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= -1.05! C(o=-6.8!,f=-8.9!) USER MOD Set 1.2: 3 26 TYR OH : rot 180:sc= -0.507 USER MOD Set 1.3: 3 52 ASN : amide:sc= -5.25! C(o=-6.8!,f=-11!) 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) USER MOD Single : 3 17 TYR OH : rot 180:sc= 0 USER MOD Single : 3 20 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : 3 21 ASN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : 3 23 TYR OH : rot 180:sc= 0.482 USER MOD Single : 3 24 TYR OH : rot 180:sc= 0 USER MOD Single : 3 25 CYS SG : rot 180:sc= -0.205 USER MOD Single : 3 31 THR OG1 : rot 180:sc= -0.266 USER MOD Single : 3 33 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0904) USER MOD Single : 3 46 THR OG1 : rot 104:sc= 0.991 USER MOD Single : 3 50 GLN : amide:sc= -0.034 K(o=-0.034,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 790 N ARG 3 3 41.094 -7.679 -5.430 1.00 0.00 N ATOM 791 CA ARG 3 3 41.253 -6.694 -4.325 1.00 0.00 C ATOM 792 C ARG 3 3 40.023 -6.766 -3.414 1.00 0.00 C ATOM 793 O ARG 3 3 39.034 -6.096 -3.634 1.00 0.00 O ATOM 794 CB ARG 3 3 41.349 -5.334 -5.018 1.00 0.00 C ATOM 795 CG ARG 3 3 42.505 -5.346 -6.023 1.00 0.00 C ATOM 796 CD ARG 3 3 42.108 -4.539 -7.260 1.00 0.00 C ATOM 797 NE ARG 3 3 43.065 -4.952 -8.325 1.00 0.00 N ATOM 798 CZ ARG 3 3 44.222 -5.465 -8.004 1.00 0.00 C ATOM 799 NH1 ARG 3 3 44.529 -6.673 -8.394 1.00 0.00 N ATOM 800 NH2 ARG 3 3 45.071 -4.773 -7.295 1.00 0.00 N ATOM 0 HA ARG 3 3 42.129 -6.881 -3.704 1.00 0.00 H new ATOM 0 HB2 ARG 3 3 40.413 -5.109 -5.529 1.00 0.00 H new ATOM 0 HB3 ARG 3 3 41.506 -4.549 -4.279 1.00 0.00 H new ATOM 0 HG2 ARG 3 3 43.401 -4.921 -5.570 1.00 0.00 H new ATOM 0 HG3 ARG 3 3 42.746 -6.371 -6.305 1.00 0.00 H new ATOM 0 HD2 ARG 3 3 41.079 -4.749 -7.553 1.00 0.00 H new ATOM 0 HD3 ARG 3 3 42.172 -3.468 -7.068 1.00 0.00 H new ATOM 0 HE ARG 3 3 42.816 -4.834 -9.307 1.00 0.00 H new ATOM 0 HH11 ARG 3 3 43.865 -7.214 -8.948 1.00 0.00 H new ATOM 0 HH12 ARG 3 3 45.432 -7.075 -8.144 1.00 0.00 H new ATOM 0 HH21 ARG 3 3 44.831 -3.829 -6.990 1.00 0.00 H new ATOM 0 HH22 ARG 3 3 45.974 -5.176 -7.045 1.00 0.00 H new ATOM 814 N ARG 3 4 40.069 -7.599 -2.407 1.00 0.00 N ATOM 815 CA ARG 3 4 38.893 -7.743 -1.496 1.00 0.00 C ATOM 816 C ARG 3 4 38.866 -6.631 -0.446 1.00 0.00 C ATOM 817 O ARG 3 4 37.869 -5.959 -0.270 1.00 0.00 O ATOM 818 CB ARG 3 4 39.078 -9.104 -0.825 1.00 0.00 C ATOM 819 CG ARG 3 4 37.777 -9.901 -0.922 1.00 0.00 C ATOM 820 CD ARG 3 4 37.057 -9.873 0.429 1.00 0.00 C ATOM 821 NE ARG 3 4 37.788 -10.856 1.275 1.00 0.00 N ATOM 822 CZ ARG 3 4 37.232 -11.326 2.358 1.00 0.00 C ATOM 823 NH1 ARG 3 4 35.980 -11.692 2.342 1.00 0.00 N ATOM 824 NH2 ARG 3 4 37.929 -11.429 3.456 1.00 0.00 N ATOM 0 H ARG 3 4 40.870 -8.186 -2.175 1.00 0.00 H new ATOM 0 HA ARG 3 4 37.952 -7.672 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG 3 4 39.889 -9.651 -1.306 1.00 0.00 H new ATOM 0 HB3 ARG 3 4 39.359 -8.971 0.220 1.00 0.00 H new ATOM 0 HG2 ARG 3 4 37.136 -9.478 -1.696 1.00 0.00 H new ATOM 0 HG3 ARG 3 4 37.990 -10.930 -1.211 1.00 0.00 H new ATOM 0 HD2 ARG 3 4 37.083 -8.876 0.870 1.00 0.00 H new ATOM 0 HD3 ARG 3 4 36.007 -10.147 0.323 1.00 0.00 H new ATOM 0 HE ARG 3 4 38.724 -11.162 1.008 1.00 0.00 H new ATOM 0 HH11 ARG 3 4 35.436 -11.611 1.483 1.00 0.00 H new ATOM 0 HH12 ARG 3 4 35.545 -12.059 3.188 1.00 0.00 H new ATOM 0 HH21 ARG 3 4 38.908 -11.142 3.468 1.00 0.00 H new ATOM 0 HH22 ARG 3 4 37.495 -11.796 4.303 1.00 0.00 H new ATOM 838 N ARG 3 5 39.940 -6.438 0.268 1.00 0.00 N ATOM 839 CA ARG 3 5 39.946 -5.375 1.313 1.00 0.00 C ATOM 840 C ARG 3 5 41.201 -4.507 1.199 1.00 0.00 C ATOM 841 O ARG 3 5 42.290 -4.994 0.967 1.00 0.00 O ATOM 842 CB ARG 3 5 39.937 -6.126 2.643 1.00 0.00 C ATOM 843 CG ARG 3 5 38.958 -5.449 3.603 1.00 0.00 C ATOM 844 CD ARG 3 5 39.680 -5.096 4.905 1.00 0.00 C ATOM 845 NE ARG 3 5 39.335 -6.196 5.845 1.00 0.00 N ATOM 846 CZ ARG 3 5 39.275 -5.966 7.128 1.00 0.00 C ATOM 847 NH1 ARG 3 5 38.386 -5.136 7.602 1.00 0.00 N ATOM 848 NH2 ARG 3 5 40.106 -6.565 7.937 1.00 0.00 N ATOM 0 H ARG 3 5 40.808 -6.966 0.175 1.00 0.00 H new ATOM 0 HA ARG 3 5 39.093 -4.704 1.213 1.00 0.00 H new ATOM 0 HB2 ARG 3 5 39.648 -7.165 2.484 1.00 0.00 H new ATOM 0 HB3 ARG 3 5 40.938 -6.136 3.074 1.00 0.00 H new ATOM 0 HG2 ARG 3 5 38.549 -4.548 3.146 1.00 0.00 H new ATOM 0 HG3 ARG 3 5 38.118 -6.112 3.809 1.00 0.00 H new ATOM 0 HD2 ARG 3 5 40.757 -5.029 4.754 1.00 0.00 H new ATOM 0 HD3 ARG 3 5 39.352 -4.130 5.289 1.00 0.00 H new ATOM 0 HE ARG 3 5 39.145 -7.132 5.486 1.00 0.00 H new ATOM 0 HH11 ARG 3 5 37.738 -4.667 6.969 1.00 0.00 H new ATOM 0 HH12 ARG 3 5 38.339 -4.957 8.605 1.00 0.00 H new ATOM 0 HH21 ARG 3 5 40.802 -7.212 7.566 1.00 0.00 H new ATOM 0 HH22 ARG 3 5 40.060 -6.386 8.940 1.00 0.00 H new ATOM 862 N SER 3 6 41.052 -3.223 1.372 1.00 0.00 N ATOM 863 CA SER 3 6 42.228 -2.313 1.288 1.00 0.00 C ATOM 864 C SER 3 6 42.245 -1.384 2.504 1.00 0.00 C ATOM 865 O SER 3 6 41.285 -1.298 3.242 1.00 0.00 O ATOM 866 CB SER 3 6 42.024 -1.515 0.001 1.00 0.00 C ATOM 867 OG SER 3 6 43.021 -1.883 -0.943 1.00 0.00 O ATOM 0 H SER 3 6 40.163 -2.763 1.569 1.00 0.00 H new ATOM 0 HA SER 3 6 43.176 -2.852 1.279 1.00 0.00 H new ATOM 0 HB2 SER 3 6 41.032 -1.708 -0.407 1.00 0.00 H new ATOM 0 HB3 SER 3 6 42.081 -0.447 0.209 1.00 0.00 H new ATOM 0 HG SER 3 6 42.892 -1.374 -1.770 1.00 0.00 H new ATOM 873 N HIS 3 7 43.326 -0.690 2.722 1.00 0.00 N ATOM 874 CA HIS 3 7 43.394 0.227 3.894 1.00 0.00 C ATOM 875 C HIS 3 7 42.489 1.443 3.669 1.00 0.00 C ATOM 876 O HIS 3 7 41.908 1.976 4.594 1.00 0.00 O ATOM 877 CB HIS 3 7 44.861 0.648 3.980 1.00 0.00 C ATOM 878 CG HIS 3 7 45.590 -0.288 4.904 1.00 0.00 C ATOM 879 ND1 HIS 3 7 45.834 0.024 6.232 1.00 0.00 N ATOM 880 