00 C ATOM 1115 OD1 ASN 3 20 44.699 4.684 -8.316 1.00 0.00 O ATOM 1116 ND2 ASN 3 20 45.092 4.788 -10.463 1.00 0.00 N ATOM 0 H ASN 3 20 42.975 6.612 -9.288 1.00 0.00 H new ATOM 0 HA ASN 3 20 44.832 7.194 -7.048 1.00 0.00 H new ATOM 0 HB2 ASN 3 20 45.219 7.345 -10.078 1.00 0.00 H new ATOM 0 HB3 ASN 3 20 46.420 6.945 -8.867 1.00 0.00 H new ATOM 0 HD21 ASN 3 20 44.867 3.799 -10.575 1.00 0.00 H new ATOM 0 HD22 ASN 3 20 45.368 5.343 -11.273 1.00 0.00 H new ATOM 1123 N ASN 3 21 43.494 9.564 -8.739 1.00 0.00 N ATOM 1124 CA ASN 3 21 43.446 11.050 -8.853 1.00 0.00 C ATOM 1125 C ASN 3 21 42.873 11.683 -7.577 1.00 0.00 C ATOM 1126 O ASN 3 21 42.539 12.851 -7.556 1.00 0.00 O ATOM 1127 CB ASN 3 21 42.533 11.326 -10.049 1.00 0.00 C ATOM 1128 CG ASN 3 21 43.309 11.097 -11.348 1.00 0.00 C ATOM 1129 OD1 ASN 3 21 44.251 10.330 -11.379 1.00 0.00 O ATOM 1130 ND2 ASN 3 21 42.951 11.735 -12.429 1.00 0.00 N ATOM 0 H ASN 3 21 42.702 9.072 -9.152 1.00 0.00 H new ATOM 0 HA ASN 3 21 44.440 11.478 -8.986 1.00 0.00 H new ATOM 0 HB2 ASN 3 21 41.662 10.672 -10.013 1.00 0.00 H new ATOM 0 HB3 ASN 3 21 42.164 12.351 -10.009 1.00 0.00 H new ATOM 0 HD21 ASN 3 21 43.462 11.590 -13.300 1.00 0.00 H new ATOM 0 HD22 ASN 3 21 42.160 12.379 -12.403 1.00 0.00 H new ATOM 1137 N GLY 3 22 42.752 10.931 -6.517 1.00 0.00 N ATOM 1138 CA GLY 3 22 42.197 11.506 -5.261 1.00 0.00 C ATOM 1139 C GLY 3 22 40.709 11.819 -5.451 1.00 0.00 C ATOM 1140 O GLY 3 22 40.127 12.583 -4.707 1.00 0.00 O ATOM 0 H GLY 3 22 43.013 9.946 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY 3 22 42.329 10.803 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY 3 22 42.739 12.414 -4.995 1.00 0.00 H new ATOM 1144 N TYR 3 23 40.086 11.235 -6.443 1.00 0.00 N ATOM 1145 CA TYR 3 23 38.637 11.500 -6.674 1.00 0.00 C ATOM 1146 C TYR 3 23 37.797 10.312 -6.200 1.00 0.00 C ATOM 1147 O TYR 3 23 38.086 9.175 -6.513 1.00 0.00 O ATOM 1148 CB TYR 3 23 38.508 11.678 -8.186 1.00 0.00 C ATOM 1149 CG TYR 3 23 37.607 12.852 -8.484 1.00 0.00 C ATOM 1150 CD1 TYR 3 23 38.150 14.042 -8.981 1.00 0.00 C ATOM 1151 CD2 TYR 3 23 36.227 12.749 -8.269 1.00 0.00 C ATOM 1152 CE1 TYR 3 23 37.315 15.131 -9.259 1.00 0.00 C ATOM 1153 CE2 TYR 3 23 35.392 13.836 -8.548 1.00 0.00 C ATOM 1154 CZ TYR 3 23 35.935 15.026 -9.045 1.00 0.00 C ATOM 1155 OH TYR 3 23 35.110 16.099 -9.314 1.00 0.00 O ATOM 0 H TYR 3 23 40.519 10.587 -7.101 1.00 0.00 H new ATOM 0 HA TYR 3 23 38.284 12.374 -6.126 1.00 0.00 H new ATOM 0 HB2 TYR 3 23 39.491 11.840 -8.628 1.00 0.00 H new ATOM 0 HB3 TYR 3 23 38.102 10.772 -8.635 1.00 0.00 H new ATOM 0 HD1 TYR 3 23 39.214 14.121 -9.150 1.00 0.00 H new ATOM 0 HD2 TYR 3 23 35.807 11.830 -7.888 1.00 0.00 H new ATOM 0 HE1 TYR 3 23 37.735 16.051 -9.638 1.00 0.00 H new ATOM 0 HE2 TYR 3 23 34.328 13.757 -8.380 1.00 0.00 H new ATOM 0 HH TYR 3 23 34.182 15.857 -9.111 1.00 0.00 H new ATOM 1165 N TYR 3 24 36.752 10.561 -5.458 1.00 0.00 N ATOM 1166 CA TYR 3 24 35.898 9.440 -4.986 1.00 0.00 C ATOM 1167 C TYR 3 24 34.780 9.194 -5.995 1.00 0.00 C ATOM 1168 O TYR 3 24 34.376 10.090 -6.704 1.00 0.00 O ATOM 1169 CB TYR 3 24 35.338 9.915 -3.647 1.00 0.00 C ATOM 1170 CG TYR 3 24 36.478 10.064 -2.671 1.00 0.00 C ATOM 1171 CD1 TYR 3 24 37.285 11.208 -2.706 1.00 0.00 C ATOM 1172 CD2 TYR 3 24 36.736 9.054 -1.740 1.00 0.00 C ATOM 1173 CE1 TYR 3 24 38.351 11.339 -1.810 1.00 0.00 C ATOM 1174 CE2 TYR 3 24 37.802 9.186 -0.841 1.00 0.00 C ATOM 1175 CZ TYR 3 24 38.609 10.329 -0.876 1.00 0.00 C ATOM 1176 OH TYR 3 24 39.662 10.458 0.006 1.00 0.00 O ATOM 0 H TYR 3 24 36.455 11.490 -5.160 1.00 0.00 H new ATOM 0 HA TYR 3 24 36.443 8.502 -4.880 1.00 0.00 H new ATOM 0 HB2 TYR 3 24 34.820 10.866 -3.770 1.00 0.00 H new ATOM 0 HB3 TYR 3 24 34.607 9.200 -3.268 1.00 0.00 H new ATOM 0 HD1 TYR 3 24 37.084 11.989 -3.425 1.00 0.00 H new ATOM 0 HD2 TYR 3 24 36.113 8.172 -1.714 1.00 0.00 H new ATOM 0 HE1 TYR 3 24 38.975 12.220 -1.839 1.00 0.00 H new ATOM 0 HE2 TYR 3 24 38.001 8.406 -0.121 1.00 0.00 H new ATOM 0 HH TYR 3 24 40.198 11.241 -0.237 1.00 0.00 H new ATOM 1186 N CYS 3 25 34.282 7.992 -6.076 1.00 0.00 N ATOM 1187 CA CYS 3 25 33.193 7.705 -7.052 1.00 0.00 C ATOM 1188 C CYS 3 25 32.258 6.630 -6.497 