CD2 HIS 3 7 46.130 -1.535 4.707 1.00 0.00 C ATOM 881 CE1 HIS 3 7 46.494 -1.014 6.778 1.00 0.00 C ATOM 882 NE2 HIS 3 7 46.699 -1.992 5.892 1.00 0.00 N ATOM 0 H HIS 3 7 44.164 -0.717 2.141 1.00 0.00 H new ATOM 0 HA HIS 3 7 43.055 -0.249 4.814 1.00 0.00 H new ATOM 0 HB2 HIS 3 7 45.316 0.628 2.990 1.00 0.00 H new ATOM 0 HB3 HIS 3 7 44.937 1.672 4.346 1.00 0.00 H new ATOM 0 HD2 HIS 3 7 46.115 -2.079 3.774 1.00 0.00 H new ATOM 0 HE1 HIS 3 7 46.818 -1.052 7.807 1.00 0.00 H new ATOM 0 HE2 HIS 3 7 47.171 -2.882 6.050 1.00 0.00 H new ATOM 890 N GLU 3 8 42.358 1.882 2.447 1.00 0.00 N ATOM 891 CA GLU 3 8 41.481 3.060 2.176 1.00 0.00 C ATOM 892 C GLU 3 8 40.022 2.668 2.366 1.00 0.00 C ATOM 893 O GLU 3 8 39.234 3.401 2.928 1.00 0.00 O ATOM 894 CB GLU 3 8 41.746 3.449 0.719 1.00 0.00 C ATOM 895 CG GLU 3 8 43.250 3.428 0.445 1.00 0.00 C ATOM 896 CD GLU 3 8 43.576 4.402 -0.689 1.00 0.00 C ATOM 897 OE1 GLU 3 8 42.779 5.297 -0.922 1.00 0.00 O ATOM 898 OE2 GLU 3 8 44.616 4.238 -1.304 1.00 0.00 O ATOM 0 H GLU 3 8 42.816 1.480 1.629 1.00 0.00 H new ATOM 0 HA GLU 3 8 41.688 3.890 2.852 1.00 0.00 H new ATOM 0 HB2 GLU 3 8 41.235 2.757 0.049 1.00 0.00 H new ATOM 0 HB3 GLU 3 8 41.344 4.442 0.519 1.00 0.00 H new ATOM 0 HG2 GLU 3 8 43.798 3.705 1.345 1.00 0.00 H new ATOM 0 HG3 GLU 3 8 43.567 2.421 0.176 1.00 0.00 H new ATOM 905 N ARG 3 9 39.664 1.504 1.914 1.00 0.00 N ATOM 906 CA ARG 3 9 38.261 1.042 2.079 1.00 0.00 C ATOM 907 C ARG 3 9 37.908 0.995 3.568 1.00 0.00 C ATOM 908 O ARG 3 9 36.750 0.961 3.938 1.00 0.00 O ATOM 909 CB ARG 3 9 38.231 -0.362 1.475 1.00 0.00 C ATOM 910 CG ARG 3 9 37.221 -0.406 0.325 1.00 0.00 C ATOM 911 CD ARG 3 9 35.799 -0.335 0.888 1.00 0.00 C ATOM 912 NE ARG 3 9 35.719 -1.444 1.879 1.00 0.00 N ATOM 913 CZ ARG 3 9 34.853 -1.389 2.852 1.00 0.00 C ATOM 914 NH1 ARG 3 9 35.259 -1.207 4.078 1.00 0.00 N ATOM 915 NH2 ARG 3 9 33.579 -1.518 2.601 1.00 0.00 N ATOM 0 H ARG 3 9 40.283 0.850 1.436 1.00 0.00 H new ATOM 0 HA ARG 3 9 37.542 1.703 1.596 1.00 0.00 H new ATOM 0 HB2 ARG 3 9 39.222 -0.634 1.112 1.00 0.00 H new ATOM 0 HB3 ARG 3 9 37.960 -1.091 2.238 1.00 0.00 H new ATOM 0 HG2 ARG 3 9 37.395 0.426 -0.357 1.00 0.00 H new ATOM 0 HG3 ARG 3 9 37.350 -1.323 -0.251 1.00 0.00 H new ATOM 0 HD2 ARG 3 9 35.609 0.629 1.359 1.00 0.00 H new ATOM 0 HD3 ARG 3 9 35.056 -0.456 0.100 1.00 0.00 H new ATOM 0 HE ARG 3 9 36.342 -2.247 1.796 1.00 0.00 H new ATOM 0 HH11 ARG 3 9 36.255 -1.108 4.276 1.00 0.00 H new ATOM 0 HH12 ARG 3 9 34.581 -1.164 4.839 1.00 0.00 H new ATOM 0 HH21 ARG 3 9 33.260 -1.662 1.643 1.00 0.00 H new ATOM 0 HH22 ARG 3 9 32.902 -1.475 3.363 1.00 0.00 H new ATOM 929 N ARG 3 10 38.895 0.998 4.428 1.00 0.00 N ATOM 930 CA ARG 3 10 38.607 0.958 5.883 1.00 0.00 C ATOM 931 C ARG 3 10 37.818 2.202 6.296 1.00 0.00 C ATOM 932 O ARG 3 10 37.108 2.203 7.281 1.00 0.00 O ATOM 933 CB ARG 3 10 39.976 0.942 6.552 1.00 0.00 C ATOM 934 CG ARG 3 10 39.931 -0.009 7.740 1.00 0.00 C ATOM 935 CD ARG 3 10 41.158 -0.917 7.721 1.00 0.00 C ATOM 936 NE ARG 3 10 41.526 -1.094 9.152 1.00 0.00 N ATOM 937 CZ ARG 3 10 42.273 -2.099 9.516 1.00 0.00 C ATOM 938 NH1 ARG 3 10 42.031 -3.293 9.048 1.00 0.00 N ATOM 939 NH2 ARG 3 10 43.262 -1.911 10.347 1.00 0.00 N ATOM 0 H ARG 3 10 39.884 1.026 4.181 1.00 0.00 H new ATOM 0 HA ARG 3 10 38.006 0.094 6.166 1.00 0.00 H new ATOM 0 HB2 ARG 3 10 40.739 0.623 5.842 1.00 0.00 H new ATOM 0 HB3 ARG 3 10 40.247 1.945 6.882 1.00 0.00 H new ATOM 0 HG2 ARG 3 10 39.901 0.558 8.671 1.00 0.00 H new ATOM 0 HG3 ARG 3 10 39.022 -0.609 7.703 1.00 0.00 H new ATOM 0 HD2 ARG 3 10 40.934 -1.874 7.249 1.00 0.00 H new ATOM 0 HD3 ARG 3 10 41.974 -0.467 7.156 1.00 0.00 H new ATOM 0 HE ARG 3 10 41.193 -0.428 9.849 1.00 0.00 H new ATOM 0 HH11 ARG 3 10 41.258 -3.439 8.398 1.00 0.00 H new ATOM 0 HH12 ARG 3 10 42.615 -4.080 9.332 1.00 0.00 H new ATOM 0 HH21 ARG 3 10 43.451 -0.978 10.712 1.00 0.00 H new ATOM 0 HH22 ARG 3 10 43.846 -2.698 10.631 1.00 0.00 H new ATOM 953 N ASP 3 11 37.941 3.263 5.546 1.00 0.00 N ATOM 954 CA ASP 3 11 37.201 4.510 5.889 1.00 0.00 C ATOM 955 C ASP 3 11 36.079 4.764 4.878 1.00 0.00 C ATOM 956 O ASP 3 11 35.200 5.572 5.107 1.00 0.00 O ATOM 957 CB ASP 3 11 38.247 5.623 5.820 1.00 0.00 C ATOM 958 CG ASP 3 11 38.442 6.230 7.210 1.00 0.00 C ATOM 959 OD1 ASP 3 11 38.173 7.410 7.363 1.00 0.00 O ATOM 960 OD2 ASP 3 11 38.858 5.504 8.098 1.00 0.00 O ATOM 0 H ASP 3 11 38.523 3.320 4.710 1.00 0.00 H new ATOM 0 HA ASP 3 11 36.731 4.450 6.871 1.00 0.00 H new ATOM 0 HB2 ASP 3 11 39.192 5.225 5.450 1.00 0.00 H new ATOM 0 HB3 ASP 3 11 37.928 6.393 5.117 1.00 0.00 H new ATOM 965 N LEU 3 12 36.097 4.086 3.759 1.00 0.00 N ATOM 966 CA LEU 3 12 35.023 4.307 2.748 1.00 0.00 C ATOM 967 C LEU 3 12 33.795 3.452 3.071 1.00 0.00 C ATOM 968 O LEU 3 12 33.918 2.343 3.553 1.00 0.00 O ATOM 969 CB LEU 3 12 35.603 3.852 1.410 1.00 0.00 C ATOM 970 CG LEU 3 12 36.758 4.758 0.986 1.00 0.00 C ATOM 971 CD1 LEU 3 12 37.773 3.947 0.179 1.00 0.00 C ATOM 972 CD2 LEU 3 12 36.215 5.897 0.121 1.00 0.00 C ATOM 0 H LEU 3 12 36.803 3.395 3.504 1.00 0.00 H new ATOM 0 HA LEU 3 12 34.713 5.352 2.734 1.00 0.00 H new ATOM 0 HB2 LEU 3 12 35.952 2.823 1.491 1.00 0.00 H new ATOM 0 HB3 LEU 3 12 34.825 3.866 0.647 1.00 0.00 H new ATOM 0 HG LEU 3 12 37.243 5.169 1.871 1.00 0.00 H new ATOM 0 HD11 LEU 3 12 38.597 4.593 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU 3 12 38.157 3.132 0.792 1.00 0.00 H new ATOM 0 HD13 LEU 3 12 37.289 3.537 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU 3 12 37.036 6.546 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU 3 12 35.732 5.483 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU 3 12 35.489 6.475 0.694 1.00 0.00 H new ATOM 984 N PRO 3 13 32.647 3.989 2.763 1.00 0.00 N ATOM 985 CA PRO 3 13 31.380 3.259 2.988 1.00 0.00 C ATOM 986 C PRO 3 13 31.174 2.272 1.840 1.00 0.00 C ATOM 987 O PRO 3 13 31.931 2.271 0.889 1.00 0.00 O ATOM 988 CB PRO 3 13 30.323 4.352 2.916 1.00 0.00 C ATOM 989 CG PRO 3 13 30.928 5.415 2.054 1.00 0.00 C ATOM 990 CD PRO 3 13 32.424 5.318 2.190 1.00 0.00 C ATOM 0 HA PRO 3 13 31.353 2.702 3.925 1.00 0.00 H new ATOM 0 HB2 PRO 3 13 29.394 3.976 2.487 1.00 0.00 H new ATOM 0 HB3 PRO 3 13 30.083 4.736 3.908 1.00 0.00 H new ATOM 0 HG2 PRO 3 13 30.629 5.281 1.014 1.00 0.00 H new ATOM 0 HG3 PRO 3 13 30.579 6.401 2.361 1.00 0.00 H new ATOM 0 HD2 PRO 3 13 32.919 5.424 1.225 1.00 0.00 H new ATOM 0 HD3 PRO 3 13 32.817 6.102 2.838 1.00 0.00 H new ATOM 998 N PRO 3 14 30.145 1.484 1.940 1.00 0.00 N ATOM 999 CA PRO 3 14 29.847 0.520 0.860 1.00 0.00 C ATOM 1000 C PRO 3 14 29.355 1.277 -0.380 1.00 0.00 C ATOM 1001 O PRO 3 14 28.642 2.254 -0.275 1.00 0.00 O ATOM 1002 CB PRO 3 14 28.749 -0.360 1.454 1.00 0.00 C ATOM 1003 CG PRO 3 14 28.106 0.484 2.506 1.00 0.00 C ATOM 1004 CD PRO 3 14 29.176 1.402 3.041 1.00 0.00 C ATOM 0 HA PRO 3 14 30.709 -0.066 0.540 1.00 0.00 H new ATOM 0 HB2 PRO 3 14 28.028 -0.660 0.693 1.00 0.00 H new ATOM 0 HB3 PRO 3 14 29.163 -1.274 1.879 1.00 0.00 H new ATOM 0 HG2 PRO 3 14 27.278 1.057 2.089 1.00 0.00 H new ATOM 0 HG3 PRO 3 14 27.695 -0.137 3.302 1.00 0.00 H new ATOM 0 HD2 PRO 3 14 28.773 2.383 3.294 1.00 0.00 H new ATOM 0 HD3 PRO 3 14 29.631 1.001 3.947 1.00 0.00 H new ATOM 1012 N ASN 3 15 29.748 0.830 -1.545 1.00 0.00 N ATOM 1013 CA ASN 3 15 29.333 1.497 -2.826 1.00 0.00 C ATOM 1014 C ASN 3 15 30.065 2.832 -3.018 1.00 0.00 C ATOM 1015 O ASN 3 15 29.619 3.695 -3.750 1.00 0.00 O ATOM 1016 CB ASN 3 15 27.819 1.712 -2.730 1.00 0.00 C ATOM 1017 CG ASN 3 15 27.161 0.480 -2.106 1.00 0.00 C ATOM 1018 OD1 ASN 3 15 27.653 -0.622 -2.247 1.00 0.00 O ATOM 1019 ND2 ASN 3 15 26.063 0.621 -1.416 1.00 0.00 N ATOM 0 H ASN 3 15 30.350 0.016 -1.669 1.00 0.00 H new ATOM 0 HA ASN 3 15 29.589 0.880 -3.687 1.00 0.00 H new ATOM 0 HB2 ASN 3 15 27.605 2.595 -2.127 1.00 0.00 H new ATOM 0 HB3 ASN 3 15 27.404 1.895 -3.721 1.00 0.00 H new ATOM 0 HD21 ASN 3 15 25.617 -0.194 -0.995 1.00 0.00 H new ATOM 0 HD22 ASN 3 15 25.650 1.546 -1.298 1.00 0.00 H new ATOM 1026 N LEU 3 16 31.199 2.998 -2.393 1.00 0.00 N ATOM 1027 CA LEU 3 16 31.975 4.264 -2.565 1.00 0.00 C ATOM 1028 C LEU 3 16 33.470 3.945 -2.558 1.00 0.00 C ATOM 1029 O LEU 3 16 33.986 3.360 -1.627 1.00 0.00 O ATOM 1030 CB LEU 3 16 31.614 5.150 -1.373 1.00 0.00 C ATOM 1031 CG LEU 3 16 31.803 6.625 -1.756 1.00 0.00 C ATOM 1032 CD1 LEU 3 16 33.250 6.874 -2.198 1.00 0.00 C ATOM 1033 CD2 LEU 3 16 30.859 6.974 -2.908 1.00 0.00 C ATOM 0 H LEU 3 16 31.624 2.312 -1.769 1.00 0.00 H new ATOM 0 HA LEU 3 16 31.742 4.762 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU 3 16 30.582 4.971 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU 3 16 32.243 4.902 -0.518 1.00 0.00 H new ATOM 0 HG LEU 3 16 31.580 7.248 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU 3 16 33.373 7.923 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU 3 16 33.928 6.627 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU 3 16 33.480 6.249 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU 3 16 30.991 8.021 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU 3 16 31.085 6.343 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU 3 16 29.828 6.808 -2.596 1.00 0.00 H new ATOM 1045 N TYR 3 17 34.164 4.314 -3.594 1.00 0.00 N ATOM 1046 CA TYR 3 17 35.621 4.020 -3.653 1.00 0.00 C ATOM 1047 C TYR 3 17 36.389 5.254 -4.117 1.00 0.00 C ATOM 1048 O TYR 3 17 35.835 6.153 -4.717 1.00 0.00 O ATOM 1049 CB TYR 3 17 35.761 2.894 -4.678 1.00 0.00 C ATOM 1050 CG TYR 3 17 34.836 1.758 -4.315 1.00 0.00 C ATOM 1051 CD1 TYR 3 17 34.913 1.167 -3.049 1.00 0.00 C ATOM 1052 CD2 TYR 3 17 33.900 1.296 -5.248 1.00 0.00 C ATOM 1053 CE1 TYR 3 17 34.056 0.110 -2.716 1.00 0.00 C ATOM 1054 CE2 TYR 3 17 33.044 0.239 -4.916 1.00 0.00 C ATOM 1055 CZ TYR 3 17 33.121 -0.353 -3.650 1.00 0.00 C ATOM 1056 OH TYR 3 17 32.278 -1.395 -3.324 1.00 0.00 O ATOM 0 H TYR 3 17 33.786 4.807 -4.403 1.00 0.00 H new ATOM 0 HA TYR 3 17 36.022 3.739 -2.679 1.00 0.00 H new ATOM 0 HB2 TYR 3 17 35.523 3.265 -5.675 1.00 0.00 H new ATOM 0 HB3 TYR 3 17 36.792 2.541 -4.707 1.00 0.00 H new ATOM 0 HD1 TYR 3 17 35.633 1.526 -2.329 1.00 0.00 H new ATOM 0 HD2 TYR 3 17 33.838 1.755 -6.224 1.00 0.00 H new ATOM 0 HE1 TYR 3 17 34.116 -0.347 -1.740 1.00 0.00 H new ATOM 0 HE2 TYR 3 17 32.324 -0.120 -5.637 1.00 0.00 H new ATOM 0 HH TYR 3 17 31.691 -1.591 -4.084 1.00 0.00 H new ATOM 1066 N ILE 3 18 37.664 5.302 -3.854 1.00 0.00 N ATOM 1067 CA ILE 3 18 38.461 6.480 -4.293 1.00 0.00 C ATOM 1068 C ILE 3 18 39.294 6.097 -5.517 1.00 0.00 C ATOM 1069 O ILE 3 18 39.816 5.003 -5.611 1.00 0.00 O ATOM 1070 CB ILE 3 18 39.363 6.814 -3.102 1.00 0.00 C ATOM 1071 CG1 ILE 3 18 39.517 8.333 -2.989 1.00 0.00 C ATOM 1072 CG2 ILE 3 18 40.741 6.177 -3.293 1.00 0.00 C ATOM 1073 CD1 ILE 3 18 40.338 8.857 -4.168 1.00 0.00 C ATOM 0 H ILE 3 18 38.187 4.581 -3.357 1.00 0.00 H new ATOM 0 HA ILE 3 18 37.842 7.332 -4.575 1.00 0.00 H new ATOM 0 HB ILE 3 18 38.910 6.421 -2.192 1.00 0.00 H new ATOM 0 HG12 ILE 3 18 38.536 8.808 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE 3 18 40.007 8.590 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE 3 18 41.376 6.420 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE 3 18 40.634 5.095 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE 3 18 41.196 6.562 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE 3 18 40.446 9.938 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE 3 18 41.324 8.393 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE 3 18 