1.00 0.00 C ATOM 1189 O CYS 3 25 32.683 5.713 -5.822 1.00 0.00 O ATOM 1190 CB CYS 3 25 33.909 7.198 -8.304 1.00 0.00 C ATOM 1191 SG CYS 3 25 34.898 8.533 -9.019 1.00 0.00 S ATOM 0 H CYS 3 25 34.581 7.197 -5.510 1.00 0.00 H new ATOM 0 HA CYS 3 25 32.581 8.583 -7.259 1.00 0.00 H new ATOM 0 HB2 CYS 3 25 34.549 6.352 -8.052 1.00 0.00 H new ATOM 0 HB3 CYS 3 25 33.181 6.841 -9.032 1.00 0.00 H new ATOM 0 HG CYS 3 25 34.700 9.628 -8.346 1.00 0.00 H new ATOM 1197 N TYR 3 26 30.986 6.732 -6.776 1.00 0.00 N ATOM 1198 CA TYR 3 26 30.031 5.707 -6.255 1.00 0.00 C ATOM 1199 C TYR 3 26 29.758 4.646 -7.324 1.00 0.00 C ATOM 1200 O TYR 3 26 29.294 4.947 -8.405 1.00 0.00 O ATOM 1201 CB TYR 3 26 28.751 6.476 -5.930 1.00 0.00 C ATOM 1202 CG TYR 3 26 27.686 5.506 -5.478 1.00 0.00 C ATOM 1203 CD1 TYR 3 26 27.665 5.056 -4.152 1.00 0.00 C ATOM 1204 CD2 TYR 3 26 26.717 5.057 -6.384 1.00 0.00 C ATOM 1205 CE1 TYR 3 26 26.677 4.157 -3.732 1.00 0.00 C ATOM 1206 CE2 TYR 3 26 25.731 4.157 -5.965 1.00 0.00 C ATOM 1207 CZ TYR 3 26 25.710 3.707 -4.639 1.00 0.00 C ATOM 1208 OH TYR 3 26 24.736 2.820 -4.226 1.00 0.00 O ATOM 0 H TYR 3 26 30.568 7.474 -7.337 1.00 0.00 H new ATOM 0 HA TYR 3 26 30.426 5.188 -5.382 1.00 0.00 H new ATOM 0 HB2 TYR 3 26 28.944 7.212 -5.149 1.00 0.00 H new ATOM 0 HB3 TYR 3 26 28.410 7.025 -6.808 1.00 0.00 H new ATOM 0 HD1 TYR 3 26 28.411 5.403 -3.453 1.00 0.00 H new ATOM 0 HD2 TYR 3 26 26.731 5.405 -7.406 1.00 0.00 H new ATOM 0 HE1 TYR 3 26 26.661 3.811 -2.709 1.00 0.00 H new ATOM 0 HE2 TYR 3 26 24.986 3.809 -6.665 1.00 0.00 H new ATOM 0 HH TYR 3 26 25.051 1.902 -4.361 1.00 0.00 H new ATOM 1218 N ARG 3 27 30.046 3.407 -7.031 1.00 0.00 N ATOM 1219 CA ARG 3 27 29.806 2.332 -8.036 1.00 0.00 C ATOM 1220 C ARG 3 27 28.378 1.792 -7.923 1.00 0.00 C ATOM 1221 O ARG 3 27 27.963 1.322 -6.883 1.00 0.00 O ATOM 1222 CB ARG 3 27 30.816 1.236 -7.707 1.00 0.00 C ATOM 1223 CG ARG 3 27 30.837 0.214 -8.843 1.00 0.00 C ATOM 1224 CD ARG 3 27 31.460 -1.092 -8.347 1.00 0.00 C ATOM 1225 NE ARG 3 27 30.304 -1.993 -8.084 1.00 0.00 N ATOM 1226 CZ ARG 3 27 29.656 -1.909 -6.954 1.00 0.00 C ATOM 1227 NH1 ARG 3 27 28.395 -1.573 -6.948 1.00 0.00 N ATOM 1228 NH2 ARG 3 27 30.269 -2.160 -5.831 1.00 0.00 N ATOM 0 H ARG 3 27 30.436 3.093 -6.142 1.00 0.00 H new ATOM 0 HA ARG 3 27 29.922 2.702 -9.055 1.00 0.00 H new ATOM 0 HB2 ARG 3 27 31.808 1.668 -7.572 1.00 0.00 H new ATOM 0 HB3 ARG 3 27 30.550 0.749 -6.769 1.00 0.00 H new ATOM 0 HG2 ARG 3 27 29.824 0.032 -9.201 1.00 0.00 H new ATOM 0 HG3 ARG 3 27 31.408 0.604 -9.686 1.00 0.00 H new ATOM 0 HD2 ARG 3 27 32.131 -1.518 -9.093 1.00 0.00 H new ATOM 0 HD3 ARG 3 27 32.049 -0.931 -7.444 1.00 0.00 H new ATOM 0 HE ARG 3 27 30.019 -2.675 -8.786 1.00 0.00 H new ATOM 0 HH11 ARG 3 27 27.916 -1.376 -7.826 1.00 0.00 H new ATOM 0 HH12 ARG 3 27 27.889 -1.507 -6.065 1.00 0.00 H new ATOM 0 HH21 ARG 3 27 31.255 -2.422 -5.836 1.00 0.00 H new ATOM 0 HH22 ARG 3 27 29.763 -2.094 -4.948 1.00 0.00 H new ATOM 1242 N ASP 3 28 27.626 1.846 -8.990 1.00 0.00 N ATOM 1243 CA ASP 3 28 26.229 1.324 -8.944 1.00 0.00 C ATOM 1244 C ASP 3 28 26.235 -0.204 -9.105 1.00 0.00 C ATOM 1245 O ASP 3 28 26.922 -0.729 -9.959 1.00 0.00 O ATOM 1246 CB ASP 3 28 25.522 1.987 -10.127 1.00 0.00 C ATOM 1247 CG ASP 3 28 25.159 3.429 -9.764 1.00 0.00 C ATOM 1248 OD1 ASP 3 28 24.051 3.835 -10.071 1.00 0.00 O ATOM 1249 OD2 ASP 3 28 25.998 4.102 -9.188 1.00 0.00 O ATOM 0 H ASP 3 28 27.918 2.228 -9.890 1.00 0.00 H new ATOM 0 HA ASP 3 28 25.732 1.543 -7.999 1.00 0.00 H new ATOM 0 HB2 ASP 3 28 26.169 1.974 -11.004 1.00 0.00 H new ATOM 0 HB3 ASP 3 28 24.622 1.429 -10.386 1.00 0.00 H new ATOM 1254 N PRO 3 29 25.468 -0.873 -8.281 1.00 0.00 N ATOM 1255 CA PRO 3 29 25.398 -2.355 -8.348 1.00 0.00 C ATOM 1256 C PRO 3 29 24.594 -2.813 -9.572 1.00 0.00 C ATOM 1257 O PRO 3 29 24.525 -3.988 -9.874 1.00 0.00 O ATOM 1258 CB PRO 3 29 24.680 -2.737 -7.056 1.00 0.00 C ATOM 1259 CG PRO 3 29 23.877 -1.532 -6.685 1.00 0.00 C ATOM 1260 CD PRO 3 29 24.606 -0.328 -7.225 1.00 0.00 C ATOM 0 HA PRO 3 29 26.379 -2.820 -8.445 1.00 0.00 H new ATOM 0 HB2 PRO 3 29 24.040 -3.607 -7.203 1.00 0.00 H new ATOM 0 HB3 PRO 3 29 25.391 -2.994 -6.271 1.00 