39.830 8.614 -5.101 1.00 0.00 H new ATOM 1085 N ARG 3 19 39.421 6.990 -6.460 1.00 0.00 N ATOM 1086 CA ARG 3 19 40.213 6.684 -7.676 1.00 0.00 C ATOM 1087 C ARG 3 19 41.665 7.040 -7.409 1.00 0.00 C ATOM 1088 O ARG 3 19 42.039 7.357 -6.298 1.00 0.00 O ATOM 1089 CB ARG 3 19 39.626 7.565 -8.785 1.00 0.00 C ATOM 1090 CG ARG 3 19 38.093 7.628 -8.674 1.00 0.00 C ATOM 1091 CD ARG 3 19 37.505 6.223 -8.480 1.00 0.00 C ATOM 1092 NE ARG 3 19 37.781 5.504 -9.752 1.00 0.00 N ATOM 1093 CZ ARG 3 19 38.896 4.848 -9.889 1.00 0.00 C ATOM 1094 NH1 ARG 3 19 39.187 3.886 -9.058 1.00 0.00 N ATOM 1095 NH2 ARG 3 19 39.721 5.157 -10.852 1.00 0.00 N ATOM 0 H ARG 3 19 39.007 7.922 -6.437 1.00 0.00 H new ATOM 0 HA ARG 3 19 40.172 5.632 -7.958 1.00 0.00 H new ATOM 0 HB2 ARG 3 19 40.042 8.570 -8.717 1.00 0.00 H new ATOM 0 HB3 ARG 3 19 39.909 7.168 -9.760 1.00 0.00 H new ATOM 0 HG2 ARG 3 19 37.810 8.265 -7.836 1.00 0.00 H new ATOM 0 HG3 ARG 3 19 37.677 8.081 -9.574 1.00 0.00 H new ATOM 0 HD2 ARG 3 19 37.968 5.716 -7.633 1.00 0.00 H new ATOM 0 HD3 ARG 3 19 36.435 6.269 -8.278 1.00 0.00 H new ATOM 0 HE ARG 3 19 37.101 5.525 -10.512 1.00 0.00 H new ATOM 0 HH11 ARG 3 19 38.541 3.650 -8.304 1.00 0.00 H new ATOM 0 HH12 ARG 3 19 40.060 3.369 -9.162 1.00 0.00 H new ATOM 0 HH21 ARG 3 19 39.492 5.913 -11.497 1.00 0.00 H new ATOM 0 HH22 ARG 3 19 40.595 4.643 -10.959 1.00 0.00 H new ATOM 1109 N ASN 3 20 42.496 6.992 -8.399 1.00 0.00 N ATOM 1110 CA ASN 3 20 43.915 7.336 -8.156 1.00 0.00 C ATOM 1111 C ASN 3 20 44.095 8.858 -8.182 1.00 0.00 C ATOM 1112 O ASN 3 20 45.088 9.383 -7.720 1.00 0.00 O ATOM 1113 CB ASN 3 20 44.684 6.670 -9.296 1.00 0.00 C ATOM 1114 CG ASN 3 20 44.514 5.152 -9.211 1.00 0.00 C ATOM 1115 OD1 ASN 3 20 44.310 4.611 -8.141 1.00 0.00 O ATOM 1116 ND2 ASN 3 20 44.588 4.436 -10.301 1.00 0.00 N ATOM 0 H ASN 3 20 42.260 6.733 -9.357 1.00 0.00 H new ATOM 0 HA ASN 3 20 44.270 6.995 -7.183 1.00 0.00 H new ATOM 0 HB2 ASN 3 20 44.318 7.034 -10.256 1.00 0.00 H new ATOM 0 HB3 ASN 3 20 45.740 6.932 -9.237 1.00 0.00 H new ATOM 0 HD21 ASN 3 20 44.475 3.423 -10.255 1.00 0.00 H new ATOM 0 HD22 ASN 3 20 44.759 4.890 -11.198 1.00 0.00 H new ATOM 1123 N ASN 3 21 43.133 9.572 -8.706 1.00 0.00 N ATOM 1124 CA ASN 3 21 43.240 11.059 -8.747 1.00 0.00 C ATOM 1125 C ASN 3 21 42.783 11.681 -7.420 1.00 0.00 C ATOM 1126 O ASN 3 21 42.569 12.874 -7.329 1.00 0.00 O ATOM 1127 CB ASN 3 21 42.318 11.490 -9.889 1.00 0.00 C ATOM 1128 CG ASN 3 21 42.767 10.819 -11.189 1.00 0.00 C ATOM 1129 OD1 ASN 3 21 41.955 10.309 -11.935 1.00 0.00 O ATOM 1130 ND2 ASN 3 21 44.036 10.796 -11.491 1.00 0.00 N ATOM 0 H ASN 3 21 42.277 9.188 -9.107 1.00 0.00 H new ATOM 0 HA ASN 3 21 44.268 11.387 -8.901 1.00 0.00 H new ATOM 0 HB2 ASN 3 21 41.288 11.215 -9.662 1.00 0.00 H new ATOM 0 HB3 ASN 3 21 42.341 12.574 -10.000 1.00 0.00 H new ATOM 0 HD21 ASN 3 21 44.347 10.350 -12.354 1.00 0.00 H new ATOM 0 HD22 ASN 3 21 44.717 11.224 -10.864 1.00 0.00 H new ATOM 1137 N GLY 3 22 42.624 10.891 -6.392 1.00 0.00 N ATOM 1138 CA GLY 3 22 42.176 11.451 -5.086 1.00 0.00 C ATOM 1139 C GLY 3 22 40.684 11.802 -5.160 1.00 0.00 C ATOM 1140 O GLY 3 22 40.164 12.510 -4.320 1.00 0.00 O ATOM 0 H GLY 3 22 42.785 9.884 -6.401 1.00 0.00 H new ATOM 0 HA2 GLY 3 22 42.350 10.727 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY 3 22 42.757 12.340 -4.842 1.00 0.00 H new ATOM 1144 N TYR 3 23 39.991 11.311 -6.155 1.00 0.00 N ATOM 1145 CA TYR 3 23 38.535 11.613 -6.277 1.00 0.00 C ATOM 1146 C TYR 3 23 37.709 10.454 -5.710 1.00 0.00 C ATOM 1147 O TYR 3 23 37.997 9.303 -5.957 1.00 0.00 O ATOM 1148 CB TYR 3 23 38.294 11.747 -7.781 1.00 0.00 C ATOM 1149 CG TYR 3 23 37.395 12.929 -8.047 1.00 0.00 C ATOM 1150 CD1 TYR 3 23 37.935 14.111 -8.566 1.00 0.00 C ATOM 1151 CD2 TYR 3 23 36.023 12.843 -7.781 1.00 0.00 C ATOM 1152 CE1 TYR 3 23 37.105 15.207 -8.819 1.00 0.00 C ATOM 1153 CE2 TYR 3 23 35.191 13.941 -8.035 1.00 0.00 C ATOM 1154 CZ TYR 3 23 35.733 15.123 -8.554 1.00 0.00 C ATOM 1155 OH TYR 3 23 34.914 16.205 -8.803 1.00 0.00 O ATOM 0 H TYR 3 23 40.372 10.713 -6.889 1.00 0.00 H new ATOM 0 HA TYR 3 23 38.248 12.510 -5.729 1.00 0.00 H new ATOM 0 HB2 TYR 3 23 39.243 11.875 -8.301 1.00 0.00 H new ATOM 0 HB3 TYR 3 23 37.838 10.836 -8.169 1.00 0.00 H new ATOM 0 HD1 TYR 3 23 38.993 14.177 -8.771 1.00 0.00 H new ATOM 0 HD2 TYR 3 23 35.606 11.931 -7.380 1.00 0.00 H new ATOM 0 HE1 TYR 3 23 37.523 16.119 -9.219 1.00 0.00 H new ATOM 0 HE2 TYR 3 23 34.133 13.876 -7.831 1.00 0.00 H new ATOM 0 HH TYR 3 23 33.991 15.978 -8.565 1.00 0.00 H new ATOM 1165 N TYR 3 24 36.683 10.740 -4.958 1.00 0.00 N ATOM 1166 CA TYR 3 24 35.852 9.643 -4.397 1.00 0.00 C ATOM 1167 C TYR 3 24 34.608 9.430 -5.272 1.00 0.00 C ATOM 1168 O TYR 3 24 33.690 10.228 -5.268 1.00 0.00 O ATOM 1169 CB TYR 3 24 35.467 10.132 -3.004 1.00 0.00 C ATOM 1170 CG TYR 3 24 36.671 10.063 -2.095 1.00 0.00 C ATOM 1171 CD1 TYR 3 24 36.759 9.065 -1.117 1.00 0.00 C ATOM 1172 CD2 TYR 3 24 37.701 11.002 -2.230 1.00 0.00 C ATOM 1173 CE1 TYR 3 24 37.877 9.006 -0.276 1.00 0.00 C ATOM 1174 CE2 TYR 3 24 38.817 10.943 -1.389 1.00 0.00 C ATOM 1175 CZ TYR 3 24 38.906 9.946 -0.410 1.00 0.00 C ATOM 1176 OH TYR 3 24 40.007 9.888 0.419 1.00 0.00 O ATOM 0 H TYR 3 24 36.386 11.684 -4.709 1.00 0.00 H new ATOM 0 HA TYR 3 24 36.375 8.687 -4.361 1.00 0.00 H new ATOM 0 HB2 TYR 3 24 35.096 11.155 -3.056 1.00 0.00 H new ATOM 0 HB3 TYR 3 24 34.659 9.520 -2.602 1.00 0.00 H new ATOM 0 HD1 TYR 3 24 35.965 8.341 -1.011 1.00 0.00 H new ATOM 0 HD2 TYR 3 24 37.634 11.772 -2.984 1.00 0.00 H new ATOM 0 HE1 TYR 3 24 37.946 8.235 0.477 1.00 0.00 H new ATOM 0 HE2 TYR 3 24 39.611 11.667 -1.495 1.00 0.00 H new ATOM 0 HH TYR 3 24 40.626 10.613 0.191 1.00 0.00 H new ATOM 1186 N CYS 3 25 34.571 8.366 -6.025 1.00 0.00 N ATOM 1187 CA CYS 3 25 33.385 8.114 -6.895 1.00 0.00 C ATOM 1188 C CYS 3 25 32.491 7.044 -6.268 1.00 0.00 C ATOM 1189 O CYS 3 25 32.924 6.269 -5.438 1.00 0.00 O ATOM 1190 CB CYS 3 25 33.960 7.625 -8.223 1.00 0.00 C ATOM 1191 SG CYS 3 25 34.924 8.956 -8.980 1.00 0.00 S ATOM 0 H CYS 3 25 35.307 7.662 -6.077 1.00 0.00 H new ATOM 0 HA CYS 3 25 32.771 9.005 -7.025 1.00 0.00 H new ATOM 0 HB2 CYS 3 25 34.590 6.751 -8.060 1.00 0.00 H new ATOM 0 HB3 CYS 3 25 33.155 7.318 -8.891 1.00 0.00 H new ATOM 0 HG CYS 3 25 35.418 8.545 -10.110 1.00 0.00 H new ATOM 1197 N TYR 3 26 31.249 6.991 -6.657 1.00 0.00 N ATOM 1198 CA TYR 3 26 30.338 5.964 -6.082 1.00 0.00 C ATOM 1199 C TYR 3 26 30.104 4.841 -7.094 1.00 0.00 C ATOM 1200 O TYR 3 26 29.682 5.076 -8.209 1.00 0.00 O ATOM 1201 CB TYR 3 26 29.029 6.700 -5.792 1.00 0.00 C ATOM 1202 CG TYR 3 26 28.069 5.761 -5.100 1.00 0.00 C ATOM 1203 CD1 TYR 3 26 27.478 4.711 -5.812 1.00 0.00 C ATOM 1204 CD2 TYR 3 26 27.772 5.939 -3.743 1.00 0.00 C ATOM 1205 CE1 TYR 3 26 26.592 3.838 -5.169 1.00 0.00 C ATOM 1206 CE2 TYR 3 26 26.886 5.068 -3.100 1.00 0.00 C ATOM 1207 CZ TYR 3 26 26.295 4.018 -3.812 1.00 0.00 C ATOM 1208 OH TYR 3 26 25.422 3.159 -3.175 1.00 0.00 O ATOM 0 H TYR 3 26 30.826 7.612 -7.346 1.00 0.00 H new ATOM 0 HA TYR 3 26 30.753 5.507 -5.184 1.00 0.00 H new ATOM 0 HB2 TYR 3 26 29.220 7.571 -5.164 1.00 0.00 H new ATOM 0 HB3 TYR 3 26 28.591 7.066 -6.721 1.00 0.00 H new ATOM 0 HD1 TYR 3 26 27.706 4.574 -6.859 1.00 0.00 H new ATOM 0 HD2 TYR 3 26 28.227 6.749 -3.193 1.00 0.00 H new ATOM 0 HE1 TYR 3 26 26.138 3.027 -5.719 1.00 0.00 H new ATOM 0 HE2 TYR 3 26 26.658 5.206 -2.053 1.00 0.00 H new ATOM 0 HH TYR 3 26 25.328 3.425 -2.236 1.00 0.00 H new ATOM 1218 N ARG 3 27 30.364 3.622 -6.713 1.00 0.00 N ATOM 1219 CA ARG 3 27 30.143 2.487 -7.653 1.00 0.00 C ATOM 1220 C ARG 3 27 28.695 2.010 -7.543 1.00 0.00 C ATOM 1221 O ARG 3 27 28.281 1.493 -6.525 1.00 0.00 O ATOM 1222 CB ARG 3 27 31.109 1.393 -7.195 1.00 0.00 C ATOM 1223 CG ARG 3 27 31.101 0.248 -8.209 1.00 0.00 C ATOM 1224 CD ARG 3 27 32.407 0.265 -9.008 1.00 0.00 C ATOM 1225 NE ARG 3 27 32.738 -1.168 -9.234 1.00 0.00 N ATOM 1226 CZ ARG 3 27 32.464 -1.730 -10.380 1.00 0.00 C ATOM 1227 NH1 ARG 3 27 31.314 -2.320 -10.559 1.00 0.00 N ATOM 1228 NH2 ARG 3 27 33.344 -1.711 -11.343 1.00 0.00 N ATOM 0 H ARG 3 27 30.719 3.362 -5.793 1.00 0.00 H new ATOM 0 HA ARG 3 27 30.317 2.763 -8.693 1.00 0.00 H new ATOM 0 HB2 ARG 3 27 32.116 1.799 -7.097 1.00 0.00 H new ATOM 0 HB3 ARG 3 27 30.818 1.024 -6.212 1.00 0.00 H new ATOM 0 HG2 ARG 3 27 30.989 -0.707 -7.695 1.00 0.00 H new ATOM 0 HG3 ARG 3 27 30.249 0.350 -8.882 1.00 0.00 H new ATOM 0 HD2 ARG 3 27 32.285 0.796 -9.952 1.00 0.00 H new ATOM 0 HD3 ARG 3 27 33.200 0.771 -8.458 1.00 0.00 H new ATOM 0 HE ARG 3 27 33.180 -1.712 -8.493 1.00 0.00 H new ATOM 0 HH11 ARG 3 27 30.629 -2.342 -9.803 1.00 0.00 H new ATOM 0 HH12 ARG 3 27 31.100 -2.759 -11.454 1.00 0.00 H new ATOM 0 HH21 ARG 3 27 34.246 -1.257 -11.201 1.00 0.00 H new ATOM 0 HH22 ARG 3 27 33.130 -2.150 -12.238 1.00 0.00 H new ATOM 1242 N ASP 3 28 27.917 2.185 -8.576 1.00 0.00 N ATOM 1243 CA ASP 3 28 26.496 1.745 -8.509 1.00 0.00 C ATOM 1244 C ASP 3 28 26.407 0.226 -8.684 1.00 0.00 C ATOM 1245 O ASP 3 28 27.083 -0.338 -9.517 1.00 0.00 O ATOM 1246 CB ASP 3 28 25.805 2.460 -9.670 1.00 0.00 C ATOM 1247 CG ASP 3 28 25.590 3.931 -9.310 1.00 0.00 C ATOM 1248 OD1 ASP 3 28 25.728 4.262 -8.144 1.00 0.00 O ATOM 1249 OD2 ASP 3 28 25.289 4.702 -10.207 1.00 0.00 O ATOM 0 H ASP 3 28 28.202 2.611 -9.458 1.00 0.00 H new ATOM 0 HA ASP 3 28 26.033 1.983 -7.551 1.00 0.00 H new ATOM 0 HB2 ASP 3 28 26.411 2.381 -10.572 1.00 0.00 H new ATOM 0 HB3 ASP 3 28 24.848 1.984 -9.886 1.00 0.00 H new ATOM 1254 N PRO 3 29 25.569 -0.392 -7.894 1.00 0.00 N ATOM 1255 CA PRO 3 29 25.397 -1.860 -7.984 1.00 0.00 C ATOM 1256 C PRO 3 29 24.526 -2.220 -9.193 1.00 0.00 C ATOM 1257 O PRO 3 29 24.489 -3.354 -9.628 1.00 0.00 O ATOM 1258 CB PRO 3 29 24.684 -2.217 -6.683 1.00 0.00 C ATOM 1259 CG PRO 3 29 23.970 -0.969 -6.268 1.00 0.00 C ATOM 1260 CD PRO 3 29 24.718 0.203 -6.857 1.00 0.00 C ATOM 0 HA PRO 3 29 26.338 -2.395 -8.112 1.00 0.00 H new ATOM 0 HB2 PRO 3 29 23.984 -3.040 -6.831 1.00 0.00 H new ATOM 0 HB3 PRO 3 29 25.394 -2.536 -5.920 1.00 0.00 H new ATOM 0 HG2 PRO 3 29 22.939 -0.982 -6.622 1.00 0.00 H new ATOM 0 HG3 PRO 3 29 23.933 -0.892 -5.181 1.00 0.00 H new ATOM 0 HD2 PRO 3 29 24.034 0.940 -7.278 1.00 0.00 H new ATOM 0 HD3 PRO 3 29 25.312 0.716 -6.101 1.00 0.00 H new ATOM 1268 N ARG 3 30 23.827 -1.261 -9.739 1.00 0.00 N ATOM 1269 CA ARG 3 30 22.961 -1.540 -10.914 1.00 0.00 C ATOM 1270 C ARG 3 30 23.780 -1.442 -12.196 1.00 0.00 C ATOM 1271 O ARG 3 30 23.418 -1.987 -13.220 1.00 0.00 O ATOM 1272 CB ARG 3 30 21.878 -0.461 -10.872 1.00 0.00 C ATOM 1273 CG ARG 3 30 21.347 -0.327 -9.440 1.00 0.00 C ATOM 1274 CD ARG 3 30 21.270 -1.711 -8.786 1.00 0.00 C ATOM 1275 NE ARG 3 30 20.197 -1.594 -7.762 1.00 0.00 N ATOM 1276 CZ ARG 3 30 20.254 -2.313 -6.675 1.00 0.00 C ATOM 1277 NH1 ARG 3 30 19.765 -3.523 -6.667 1.00 0.00 N ATOM 1278 NH2 ARG 3 30 20.801 -1.823 -5.596 1.00 0.00 N ATOM 0 H ARG 3 30 23.821 -0.293 -9.418 1.00 0.00 H new ATOM 0 HA ARG 3 30 22.530 -2.541 -10.890 1.00 0.00 H new ATOM 0 HB2 ARG 3 30 22.285 0.492 -11.211 1.00 0.00 H new ATOM 0 HB3 ARG 3 30 21.065 -0.720 -11.550 1.00 0.00 H new ATOM 0 HG2 ARG 3 30 22.000 0.324 -8.859 1.00 0.00 H new ATOM 0 HG3 ARG 3 30 20.361 0.137 -9.450 1.00 0.00 H new ATOM 0 HD2 ARG 3 30 21.033 -2.482 -9.520 1.00 0.00 H new ATOM 0 HD3 ARG 3 30 22.222 -1.986 -8.331 1.00 0.00 H new ATOM 0 HE ARG 3 30 19.418 -0.952 -7.910 1.00 0.00 H new ATOM 0 HH11 ARG 3 30 19.338 -3.906 -7.511 1.00 0.00 H new ATOM 0 HH12 ARG 