0.00 H new ATOM 0 HG2 PRO 3 29 22.873 -1.594 -7.105 1.00 0.00 H new ATOM 0 HG3 PRO 3 29 23.766 -1.462 -5.603 1.00 0.00 H new ATOM 0 HD2 PRO 3 29 23.912 0.414 -7.621 1.00 0.00 H new ATOM 0 HD3 PRO 3 29 25.191 0.165 -6.448 1.00 0.00 H new ATOM 1268 N ARG 3 30 23.986 -1.900 -10.279 1.00 0.00 N ATOM 1269 CA ARG 3 30 23.194 -2.288 -11.474 1.00 0.00 C ATOM 1270 C ARG 3 30 24.116 -2.422 -12.683 1.00 0.00 C ATOM 1271 O ARG 3 30 23.852 -3.179 -13.597 1.00 0.00 O ATOM 1272 CB ARG 3 30 22.188 -1.153 -11.669 1.00 0.00 C ATOM 1273 CG ARG 3 30 20.966 -1.404 -10.781 1.00 0.00 C ATOM 1274 CD ARG 3 30 21.419 -1.604 -9.330 1.00 0.00 C ATOM 1275 NE ARG 3 30 20.160 -1.776 -8.551 1.00 0.00 N ATOM 1276 CZ ARG 3 30 19.031 -1.984 -9.170 1.00 0.00 C ATOM 1277 NH1 ARG 3 30 18.142 -1.031 -9.240 1.00 0.00 N ATOM 1278 NH2 ARG 3 30 18.790 -3.144 -9.720 1.00 0.00 N ATOM 0 H ARG 3 30 24.005 -0.900 -10.078 1.00 0.00 H new ATOM 0 HA ARG 3 30 22.692 -3.248 -11.353 1.00 0.00 H new ATOM 0 HB2 ARG 3 30 22.647 -0.197 -11.415 1.00 0.00 H new ATOM 0 HB3 ARG 3 30 21.886 -1.094 -12.715 1.00 0.00 H new ATOM 0 HG2 ARG 3 30 20.278 -0.561 -10.845 1.00 0.00 H new ATOM 0 HG3 ARG 3 30 20.425 -2.284 -11.129 1.00 0.00 H new ATOM 0 HD2 ARG 3 30 22.064 -2.478 -9.235 1.00 0.00 H new ATOM 0 HD3 ARG 3 30 21.989 -0.746 -8.973 1.00 0.00 H new ATOM 0 HE ARG 3 30 20.181 -1.731 -7.532 1.00 0.00 H new ATOM 0 HH11 ARG 3 30 18.331 -0.125 -8.811 1.00 0.00 H new ATOM 0 HH12 ARG 3 30 17.259 -1.192 -9.724 1.00 0.00 H new ATOM 0 HH21 ARG 3 30 19.485 -3.888 -9.666 1.00 0.00 H new ATOM 0 HH22 ARG 3 30 17.907 -3.305 -10.204 1.00 0.00 H new ATOM 1292 N THR 3 31 25.194 -1.685 -12.699 1.00 0.00 N ATOM 1293 CA THR 3 31 26.122 -1.772 -13.857 1.00 0.00 C ATOM 1294 C THR 3 31 27.583 -1.883 -13.397 1.00 0.00 C ATOM 1295 O THR 3 31 28.405 -2.477 -14.067 1.00 0.00 O ATOM 1296 CB THR 3 31 25.900 -0.481 -14.649 1.00 0.00 C ATOM 1297 OG1 THR 3 31 25.939 0.629 -13.764 1.00 0.00 O ATOM 1298 CG2 THR 3 31 24.538 -0.535 -15.343 1.00 0.00 C ATOM 0 H THR 3 31 25.469 -1.032 -11.965 1.00 0.00 H new ATOM 0 HA THR 3 31 25.927 -2.660 -14.458 1.00 0.00 H new ATOM 0 HB THR 3 31 26.684 -0.375 -15.399 1.00 0.00 H new ATOM 0 HG1 THR 3 31 25.799 1.456 -14.270 1.00 0.00 H new ATOM 0 HG21 THR 3 31 24.380 0.384 -15.907 1.00 0.00 H new ATOM 0 HG22 THR 3 31 24.509 -1.387 -16.022 1.00 0.00 H new ATOM 0 HG23 THR 3 31 23.752 -0.641 -14.595 1.00 0.00 H new ATOM 1306 N GLY 3 32 27.921 -1.328 -12.265 1.00 0.00 N ATOM 1307 CA GLY 3 32 29.330 -1.421 -11.786 1.00 0.00 C ATOM 1308 C GLY 3 32 30.138 -0.199 -12.240 1.00 0.00 C ATOM 1309 O GLY 3 32 31.308 -0.078 -11.932 1.00 0.00 O ATOM 0 H GLY 3 32 27.285 -0.816 -11.653 1.00 0.00 H new ATOM 0 HA2 GLY 3 32 29.346 -1.490 -10.698 1.00 0.00 H new ATOM 0 HA3 GLY 3 32 29.791 -2.331 -12.170 1.00 0.00 H new ATOM 1313 N LYS 3 33 29.535 0.721 -12.946 1.00 0.00 N ATOM 1314 CA LYS 3 33 30.296 1.930 -13.380 1.00 0.00 C ATOM 1315 C LYS 3 33 30.347 2.916 -12.219 1.00 0.00 C ATOM 1316 O LYS 3 33 29.853 2.625 -11.151 1.00 0.00 O ATOM 1317 CB LYS 3 33 29.562 2.523 -14.578 1.00 0.00 C ATOM 1318 CG LYS 3 33 28.951 1.423 -15.443 1.00 0.00 C ATOM 1319 CD LYS 3 33 29.932 0.265 -15.623 1.00 0.00 C ATOM 1320 CE LYS 3 33 30.043 -0.049 -17.111 1.00 0.00 C ATOM 1321 NZ LYS 3 33 28.716 -0.608 -17.490 1.00 0.00 N ATOM 0 H LYS 3 33 28.558 0.689 -13.239 1.00 0.00 H new ATOM 0 HA LYS 3 33 31.320 1.688 -13.665 1.00 0.00 H new ATOM 0 HB2 LYS 3 33 28.778 3.196 -14.232 1.00 0.00 H new ATOM 0 HB3 LYS 3 33 30.253 3.118 -15.175 1.00 0.00 H new ATOM 0 HG2 LYS 3 33 28.033 1.059 -14.981 1.00 0.00 H new ATOM 0 HG3 LYS 3 33 28.679 1.829 -16.417 1.00 0.00 H new ATOM 0 HD2 LYS 3 33 30.909 0.530 -15.218 1.00 0.00 H new ATOM 0 HD3 LYS 3 33 29.587 -0.612 -15.076 1.00 0.00 H new ATOM 0 HE2 LYS 3 33 30.272 0.848 -17.687 1.00 0.00 H new ATOM 0 HE3 LYS 3 33 30.842 -0.765 -17.304 1.00 0.00 H new ATOM 0 HZ1 LYS 3 33 28.819 -1.205 -18.335 1.00 0.00 H new ATOM 0 HZ2 LYS 3 33 28.343 -1.180 -16.705 1.00 0.00 H new ATOM 0 HZ3 LYS 3 33 28.057 0.170 -17.695 1.00 0.00 H new ATOM 1335 N GLU 3 34 30.957 4.063 -12.379 1.00 0.00 N ATOM 1336 CA GLU 3 34 31.030 4.992 -11.212 1.00 0.00 C ATOM 1337 