3 30 19.809 -4.085 -5.817 1.00 0.00 H new ATOM 0 HH21 ARG 3 30 21.184 -0.878 -5.603 1.00 0.00 H new ATOM 0 HH22 ARG 3 30 20.845 -2.385 -4.746 1.00 0.00 H new ATOM 1292 N THR 3 31 24.880 -0.739 -12.155 1.00 0.00 N ATOM 1293 CA THR 3 31 25.708 -0.603 -13.379 1.00 0.00 C ATOM 1294 C THR 3 31 27.170 -0.954 -13.089 1.00 0.00 C ATOM 1295 O THR 3 31 27.848 -1.550 -13.902 1.00 0.00 O ATOM 1296 CB THR 3 31 25.576 0.866 -13.788 1.00 0.00 C ATOM 1297 OG1 THR 3 31 26.291 1.678 -12.867 1.00 0.00 O ATOM 1298 CG2 THR 3 31 24.100 1.269 -13.786 1.00 0.00 C ATOM 0 H THR 3 31 25.236 -0.257 -11.330 1.00 0.00 H new ATOM 0 HA THR 3 31 25.380 -1.279 -14.169 1.00 0.00 H new ATOM 0 HB THR 3 31 25.986 1.002 -14.789 1.00 0.00 H new ATOM 0 HG1 THR 3 31 26.209 2.619 -13.128 1.00 0.00 H new ATOM 0 HG21 THR 3 31 24.008 2.315 -14.077 1.00 0.00 H new ATOM 0 HG22 THR 3 31 23.552 0.646 -14.493 1.00 0.00 H new ATOM 0 HG23 THR 3 31 23.687 1.133 -12.786 1.00 0.00 H new ATOM 1306 N GLY 3 32 27.659 -0.596 -11.935 1.00 0.00 N ATOM 1307 CA GLY 3 32 29.074 -0.917 -11.591 1.00 0.00 C ATOM 1308 C GLY 3 32 30.003 0.222 -12.030 1.00 0.00 C ATOM 1309 O GLY 3 32 31.189 0.194 -11.769 1.00 0.00 O ATOM 0 H GLY 3 32 27.140 -0.095 -11.214 1.00 0.00 H new ATOM 0 HA2 GLY 3 32 29.166 -1.077 -10.517 1.00 0.00 H new ATOM 0 HA3 GLY 3 32 29.372 -1.846 -12.078 1.00 0.00 H new ATOM 1313 N LYS 3 33 29.486 1.227 -12.689 1.00 0.00 N ATOM 1314 CA LYS 3 33 30.365 2.350 -13.123 1.00 0.00 C ATOM 1315 C LYS 3 33 30.552 3.338 -11.974 1.00 0.00 C ATOM 1316 O LYS 3 33 30.067 3.121 -10.879 1.00 0.00 O ATOM 1317 CB LYS 3 33 29.696 2.997 -14.330 1.00 0.00 C ATOM 1318 CG LYS 3 33 29.040 1.935 -15.206 1.00 0.00 C ATOM 1319 CD LYS 3 33 29.948 0.712 -15.343 1.00 0.00 C ATOM 1320 CE LYS 3 33 30.020 0.324 -16.811 1.00 0.00 C ATOM 1321 NZ LYS 3 33 28.698 -0.292 -17.113 1.00 0.00 N ATOM 0 H LYS 3 33 28.502 1.317 -12.943 1.00 0.00 H new ATOM 0 HA LYS 3 33 31.360 2.001 -13.399 1.00 0.00 H new ATOM 0 HB2 LYS 3 33 28.948 3.716 -13.997 1.00 0.00 H new ATOM 0 HB3 LYS 3 33 30.434 3.551 -14.910 1.00 0.00 H new ATOM 0 HG2 LYS 3 33 28.085 1.638 -14.773 1.00 0.00 H new ATOM 0 HG3 LYS 3 33 28.828 2.349 -16.192 1.00 0.00 H new ATOM 0 HD2 LYS 3 33 30.944 0.936 -14.961 1.00 0.00 H new ATOM 0 HD3 LYS 3 33 29.559 -0.117 -14.751 1.00 0.00 H new ATOM 0 HE2 LYS 3 33 30.203 1.195 -17.441 1.00 0.00 H new ATOM 0 HE3 LYS 3 33 30.833 -0.378 -16.994 1.00 0.00 H new ATOM 0 HZ1 LYS 3 33 28.838 -1.261 -17.463 1.00 0.00 H new ATOM 0 HZ2 LYS 3 33 28.121 -0.316 -16.248 1.00 0.00 H new ATOM 0 HZ3 LYS 3 33 28.211 0.271 -17.839 1.00 0.00 H new ATOM 1335 N GLU 3 34 31.287 4.398 -12.189 1.00 0.00 N ATOM 1336 CA GLU 3 34 31.532 5.348 -11.065 1.00 0.00 C ATOM 1337 C GLU 3 34 30.743 6.648 -11.216 1.00 0.00 C ATOM 1338 O GLU 3 34 30.151 6.926 -12.239 1.00 0.00 O ATOM 1339 CB GLU 3 34 33.033 5.633 -11.117 1.00 0.00 C ATOM 1340 CG GLU 3 34 33.733 4.898 -9.972 1.00 0.00 C ATOM 1341 CD GLU 3 34 33.896 3.422 -10.337 1.00 0.00 C ATOM 1342 OE1 GLU 3 34 32.971 2.866 -10.907 1.00 0.00 O ATOM 1343 OE2 GLU 3 34 34.943 2.872 -10.040 1.00 0.00 O ATOM 0 H GLU 3 34 31.721 4.644 -13.078 1.00 0.00 H new ATOM 0 HA GLU 3 34 31.209 4.919 -10.116 1.00 0.00 H new ATOM 0 HB2 GLU 3 34 33.442 5.310 -12.074 1.00 0.00 H new ATOM 0 HB3 GLU 3 34 33.213 6.705 -11.039 1.00 0.00 H new ATOM 0 HG2 GLU 3 34 34.708 5.346 -9.781 1.00 0.00 H new ATOM 0 HG3 GLU 3 34 33.152 4.995 -9.055 1.00 0.00 H new ATOM 1350 N PHE 3 35 30.768 7.455 -10.191 1.00 0.00 N ATOM 1351 CA PHE 3 35 30.066 8.763 -10.228 1.00 0.00 C ATOM 1352 C PHE 3 35 30.902 9.790 -9.462 1.00 0.00 C ATOM 1353 O PHE 3 35 31.000 9.740 -8.253 1.00 0.00 O ATOM 1354 CB PHE 3 35 28.728 8.526 -9.529 1.00 0.00 C ATOM 1355 CG PHE 3 35 27.610 8.714 -10.525 1.00 0.00 C ATOM 1356 CD1 PHE 3 35 27.415 7.772 -11.544 1.00 0.00 C ATOM 1357 CD2 PHE 3 35 26.772 9.831 -10.435 1.00 0.00 C ATOM 1358 CE1 PHE 3 35 26.381 7.950 -12.471 1.00 0.00 C ATOM 1359 CE2 PHE 3 35 25.738 10.008 -11.361 1.00 0.00 C ATOM 1360 CZ PHE 3 35 25.542 9.068 -12.379 1.00 0.00 C ATOM 0 H PHE 3 35 31.254 7.257 -9.316 1.00 0.00 H new ATOM 0 HA PHE 3 35 29.918 9.139 -11.241 1.00 0.00 H new ATOM 0 HB2 PHE 3 35 28.695 7.519 -9.112 1.00 0.00 H new ATOM 0 HB3 PHE 3 35 28.611 9.220 -8.697 1.00 0.00 H new ATOM 0 HD1 PHE 3 35 28.062 6.910 -11.614 1.00 0.00 H new ATOM 0 HD2 PHE 3 35 26.923 10.557 -9.650 1.00 0.00 H new ATOM 0 HE1 PHE 3 35 26.230 7.225 -13.257 1.00 0.00 H new ATOM 0 HE2 PHE 3 35 25.091 10.870 -11.290 1.00 0.00 H new ATOM 0 HZ PHE 3 35 24.744 9.204 -13.094 1.00 0.00 H new ATOM 1370 N GLY 3 36 31.524 10.710 -10.151 1.00 0.00 N ATOM 1371 CA GLY 3 36 32.363 11.716 -9.445 1.00 0.00 C ATOM 1372 C GLY 3 36 31.530 12.456 -8.399 1.00 0.00 C ATOM 1373 O GLY 3 36 30.703 13.284 -8.725 1.00 0.00 O ATOM 0 H GLY 3 36 31.487 10.806 -11.166 1.00 0.00 H new ATOM 0 HA2 GLY 3 36 33.208 11.223 -8.965 1.00 0.00 H new ATOM 0 HA3 GLY 3 36 32.774 12.426 -10.163 1.00 0.00 H new ATOM 1377 N LEU 3 37 31.755 12.182 -7.141 1.00 0.00 N ATOM 1378 CA LEU 3 37 30.988 12.896 -6.082 1.00 0.00 C ATOM 1379 C LEU 3 37 31.712 14.195 -5.749 1.00 0.00 C ATOM 1380 O LEU 3 37 31.241 15.278 -6.034 1.00 0.00 O ATOM 1381 CB LEU 3 37 30.990 11.955 -4.878 1.00 0.00 C ATOM 1382 CG LEU 3 37 29.706 11.127 -4.874 1.00 0.00 C ATOM 1383 CD1 LEU 3 37 30.014 9.717 -4.370 1.00 0.00 C ATOM 1384 CD2 LEU 3 37 28.676 11.785 -3.952 1.00 0.00 C ATOM 0 H LEU 3 37 32.433 11.499 -6.804 1.00 0.00 H new ATOM 0 HA LEU 3 37 29.971 13.145 -6.385 1.00 0.00 H new ATOM 0 HB2 LEU 3 37 31.859 11.298 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU 3 37 31.068 12.529 -3.955 1.00 0.00 H new ATOM 0 HG LEU 3 37 29.304 11.073 -5.886 1.00 0.00 H new ATOM 0 HD11 LEU 3 37 29.099 9.124 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU 3 37 30.748 9.248 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU 3 37 30.415 9.772 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU 3 37 27.760 11.194 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU 3 37 29.076 11.839 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU 3 37 28.458 12.791 -4.310 1.00 0.00 H new ATOM 1396 N GLY 3 38 32.869 14.087 -5.167 1.00 0.00 N ATOM 1397 CA GLY 3 38 33.655 15.300 -4.829 1.00 0.00 C ATOM 1398 C GLY 3 38 35.093 14.887 -4.533 1.00 0.00 C ATOM 1399 O GLY 3 38 35.381 13.725 -4.311 1.00 0.00 O ATOM 0 H GLY 3 38 33.307 13.203 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY 3 38 33.629 16.009 -5.656 1.00 0.00 H new ATOM 0 HA3 GLY 3 38 33.221 15.802 -3.964 1.00 0.00 H new ATOM 1403 N ARG 3 39 35.999 15.819 -4.507 1.00 0.00 N ATOM 1404 CA ARG 3 39 37.408 15.458 -4.200 1.00 0.00 C ATOM 1405 C ARG 3 39 37.598 15.398 -2.678 1.00 0.00 C ATOM 1406 O ARG 3 39 38.646 15.027 -2.190 1.00 0.00 O ATOM 1407 CB ARG 3 39 38.258 16.571 -4.812 1.00 0.00 C ATOM 1408 CG ARG 3 39 37.720 16.923 -6.202 1.00 0.00 C ATOM 1409 CD ARG 3 39 37.014 18.280 -6.150 1.00 0.00 C ATOM 1410 NE ARG 3 39 35.755 18.086 -6.922 1.00 0.00 N ATOM 1411 CZ ARG 3 39 35.015 19.114 -7.236 1.00 0.00 C ATOM 1412 NH1 ARG 3 39 34.144 19.577 -6.382 1.00 0.00 N ATOM 1413 NH2 ARG 3 39 35.148 19.681 -8.405 1.00 0.00 N ATOM 0 H ARG 3 39 35.828 16.809 -4.684 1.00 0.00 H new ATOM 0 HA ARG 3 39 37.688 14.484 -4.602 1.00 0.00 H new ATOM 0 HB2 ARG 3 39 38.239 17.452 -4.170 1.00 0.00 H new ATOM 0 HB3 ARG 3 39 39.297 16.251 -4.884 1.00 0.00 H new ATOM 0 HG2 ARG 3 39 38.537 16.954 -6.922 1.00 0.00 H new ATOM 0 HG3 ARG 3 39 37.026 16.153 -6.540 1.00 0.00 H new ATOM 0 HD2 ARG 3 39 36.806 18.578 -5.122 1.00 0.00 H new ATOM 0 HD3 ARG 3 39 37.631 19.064 -6.590 1.00 0.00 H new ATOM 0 HE ARG 3 39 35.471 17.148 -7.206 1.00 0.00 H new ATOM 0 HH11 ARG 3 39 34.041 19.135 -5.468 1.00 0.00 H new ATOM 0 HH12 ARG 3 39 33.566 20.381 -6.628 1.00 0.00 H new ATOM 0 HH21 ARG 3 39 35.830 19.320 -9.072 1.00 0.00 H new ATOM 0 HH22 ARG 3 39 34.570 20.485 -8.651 1.00 0.00 H new ATOM 1427 N ASP 3 40 36.579 15.741 -1.925 1.00 0.00 N ATOM 1428 CA ASP 3 40 36.692 15.680 -0.443 1.00 0.00 C ATOM 1429 C ASP 3 40 36.417 14.249 0.022 1.00 0.00 C ATOM 1430 O ASP 3 40 35.600 13.544 -0.535 1.00 0.00 O ATOM 1431 CB ASP 3 40 35.632 16.648 0.082 1.00 0.00 C ATOM 1432 CG ASP 3 40 36.217 18.059 0.150 1.00 0.00 C ATOM 1433 OD1 ASP 3 40 35.905 18.763 1.097 1.00 0.00 O ATOM 1434 OD2 ASP 3 40 36.966 18.413 -0.746 1.00 0.00 O ATOM 0 H ASP 3 40 35.677 16.060 -2.278 1.00 0.00 H new ATOM 0 HA ASP 3 40 37.683 15.953 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP 3 40 34.759 16.636 -0.570 1.00 0.00 H new ATOM 0 HB3 ASP 3 40 35.296 16.334 1.070 1.00 0.00 H new ATOM 1439 N ARG 3 41 37.117 13.817 1.025 1.00 0.00 N ATOM 1440 CA ARG 3 41 36.939 12.427 1.535 1.00 0.00 C ATOM 1441 C ARG 3 41 35.689 12.323 2.408 1.00 0.00 C ATOM 1442 O ARG 3 41 34.834 11.488 2.192 1.00 0.00 O ATOM 1443 CB ARG 3 41 38.200 12.158 2.362 1.00 0.00 C ATOM 1444 CG ARG 3 41 38.002 10.905 3.216 1.00 0.00 C ATOM 1445 CD ARG 3 41 37.906 11.300 4.692 1.00 0.00 C ATOM 1446 NE ARG 3 41 39.058 10.622 5.347 1.00 0.00 N ATOM 1447 CZ ARG 3 41 40.174 11.271 5.539 1.00 0.00 C ATOM 1448 NH1 ARG 3 41 41.030 11.400 4.564 1.00 0.00 N ATOM 1449 NH2 ARG 3 41 40.432 11.790 6.708 1.00 0.00 N ATOM 0 H ARG 3 41 37.815 14.370 1.523 1.00 0.00 H new ATOM 0 HA ARG 3 41 36.808 11.705 0.729 1.00 0.00 H new ATOM 0 HB2 ARG 3 41 39.058 12.028 1.702 1.00 0.00 H new ATOM 0 HB3 ARG 3 41 38.416 13.014 3.001 1.00 0.00 H new ATOM 0 HG2 ARG 3 41 37.096 10.383 2.909 1.00 0.00 H new ATOM 0 HG3 ARG 3 41 38.833 10.216 3.067 1.00 0.00 H new ATOM 0 HD2 ARG 3 41 37.962 12.382 4.816 1.00 0.00 H new ATOM 0 HD3 ARG 3 41 36.959 10.978 5.126 1.00 0.00 H new ATOM 0 HE ARG 3 41 38.975 9.650 5.646 1.00 0.00 H new ATOM 0 HH11 ARG 3 41 40.828 10.994 3.651 1.00 0.00 H new ATOM 0 HH12 ARG 3 41 41.902 11.907 4.715 1.00 0.00 H new ATOM 0 HH21 ARG 3 41 39.762 11.688 7.470 1.00 0.00 H new ATOM 0 HH22 ARG 3 41 41.304 12.297 6.860 1.00 0.00 H new ATOM 1463 N ARG 3 42 35.581 13.163 3.395 1.00 0.00 N ATOM 1464 CA ARG 3 42 34.388 13.107 4.288 1.00 0.00 C ATOM 1465 C ARG 3 42 33.127 13.465 3.501 1.00 0.00 C ATOM 1466 O ARG 3 42 32.032 13.086 3.858 1.00 0.00 O ATOM 1467 CB ARG 3 42 34.662 14.151 5.373 1.00 0.00 C ATOM 1468 CG ARG 3 42 33.340 14.619 5.985 1.00 0.00 C ATOM 1469 CD ARG 3 42 33.626 15.574 7.148 1.00 0.00 C ATOM 1470 NE ARG 3 42 34.124 16.822 6.506 1.00 0.00 N ATOM 1471 CZ ARG 3 42 33.570 17.969 6.791 1.00 0.00 C ATOM 1472 NH1 ARG 3 42 34.251 18.886 7.421 1.00 0.00 N ATOM 1473 NH2 ARG 3 42 32.332 18.199 6.446 1.00 0.00 N ATOM 0 H ARG 3 42 36.264 13.885 3.624 1.00 0.00 H new ATOM 0 HA ARG 3 42 34.227 12.114 4.709 1.00 0.00 H new ATOM 0 HB2 ARG 3 42 35.302 13.726 6.147 1.00 0.00 H new ATOM 0 HB3 ARG 3 42 35.197 15.000 4.947 1.00 0.00 H new ATOM 0 HG2 ARG 3 42 32.734 15.120 5.230 1.00 0.00 H new ATOM 0 HG3 ARG 3 42 32.766 13.762 6.337 1.00 0.00 H new ATOM 0 HD2 ARG 3 42 32.727 15.763 7.734 1.00 0.00 H new ATOM 0 HD3 ARG 3 42 34.368 15.157 7.829 1.00 0.00 H new ATOM 0 HE ARG 3 42 34.898 16.780 5.843 1.00 0.00 H new ATOM 0 HH11 ARG 3 42 35.218 18.707 7.692 1.00 0.00 H new ATOM 0 HH12 ARG 3 42 33.816 19.782 7.643 1.00 0.00 H new ATOM 0 HH21 ARG 3 42 31.798 17.483 5.954 1.00 0.00 H new ATOM 0 HH22 ARG 3 42 31.899 19.095 6.669 1.00 0.00 H new ATOM 1487 N ILE 3 43 33.282 14.205 2.445 1.00 0.00 N ATOM 1488 CA ILE 3 43 32.107 14.617 1.627 1.00 0.00 C ATOM 1489 C ILE 3 43 31.569 13.462 0.773 1.00 0.00 C ATOM 1490 O ILE 3 43 30.450 13.019 0.943 1.00 0.00 O ATOM 1491 