C GLU 3 34 30.971 6.457 -11.639 1.00 0.00 C ATOM 1338 O GLU 3 34 31.594 6.867 -12.598 1.00 0.00 O ATOM 1339 CB GLU 3 34 32.384 4.701 -10.555 1.00 0.00 C ATOM 1340 CG GLU 3 34 32.576 3.191 -10.394 1.00 0.00 C ATOM 1341 CD GLU 3 34 33.880 2.917 -9.643 1.00 0.00 C ATOM 1342 OE1 GLU 3 34 34.567 1.978 -10.011 1.00 0.00 O ATOM 1343 OE2 GLU 3 34 34.169 3.650 -8.711 1.00 0.00 O ATOM 0 H GLU 3 34 31.396 4.390 -13.240 1.00 0.00 H new ATOM 0 HA GLU 3 34 30.185 4.836 -10.541 1.00 0.00 H new ATOM 0 HB2 GLU 3 34 33.189 5.115 -11.163 1.00 0.00 H new ATOM 0 HB3 GLU 3 34 32.437 5.188 -9.581 1.00 0.00 H new ATOM 0 HG2 GLU 3 34 31.734 2.763 -9.850 1.00 0.00 H new ATOM 0 HG3 GLU 3 34 32.600 2.711 -11.372 1.00 0.00 H new ATOM 1350 N PHE 3 35 30.238 7.250 -10.906 1.00 0.00 N ATOM 1351 CA PHE 3 35 30.145 8.698 -11.230 1.00 0.00 C ATOM 1352 C PHE 3 35 30.985 9.500 -10.230 1.00 0.00 C ATOM 1353 O PHE 3 35 31.023 9.188 -9.050 1.00 0.00 O ATOM 1354 CB PHE 3 35 28.663 9.044 -11.093 1.00 0.00 C ATOM 1355 CG PHE 3 35 27.971 8.757 -12.400 1.00 0.00 C ATOM 1356 CD1 PHE 3 35 28.071 7.485 -12.974 1.00 0.00 C ATOM 1357 CD2 PHE 3 35 27.239 9.760 -13.043 1.00 0.00 C ATOM 1358 CE1 PHE 3 35 27.436 7.215 -14.189 1.00 0.00 C ATOM 1359 CE2 PHE 3 35 26.602 9.490 -14.260 1.00 0.00 C ATOM 1360 CZ PHE 3 35 26.702 8.218 -14.835 1.00 0.00 C ATOM 0 H PHE 3 35 29.698 6.954 -10.093 1.00 0.00 H new ATOM 0 HA PHE 3 35 30.518 8.931 -12.227 1.00 0.00 H new ATOM 0 HB2 PHE 3 35 28.212 8.459 -10.292 1.00 0.00 H new ATOM 0 HB3 PHE 3 35 28.544 10.094 -10.827 1.00 0.00 H new ATOM 0 HD1 PHE 3 35 28.639 6.712 -12.478 1.00 0.00 H new ATOM 0 HD2 PHE 3 35 27.165 10.743 -12.601 1.00 0.00 H new ATOM 0 HE1 PHE 3 35 27.511 6.232 -14.630 1.00 0.00 H new ATOM 0 HE2 PHE 3 35 26.033 10.263 -14.755 1.00 0.00 H new ATOM 0 HZ PHE 3 35 26.214 8.010 -15.776 1.00 0.00 H new ATOM 1370 N GLY 3 36 31.665 10.519 -10.685 1.00 0.00 N ATOM 1371 CA GLY 3 36 32.505 11.330 -9.758 1.00 0.00 C ATOM 1372 C GLY 3 36 31.688 11.731 -8.526 1.00 0.00 C ATOM 1373 O GLY 3 36 30.753 12.501 -8.611 1.00 0.00 O ATOM 0 H GLY 3 36 31.675 10.824 -11.658 1.00 0.00 H new ATOM 0 HA2 GLY 3 36 33.381 10.758 -9.453 1.00 0.00 H new ATOM 0 HA3 GLY 3 36 32.869 12.221 -10.269 1.00 0.00 H new ATOM 1377 N LEU 3 37 32.046 11.220 -7.378 1.00 0.00 N ATOM 1378 CA LEU 3 37 31.308 11.573 -6.129 1.00 0.00 C ATOM 1379 C LEU 3 37 31.976 12.767 -5.440 1.00 0.00 C ATOM 1380 O LEU 3 37 31.971 12.879 -4.230 1.00 0.00 O ATOM 1381 CB LEU 3 37 31.400 10.326 -5.247 1.00 0.00 C ATOM 1382 CG LEU 3 37 30.082 10.138 -4.494 1.00 0.00 C ATOM 1383 CD1 LEU 3 37 28.978 9.765 -5.485 1.00 0.00 C ATOM 1384 CD2 LEU 3 37 30.237 9.022 -3.458 1.00 0.00 C ATOM 0 H LEU 3 37 32.822 10.570 -7.251 1.00 0.00 H new ATOM 0 HA LEU 3 37 30.274 11.857 -6.327 1.00 0.00 H new ATOM 0 HB2 LEU 3 37 31.610 9.449 -5.859 1.00 0.00 H new ATOM 0 HB3 LEU 3 37 32.224 10.427 -4.541 1.00 0.00 H new ATOM 0 HG LEU 3 37 29.818 11.067 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU 3 37 28.038 9.631 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU 3 37 28.866 10.561 -6.221 1.00 0.00 H new ATOM 0 HD13 LEU 3 37 29.242 8.837 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU 3 37 29.297 8.890 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU 3 37 30.502 8.092 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU 3 37 31.023 9.288 -2.751 1.00 0.00 H new ATOM 1396 N GLY 3 38 32.549 13.660 -6.200 1.00 0.00 N ATOM 1397 CA GLY 3 38 33.213 14.845 -5.591 1.00 0.00 C ATOM 1398 C GLY 3 38 34.640 14.483 -5.177 1.00 0.00 C ATOM 1399 O GLY 3 38 34.982 13.326 -5.011 1.00 0.00 O ATOM 0 H GLY 3 38 32.585 13.619 -7.219 1.00 0.00 H new ATOM 0 HA2 GLY 3 38 33.229 15.670 -6.303 1.00 0.00 H new ATOM 0 HA3 GLY 3 38 32.648 15.184 -4.723 1.00 0.00 H new ATOM 1403 N ARG 3 39 35.478 15.469 -5.013 1.00 0.00 N ATOM 1404 CA ARG 3 39 36.884 15.193 -4.612 1.00 0.00 C ATOM 1405 C ARG 3 39 37.009 15.155 -3.085 1.00 0.00 C ATOM 1406 O ARG 3 39 38.059 14.860 -2.550 1.00 0.00 O ATOM 1407 CB ARG 3 39 37.704 16.358 -5.172 1.00 0.00 C ATOM 1408 CG ARG 3 39 37.190 16.740 -6.560 1.00 0.00 C ATOM 1409 CD ARG 3 39 36.427 18.064 -6.475 1.00 0.00 C ATOM 1410 NE ARG 3 39 35.095 17.783 -7.078 1.00 0.00 N ATOM 1411 CZ ARG 3 39 34.448 18.732 -7.699 1.00 0.00 C ATOM 1412 NH1 ARG 3 39 33.639 19.513 -7.035 1.00 0.00 N ATOM 1413 NH2 ARG 3 39 34.609 18.899 -8.983 1.00 0.00 N ATOM 0 H ARG 3 39 35.249 16.455 -5.140 1.00 0.00 H new ATOM 0 HA ARG 3 39 37.227 14.229 -4.989 1.00 0.00 H new ATOM 0 HB2 ARG 3 39 37.638 17.215 -4.502 1.00 0.00 H new ATOM 0 HB3 ARG 3 39 38.756 16.079 -5.229 1.00 0.00 H new ATOM 0 HG2 ARG 3 39 38.024 16.833 -7.256 1.00 0.00 H new ATOM 0 HG3 ARG 3 39 36.538 15.957 -6.946 1.00 0.00 H new ATOM 0 HD2 ARG 3 39 36.330 18.397 -5.442 1.00 0.00 H new ATOM 0 HD3 ARG 3 39 36.947 18.854 -7.017 1.00 0.00 H new ATOM 0 HE ARG 3 39 34.688 16.850 -7.006 1.00 0.00 H new ATOM 0 HH11 ARG 3 39 33.513 19.382 -6.031 1.00 0.00 H new ATOM 0 HH12 ARG 3 39 33.134 20.254 -7.520 1.00 0.00 H new ATOM 0 HH21 ARG 3 39 35.240 18.288 -9.502 1.00 0.00 H new ATOM 0 HH22 ARG 3 39 34.104 19.640 -9.468 1.00 0.00 H new ATOM 1427 N ASP 3 40 35.952 15.454 -2.377 1.00 0.00 N ATOM 1428 CA ASP 3 40 36.031 15.434 -0.890 1.00 0.00 C ATOM 1429 C ASP 3 40 35.898 13.996 -0.380 1.00 0.00 C ATOM 1430 O ASP 3 40 35.079 13.226 -0.842 1.00 0.00 O ATOM 1431 CB ASP 3 40 34.869 16.307 -0.421 1.00 0.00 C ATOM 1432 CG ASP 3 40 35.250 17.782 -0.558 1.00 0.00 C ATOM 1433 OD1 ASP 3 40 36.395 18.050 -0.885 1.00 0.00 O ATOM 1434 OD2 ASP 3 40 34.390 18.620 -0.337 1.00 0.00 O ATOM 0 H ASP 3 40 35.043 15.710 -2.763 1.00 0.00 H new ATOM 0 HA ASP 3 40 36.982 15.808 -0.511 1.00 0.00 H new ATOM 0 HB2 ASP 3 40 33.979 16.094 -1.013 1.00 0.00 H new ATOM 0 HB3 ASP 3 40 34.624 16.079 0.616 1.00 0.00 H new ATOM 1439 N ARG 3 41 36.726 13.636 0.557 1.00 0.00 N ATOM 1440 CA ARG 3 41 36.707 12.250 1.113 1.00 0.00 C ATOM 1441 C ARG 3 41 35.562 12.076 2.108 1.00 0.00 C ATOM 1442 O ARG 3 41 34.763 11.168 1.999 1.00 0.00 O ATOM 1443 CB ARG 3 41 38.055 12.096 1.818 1.00 0.00 C ATOM 1444 CG ARG 3 41 38.121 10.732 2.511 1.00 0.00 C ATOM 1445 CD ARG 3 41 38.599 10.917 3.953 1.00 0.00 C ATOM 1446 NE ARG 3 41 39.658 9.888 4.143 1.00 0.00 N ATOM 1447 CZ ARG 3 41 40.916 10.223 4.066 1.00 0.00 C ATOM 1448 NH1 ARG 3 41 41.564 10.069 2.944 1.00 0.00 N ATOM 1449 NH2 ARG 3 41 41.527 10.714 5.109 1.00 0.00 N ATOM 0 H ARG 3 41 37.427 14.251 0.970 1.00 0.00 H new ATOM 0 HA ARG 3 41 36.555 11.501 0.336 1.00 0.00 H new ATOM 0 HB2 ARG 3 41 38.867 12.188 1.096 1.00 0.00 H new ATOM 0 HB3 ARG 3 41 38.187 12.893 2.549 1.00 0.00 H new ATOM 0 HG2 ARG 3 41 37.139 10.258 2.500 1.00 0.00 H new ATOM 0 HG3 ARG 3 41 38.800 10.071 1.973 1.00 0.00 H new ATOM 0 HD2 ARG 3 41 38.991 11.921 4.113 1.00 0.00 H new ATOM 0 HD3 ARG 3 41 37.782 10.778 4.661 1.00 0.00 H new ATOM 0 HE ARG 3 41 39.399 8.920 4.334 1.00 0.00 H new ATOM 0 HH11 ARG 3 41 41.087 9.687 2.128 1.00 0.00 H new ATOM 0 HH12 ARG 3 41 42.548 10.331 2.883 1.00 0.00 H new ATOM 0 HH21 ARG 3 41 41.021 10.836 5.986 1.00 0.00 H new ATOM 0 HH22 ARG 3 41 42.511 10.976 5.047 1.00 0.00 H new ATOM 1463 N ARG 3 42 35.478 12.936 3.083 1.00 0.00 N ATOM 1464 CA ARG 3 42 34.385 12.810 4.086 1.00 0.00 C ATOM 1465 C ARG 3 42 33.040 12.981 3.387 1.00 0.00 C ATOM 1466 O ARG 3 42 32.037 12.426 3.790 1.00 0.00 O ATOM 1467 CB ARG 3 42 34.630 13.947 5.080 1.00 0.00 C ATOM 1468 CG ARG 3 42 33.336 14.259 5.832 1.00 0.00 C ATOM 1469 CD ARG 3 42 32.826 12.991 6.518 1.00 0.00 C ATOM 1470 NE ARG 3 42 32.497 13.413 7.907 1.00 0.00 N ATOM 1471 CZ ARG 3 42 32.167 12.520 8.798 1.00 0.00 C ATOM 1472 NH1 ARG 3 42 30.908 12.308 9.074 1.00 0.00 N ATOM 1473 NH2 ARG 3 42 33.094 11.840 9.415 1.00 0.00 N ATOM 0 H ARG 3 42 36.116 13.718 3.229 1.00 0.00 H new ATOM 0 HA ARG 3 42 34.372 11.840 4.584 1.00 0.00 H new ATOM 0 HB2 ARG 3 42 35.413 13.665 5.784 1.00 0.00 H new ATOM 0 HB3 ARG 3 42 34.979 14.835 4.553 1.00 0.00 H new ATOM 0 HG2 ARG 3 42 33.512 15.040 6.572 1.00 0.00 H new ATOM 0 HG3 ARG 3 42 32.584 14.639 5.141 1.00 0.00 H new ATOM 0 HD2 ARG 3 42 31.949 12.591 6.008 1.00 0.00 H new ATOM 0 HD3 ARG 3 42 33.583 12.207 6.512 1.00 0.00 H new ATOM 0 HE ARG 3 42 32.530 14.400 8.162 1.00 0.00 H new ATOM 0 HH11 ARG 3 42 30.184 12.841 8.593 1.00 0.00 H new ATOM 0 HH12 ARG 3 42 30.649 11.610 9.771 1.00 0.00 H new ATOM 0 HH21 ARG 3 42 34.077 12.007 9.200 1.00 0.00 H new ATOM 0 HH22 ARG 3 42 32.836 11.142 10.112 1.00 0.00 H new ATOM 1487 N ILE 3 43 33.025 13.742 2.336 1.00 0.00 N ATOM 1488 CA ILE 3 43 31.765 13.967 1.578 1.00 0.00 C ATOM 1489 C ILE 3 43 31.374 12.711 0.793 1.00 0.00 C ATOM 1490 O ILE 3 43 30.338 12.122 1.025 1.00 0.00 O ATOM 1491 CB ILE 3 43 32.114 15.104 0.627 1.00 0.00 C ATOM 1492 CG1 ILE 3 43 32.231 16.417 1.411 1.00 0.00 C ATOM 1493 CG2 ILE 3 43 31.023 15.238 -0.438 1.00 0.00 C ATOM 1494 CD1 ILE 3 43 30.977 16.628 2.262 1.00 0.00 C ATOM 0 H ILE 3 43 33.842 14.225 1.963 1.00 0.00 H new ATOM 0 HA ILE 3 43 30.919 14.198 2.225 1.00 0.00 H new ATOM 0 HB ILE 3 43 33.066 14.887 0.143 1.00 0.00 H new ATOM 0 HG12 ILE 3 43 33.114 16.392 2.049 1.00 0.00 H new ATOM 0 HG13 ILE 3 43 32.359 17.252 0.722 1.00 0.00 H new ATOM 0 HG21 ILE 3 43 31.275 16.052 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE 3 43 30.947 14.307 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE 3 43 30.068 15.450 0.044 1.00 0.00 H new ATOM 0 HD11 ILE 3 43 31.066 17.562 2.816 1.00 0.00 H new ATOM 0 HD12 ILE 3 43 30.101 16.673 1.615 1.00 0.00 H new ATOM 0 HD13 ILE 3 43 30.869 15.800 2.962 1.00 0.00 H new ATOM 1506 N ALA 3 44 32.194 12.301 -0.136 1.00 0.00 N ATOM 1507 CA ALA 3 44 31.861 11.087 -0.936 1.00 0.00 C ATOM 1508 C ALA 3 44 31.566 9.915 0.001 1.00 0.00 C ATOM 1509 O ALA 3 44 30.629 9.167 -0.197 1.00 0.00 O ATOM 1510 CB ALA 3 44 33.112 10.807 -1.767 1.00 0.00 C ATOM 0 H ALA 3 44 33.077 12.752 -0.375 1.00 0.00 H new ATOM 0 HA ALA 3 44 30.981 11.228 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA 3 44 32.948 9.925 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA 3 44 33.324 11.664 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA 3 44 33.958 10.632 -1.103 1.00 0.00 H new ATOM 1516 N ILE 3 45 32.358 9.754 1.025 1.00 0.00 N ATOM 1517 CA ILE 3 45 32.123 8.636 1.982 1.00 0.00 C ATOM 1518 C ILE 3 45 30.762 8.813 2.663 1.00 0.00 C ATOM 1519 O ILE 3 45 29.916 7.943 2.622 1.00 0.00 O ATOM 1520 CB ILE 3 45 33.256 8.748 3.002 1.00 0.00 C ATOM 1521 CG1 ILE 3 45 34.554 8.208 2.392 1.00 0.00 C ATOM 1522 CG2 ILE 3 45 32.899 7.936 4.245 1.00 0.00 C ATOM 1523 CD1 ILE 3 45 35.701 8.388 3.389 1.00 0.00 C ATOM 0 H ILE 3 45 33.158 10.349 1.241 1.00 0.00 H new ATOM 0 HA ILE 3 45 32.112 7.661 1.494 1.00 0.00 H new ATOM 0 HB ILE 3 45 33.396 9.794 3.276 1.00 0.00 H new ATOM 0 HG12 ILE 3 45 34.439 7.154 2.141 1.00 0.00 H new ATOM 0 HG13 ILE 3 45 34.779 8.734 1.464 1.00 0.00 H new ATOM 0 HG21 ILE 3 45 33.705 8.014 4.974 1.00 0.00 H new ATOM 0 HG22 ILE 3 45 31.977 8.323 4.680 1.00 0.00 H new ATOM 0 HG23 ILE 3 45 32.759 6.891 3.969 1.00 0.00 H new ATOM 0 HD11 ILE 3 45 36.624 8.004 2.955 1.00 0.00 H new ATOM 0 HD12 ILE 3 45 35.821 9.447 3.618 1.00 0.00 H new ATOM 0 HD13 ILE 3 45 35.476 7.842 4.305 1.00 0.00 H new ATOM 1535 N THR 3 46 30.541 9.938 3.280 1.00 0.00 N ATOM 1536 CA THR 3 46 29.233 10.173 3.957 1.00 0.00 C ATOM 1537 C THR 3 46 28.087 9.961 2.965 1.00 0.00 C ATOM 1538 O THR 3 46 27.065 9.387 3.290 1.00 0.00 O ATOM 1539 CB THR 3 46 29.292 11.634 4.416 1.00 0.00 C ATOM 1540 OG1 THR 3 46 29.898 11.702 5.698 1.00 0.00 O ATOM 1541 CG2 THR 3 46 27.881 12.221 4.485 1.00 0.00 C ATOM 0 H THR 3 46 31.208 10.707 3.346 1.00 0.00 H new ATOM 0 HA THR 3 46 29.060 9.491 4.790 1.00 0.00 H new ATOM 0 HB THR 3 46 29.881 12.209 3.701 1.00 0.00 H new ATOM 0 HG1 THR 3 46 29.880 12.628 6.020 1.00 0.00 H new ATOM 0 HG21 THR 3 46 27.935 13.259 4.812 1.00 0.00 H new ATOM 0 HG22 THR 3 46 27.419 12.175 3.499 1.00 0.00 H new ATOM 0 HG23 THR 3 46 27.283 11.648 5.193 1.00 0.00 H new ATOM 1549 N GLU 3 47 28.253 10.423 1.757 1.00 0.00 N ATOM 1550 CA GLU 3 47 27.180 10.256 0.733 1.00 0.00 C ATOM 1551 C GLU 3 47 26.902 8.771 0.479 1.00 0.00 C ATOM 1552 O GLU 3 47 25.776 8.318 0.555 1.00 0.00 O ATOM 1553 CB GLU 3 47 27.732 10.921 -0.528 1.00 0.00 C ATOM 1554 CG GLU 3 47 26.969 12.219 -0.798 1.00 0.00 C ATOM 1555 CD GLU 3 47 26.070 12.040 -2.024 1.00 0.00 C ATOM 1556 OE1 GLU 3 47 26.593 11.709 -3.074 1.00 0.00 O ATOM 1557 OE2 GLU 3 47 24.873 12.239 -1.891 1.00 0.00 O ATOM 0 H GLU 3 47 29.088 10.911 1.432 1.00 0.00 H new ATOM 0 HA GLU 3 47 26.237 10.699 1.053 1.00 0.00 H new ATOM 0 HB2 GLU 3 47 28.795 11.130 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU 3 47 27.636 10.247 -1.379 1.00 0.00 H new ATOM 0 HG2 GLU 3 47 26.368 12.487 0.071 1.00 0.00 H new ATOM 0 HG3 GLU 3 47 27.670 13.037 -0.965 1.00 0.00 H new ATOM 1564 N ALA 3 48 27.917 8.012 0.172 1.00 0.00 N ATOM 1565 CA ALA 3 48 27.707 6.559 -0.097 1.00 0.00 C ATOM 1566 C ALA 3 48 27.115 5.872 1.134 1.00 0.00 C ATOM 1567 O ALA 3 48 26.371 4.918 1.025 1.00 0.00 O ATOM 1568 CB ALA 3 48 29.096 6.007 -0.403 1.00 0.00 C ATOM 0 H ALA 3 48 28.882 8.333 0.095 1.00 0.00 H new ATOM 0 HA ALA 3 48 27.012 6.389 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA 3 48 29.025 4.940 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA 3 48 29.508 6.520 -1.272 1.00 0.00 H new ATOM 0 HB3 ALA 3 48 29.748 6.166 0.456 1.00 0.00 H new ATOM 1574 N ILE 3 49 27.434 6.348 2.305 1.00 0.00 N ATOM 1575 CA ILE 3 49 26.884 5.718 3.536 1.00 0.00 C ATOM 1576 C ILE 3 49 25.358 5.823 3.535 1.00 0.00 C ATOM 1577 O ILE 3 49 24.659 4.863 3.792 1.00 0.00 O ATOM 1578 CB ILE 3 49 27.476 6.522 4.691 1.00 0.00 C ATOM 1579 CG1 ILE 3 49 28.675 5.770 5.273 1.00 0.00 C ATOM 1580 CG2 ILE 3 49 26.416 6.708 5.778 1.00 0.00 C ATOM 1581 CD1 ILE 3 49 29.948 6.596 5.070 1.00 0.00 C ATOM 0 H ILE 3 49 28.051 7.145 2.462 1.00 0.00 H new ATOM 0 HA ILE 3 49 27.134 4.660 3.610 1.00 0.00 H new ATOM 0 HB ILE 3 49 27.799 7.497 4.327 1.00 0.00 H new ATOM 0 HG12 ILE 3 49 28.518 5.581 6.335 1.00 0.00 H new ATOM 0 HG13 ILE 3 49 28.778 4.799 4.788 1.00 0.00 H new ATOM 0 HG21 ILE 3 49 26.838 7.282 6.603 1.00 0.00 H new ATOM 0 HG22 ILE 3 49 25.561 7.242 5.364 1.00 0.00 H new ATOM 0 HG23 ILE 3 49 26.093 5.733 6.142 1.00 0.00 H new ATOM 0 HD11 ILE 3 49 30.801 6.059 5.485 1.00 0.00 H new ATOM 0 HD12 ILE 3 49 30.108 6.762 4.005 1.00 0.00 H new ATOM 0 HD13 ILE 3 49 29.843 7.556 5.575 1.00 0.00 H new ATOM 1593 N GLN 3 50 24.836 6.984 3.244 1.00 0.00 N ATOM 1594 CA GLN 3 50 23.356 7.142 3.227 1.00 0.00 C ATOM 1595 C GLN 3 50 22.747 6.210 2.182 1.00 0.00 C ATOM 1596 O GLN 3 50 21.746 5.556 2.417 1.00 0.00 O ATOM 1597 CB GLN 3 50 23.113 8.606 2.856 1.00 0.00 C ATOM 1598 CG GLN 3 50 23.763 9.511 3.905 1.00 0.00 C ATOM 1599 CD GLN 3 50 22.785 9.736 5.060 1.00 0.00 C ATOM 1600 OE1 GLN 3 50 21.604 9.927 4.845 1.00 0.00 O ATOM 1601 NE2 GLN 3 50 23.229 9.720 6.288 1.00 0.00 N ATOM 0 H GLN 3 50 25.368 7.825 3.019 1.00 0.00 H new ATOM 0 HA GLN 3 50 22.899 6.890 4.184 1.00 0.00 H new ATOM 0 HB2 GLN 3 50 23.528 8.817 1.870 1.00 0.00 H new ATOM 0 HB3 GLN 3 50 22.043 8.806 2.800 1.00 0.00 H new ATOM 0 HG2 GLN 3 50 24.681 9.055 4.275 1.00 0.00 H new ATOM 0 HG3 GLN 3 50 24.039 10.465 3.457 1.00 0.00 H new ATOM 0 HE21 GLN 3 50 24.220 9.560 6.470 1.00 0.00 H new ATOM 0 HE22 GLN 3 50 22.585 9.868 7.065 1.00 0.00 H new ATOM 1610 N ALA 3 51 23.356 6.130 1.038 1.00 0.00 N ATOM 1611 CA ALA 3 51 22.828 5.228 -0.020 1.00 0.00 C ATOM 1612 C ALA 3 51 22.810 3.794 0.511 1.00 0.00 C ATOM 1613 O ALA 3 51 21.885 3.041 0.276 1.00 0.00 O ATOM 1614 CB ALA 3 51 23.809 5.363 -1.185 1.00 0.00 C ATOM 0 H ALA 3 51 24.197 6.650 0.787 1.00 0.00 H new ATOM 0 HA ALA 3 51 21.812 5.479 -0.326 1.00 0.00 H new ATOM 0 HB1 ALA 3 51 23.487 4.725 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA 3 51 23.837 6.400 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA 3 51 24.804 5.060 -0.860 1.00 0.00 H new ATOM 1620 N ASN 3 52 23.826 3.420 1.239 1.00 0.00 N ATOM 1621 CA ASN 3 52 23.874 2.044 1.807 1.00 0.00 C ATOM 1622 C ASN 3 52 22.685 1.832 2.743 1.00 0.00 C ATOM 1623 O ASN 3 52 22.168 0.740 2.866 1.00 0.00 O ATOM 1624 CB ASN 3 52 25.187 1.984 2.587 1.00 0.00 C ATOM 1625 CG ASN 3 52 26.349 2.296 1.644 1.00 0.00 C ATOM 1626 OD1 ASN 3 52 26.224 2.165 0.443 1.00 0.00 O ATOM 1627 ND2 ASN 3 52 27.483 2.708 2.140 1.00 0.00 N ATOM 0 H ASN 3 52 24.627 4.010 1.465 1.00 0.00 H new ATOM 0 HA ASN 3 52 23.824 1.272 1.039 1.00 0.00 H new ATOM 0 HB2 ASN 3 52 25.168 2.700 3.409 1.00 0.00 H new ATOM 0 HB3 ASN 3 52 25.317 0.996 3.028 1.00 0.00 H new ATOM 0 HD21 ASN 3 52 28.264 2.920 1.519 1.00 0.00 H new ATOM 0 HD22 ASN 3 52 27.589 2.818 3.149 1.00 0.00 H new ATOM 1634 N ILE 3 53 22.236 2.871 3.394 1.00 0.00 N ATOM 1635 CA ILE 3 53 21.070 2.716 4.305 1.00 0.00 C ATOM 1636 C ILE 3 53 19.863 2.306 3.471 1.00 0.00 C ATOM 1637 O ILE 3 53 19.153 1.373 3.791 1.00 0.00 O ATOM 1638 CB ILE 3 53 20.850 4.095 4.928 1.00 0.00 C ATOM 1639 CG1 ILE 3 53 22.158 4.595 5.546 1.00 0.00 C ATOM 1640 CG2 ILE 3 53 19.780 3.999 6.017 1.00 0.00 C ATOM 1641 CD1 ILE 3 53 22.951 3.411 6.099 1.00 0.00 C ATOM 0 H ILE 3 53 22.624 3.813 3.334 1.00 0.00 H new ATOM 0 HA ILE 3 53 21.226 1.961 5.076 1.00 0.00 H new ATOM 0 HB ILE 3 53 20.524 4.791 4.155 1.00 0.00 H new ATOM 0 HG12 ILE 3 53 22.748 5.122 4.796 1.00 0.00 H new ATOM 0 HG13 ILE 3 53 21.946 5.308 6.343 1.00 0.00 H new ATOM 0 HG21 ILE 3 53 19.623 4.982 6.461 1.00 0.00 H new ATOM 0 HG22 ILE 3 53 18.846 3.645 5.580 1.00 0.00 H new ATOM 0 HG23 ILE 3 53 20.107 3.301 6.788 1.00 0.00 H new ATOM 0 HD11 ILE 3 53 23.882 3.770 6.538 1.00 0.00 H new ATOM 0 HD12 ILE 3 53 22.362 2.903 6.862 1.00 0.00 H new ATOM 0 HD13 ILE 3 53 23.176 2.715 5.291 1.00 0.00 H new ATOM 1653 N GLU 3 54 19.645 2.983 2.380 1.00 0.00 N ATOM 1654 CA GLU 3 54 18.506 2.619 1.497 1.00 0.00 C ATOM 1655 C GLU 3 54 18.756 1.225 0.911 1.00 0.00 C ATOM 1656 O GLU 3 54 17.871 0.395 0.846 1.00 0.00 O ATOM 1657 CB GLU 3 54 18.498 3.676 0.393 1.00 0.00 C ATOM 1658 CG GLU 3 54 18.343 5.066 1.016 1.00 0.00 C ATOM 1659 CD GLU 3 54 16.857 5.405 1.144 1.00 0.00 C ATOM 1660 OE1 GLU 3 54 16.070 4.815 0.422 1.00 0.00 O ATOM 1661 OE2 GLU 3 54 16.531 6.249 1.963 1.00 0.00 O ATOM 0 H GLU 3 54 20.207 3.773 2.062 1.00 0.00 H new ATOM 0 HA GLU 3 54 17.552 2.591 2.024 1.00 0.00 H new ATOM 0 HB2 GLU 3 54 19.423 3.624 -0.181 1.00 0.00 H new ATOM 0 HB3 GLU 3 54 17.681 3.484 -0.302 1.00 0.00 H new ATOM 0 HG2 GLU 3 54 18.819 5.092 1.996 1.00 0.00 H new ATOM 0 HG3 GLU 3 54 18.845 5.811 0.399 1.00 0.00 H new ATOM 1668 N LEU 3 55 19.966 0.968 0.489 1.00 0.00 N ATOM 1669 CA LEU 3 55 20.298 -0.366 -0.090 1.00 0.00 C ATOM 1670 C LEU 3 55 20.025 -1.477 0.929 1.00 0.00 C ATOM 1671 O LEU 3 55 19.532 -2.535 0.592 1.00 0.00 O ATOM 1672 CB LEU 3 55 21.791 -0.294 -0.421 1.00 0.00 C ATOM 1673 CG LEU 3 55 21.978 0.350 -1.798 1.00 0.00 C ATOM 1674 CD1 LEU 3 55 23.431 0.799 -1.962 1.00 0.00 C ATOM 1675 CD2 LEU 3 55 21.636 -0.667 -2.889 1.00 0.00 C ATOM 0 H LEU 3 55 20.742 1.629 0.521 1.00 0.00 H new ATOM 0 HA LEU 3 55 19.695 -0.593 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU 3 55 22.315 0.287 0.338 1.00 0.00 H new ATOM 0 HB3 LEU 3 55 22.225 -1.294 -0.413 1.00 0.00 H new ATOM 0 HG LEU 3 55 21.319 1.214 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU 3 55 23.562 1.257 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU 3 55 23.677 1.525 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU 3 55 24.091 -0.064 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU 3 55 21.769 -0.208 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU 3 55 22.295 -1.531 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU 3 55 20.600 -0.987 -2.776 1.00 0.00 H new ATOM 1687 N PHE 3 56 20.349 -1.247 2.171 1.00 0.00 N ATOM 1688 CA PHE 3 56 20.116 -2.291 3.212 1.00 0.00 C ATOM 1689 C PHE 3 56 18.857 -1.977 4.034 1.00 0.00 C ATOM 1690 O PHE 3 56 18.580 -2.630 5.020 1.00 0.00 O ATOM 1691 CB PHE 3 56 21.358 -2.244 4.103 1.00 0.00 C ATOM 1692 CG PHE 3 56 22.575 -2.612 3.290 1.00 0.00 C ATOM 1693 CD1 PHE 3 56 22.542 -3.733 2.451 1.00 0.00 C ATOM 1694 CD2 PHE 3 56 23.735 -1.833 3.373 1.00 0.00 C ATOM 1695 CE1 PHE 3 56 23.670 -4.075 1.696 1.00 0.00 C ATOM 1696 CE2 PHE 3 56 24.863 -2.176 2.617 1.00 0.00 C ATOM 1697 CZ PHE 3 56 24.831 -3.296 1.779 1.00 0.00 C ATOM 0 H PHE 3 56 20.766 -0.381 2.512 1.00 0.00 H new ATOM 0 HA PHE 3 56 19.960 -3.275 2.770 1.00 0.00 H new ATOM 0 HB2 PHE 3 56 21.478 -1.246 4.526 1.00 0.00 H new ATOM 0 HB3 PHE 3 56 21.245 -2.933 4.940 1.00 0.00 H new ATOM 0 HD1 PHE 3 56 21.647 -4.333 2.387 1.00 0.00 H new ATOM 0 HD2 PHE 3 56 23.760 -0.968 4.019 1.00 0.00 H new ATOM 0 HE1 PHE 3 56 23.645 -4.940 1.049 1.00 0.00 H new ATOM 0 HE2 PHE 3 56 25.758 -1.575 2.681 1.00 0.00 H new ATOM 0 HZ PHE 3 56 25.701 -3.560 1.196 1.00 0.00 H new