CB ILE 3 43 32.664 15.717 0.731 1.00 0.00 C ATOM 1492 CG1 ILE 3 43 32.872 17.000 1.545 1.00 0.00 C ATOM 1493 CG2 ILE 3 43 31.689 15.991 -0.416 1.00 0.00 C ATOM 1494 CD1 ILE 3 43 31.592 17.346 2.310 1.00 0.00 C ATOM 0 H ILE 3 43 34.181 14.548 2.107 1.00 0.00 H new ATOM 0 HA ILE 3 43 31.270 14.938 2.247 1.00 0.00 H new ATOM 0 HB ILE 3 43 33.621 15.392 0.323 1.00 0.00 H new ATOM 0 HG12 ILE 3 43 33.699 16.868 2.243 1.00 0.00 H new ATOM 0 HG13 ILE 3 43 33.143 17.822 0.882 1.00 0.00 H new ATOM 0 HG21 ILE 3 43 32.090 16.778 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE 3 43 31.552 15.082 -1.002 1.00 0.00 H new ATOM 0 HG23 ILE 3 43 30.729 16.308 -0.009 1.00 0.00 H new ATOM 0 HD11 ILE 3 43 31.748 18.258 2.886 1.00 0.00 H new ATOM 0 HD12 ILE 3 43 30.776 17.497 1.604 1.00 0.00 H new ATOM 0 HD13 ILE 3 43 31.340 16.529 2.986 1.00 0.00 H new ATOM 1506 N ALA 3 44 32.349 12.985 -0.157 1.00 0.00 N ATOM 1507 CA ALA 3 44 31.877 11.876 -1.039 1.00 0.00 C ATOM 1508 C ALA 3 44 31.438 10.672 -0.205 1.00 0.00 C ATOM 1509 O ALA 3 44 30.373 10.121 -0.407 1.00 0.00 O ATOM 1510 CB ALA 3 44 33.089 11.513 -1.885 1.00 0.00 C ATOM 0 H ALA 3 44 33.295 13.315 -0.346 1.00 0.00 H new ATOM 0 HA ALA 3 44 31.019 12.171 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA 3 44 32.828 10.702 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA 3 44 33.404 12.383 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA 3 44 33.904 11.194 -1.235 1.00 0.00 H new ATOM 1516 N ILE 3 45 32.247 10.254 0.728 1.00 0.00 N ATOM 1517 CA ILE 3 45 31.870 9.083 1.566 1.00 0.00 C ATOM 1518 C ILE 3 45 30.578 9.387 2.328 1.00 0.00 C ATOM 1519 O ILE 3 45 29.677 8.575 2.390 1.00 0.00 O ATOM 1520 CB ILE 3 45 33.034 8.895 2.536 1.00 0.00 C ATOM 1521 CG1 ILE 3 45 34.080 7.971 1.906 1.00 0.00 C ATOM 1522 CG2 ILE 3 45 32.519 8.268 3.828 1.00 0.00 C ATOM 1523 CD1 ILE 3 45 35.247 8.806 1.385 1.00 0.00 C ATOM 0 H ILE 3 45 33.151 10.672 0.946 1.00 0.00 H new ATOM 0 HA ILE 3 45 31.692 8.186 0.973 1.00 0.00 H new ATOM 0 HB ILE 3 45 33.487 9.863 2.753 1.00 0.00 H new ATOM 0 HG12 ILE 3 45 34.435 7.250 2.642 1.00 0.00 H new ATOM 0 HG13 ILE 3 45 33.634 7.401 1.091 1.00 0.00 H new ATOM 0 HG21 ILE 3 45 33.348 8.133 4.522 1.00 0.00 H new ATOM 0 HG22 ILE 3 45 31.772 8.922 4.278 1.00 0.00 H new ATOM 0 HG23 ILE 3 45 32.068 7.300 3.608 1.00 0.00 H new ATOM 0 HD11 ILE 3 45 35.992 8.149 0.936 1.00 0.00 H new ATOM 0 HD12 ILE 3 45 34.885 9.510 0.635 1.00 0.00 H new ATOM 0 HD13 ILE 3 45 35.698 9.356 2.211 1.00 0.00 H new ATOM 1535 N THR 3 46 30.477 10.558 2.895 1.00 0.00 N ATOM 1536 CA THR 3 46 29.238 10.921 3.640 1.00 0.00 C ATOM 1537 C THR 3 46 28.022 10.736 2.732 1.00 0.00 C ATOM 1538 O THR 3 46 27.029 10.150 3.112 1.00 0.00 O ATOM 1539 CB THR 3 46 29.418 12.397 4.000 1.00 0.00 C ATOM 1540 OG1 THR 3 46 30.122 12.500 5.229 1.00 0.00 O ATOM 1541 CG2 THR 3 46 28.050 13.070 4.134 1.00 0.00 C ATOM 0 H THR 3 46 31.198 11.279 2.875 1.00 0.00 H new ATOM 0 HA THR 3 46 29.080 10.303 4.524 1.00 0.00 H new ATOM 0 HB THR 3 46 29.984 12.894 3.212 1.00 0.00 H new ATOM 0 HG1 THR 3 46 31.053 12.752 5.053 1.00 0.00 H new ATOM 0 HG21 THR 3 46 28.185 14.121 4.390 1.00 0.00 H new ATOM 0 HG22 THR 3 46 27.513 12.993 3.189 1.00 0.00 H new ATOM 0 HG23 THR 3 46 27.477 12.576 4.918 1.00 0.00 H new ATOM 1549 N GLU 3 47 28.101 11.232 1.528 1.00 0.00 N ATOM 1550 CA GLU 3 47 26.959 11.088 0.582 1.00 0.00 C ATOM 1551 C GLU 3 47 26.669 9.606 0.330 1.00 0.00 C ATOM 1552 O GLU 3 47 25.542 9.160 0.404 1.00 0.00 O ATOM 1553 CB GLU 3 47 27.422 11.768 -0.707 1.00 0.00 C ATOM 1554 CG GLU 3 47 27.110 13.264 -0.639 1.00 0.00 C ATOM 1555 CD GLU 3 47 26.107 13.625 -1.736 1.00 0.00 C ATOM 1556 OE1 GLU 3 47 26.236 14.699 -2.299 1.00 0.00 O ATOM 1557 OE2 GLU 3 47 25.230 12.818 -1.996 1.00 0.00 O ATOM 0 H GLU 3 47 28.909 11.732 1.158 1.00 0.00 H new ATOM 0 HA GLU 3 47 26.043 11.532 0.970 1.00 0.00 H new ATOM 0 HB2 GLU 3 47 28.492 11.615 -0.846 1.00 0.00 H new ATOM 0 HB3 GLU 3 47 26.922 11.321 -1.566 1.00 0.00 H new ATOM 0 HG2 GLU 3 47 26.702 13.517 0.340 1.00 0.00 H new ATOM 0 HG3 GLU 3 47 28.025 13.843 -0.763 1.00 0.00 H new ATOM 1564 N ALA 3 48 27.684 8.840 0.033 1.00 0.00 N ATOM 1565 CA ALA 3 48 27.473 7.388 -0.224 1.00 0.00 C ATOM 1566 C ALA 3 48 26.873 6.717 1.012 1.00 0.00 C ATOM 1567 O ALA 3 48 26.081 5.801 0.910 1.00 0.00 O ATOM 1568 CB ALA 3 48 28.867 6.834 -0.512 1.00 0.00 C ATOM 0 H ALA 3 48 28.650 9.158 -0.043 1.00 0.00 H new ATOM 0 HA ALA 3 48 26.784 7.208 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA 3 48 28.799 5.765 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA 3 48 29.287 7.340 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA 3 48 29.511 7.001 0.352 1.00 0.00 H new ATOM 1574 N ILE 3 49 27.240 7.166 2.181 1.00 0.00 N ATOM 1575 CA ILE 3 49 26.681 6.554 3.419 1.00 0.00 C ATOM 1576 C ILE 3 49 25.166 6.740 3.447 1.00 0.00 C ATOM 1577 O ILE 3 49 24.427 5.838 3.782 1.00 0.00 O ATOM 1578 CB ILE 3 49 27.332 7.312 4.575 1.00 0.00 C ATOM 1579 CG1 ILE 3 49 28.435 6.445 5.192 1.00 0.00 C ATOM 1580 CG2 ILE 3 49 26.277 7.624 5.637 1.00 0.00 C ATOM 1581 CD1 ILE 3 49 29.785 7.157 5.078 1.00 0.00 C ATOM 0 H ILE 3 49 27.901 7.928 2.332 1.00 0.00 H new ATOM 0 HA ILE 3 49 26.880 5.484 3.477 1.00 0.00 H new ATOM 0 HB ILE 3 49 27.762 8.243 4.205 1.00 0.00 H new ATOM 0 HG12 ILE 3 49 28.208 6.244 6.239 1.00 0.00 H new ATOM 0 HG13 ILE 3 49 28.479 5.481 4.684 1.00 0.00 H new ATOM 0 HG21 ILE 3 49 26.740 8.165 6.462 1.00 0.00 H new ATOM 0 HG22 ILE 3 49 25.489 8.237 5.198 1.00 0.00 H new ATOM 0 HG23 ILE 3 49 25.848 6.693 6.008 1.00 0.00 H new ATOM 0 HD11 ILE 3 49 30.563 6.534 5.519 1.00 0.00 H new ATOM 0 HD12 ILE 3 49 30.015 7.335 4.028 1.00 0.00 H new ATOM 0 HD13 ILE 3 49 29.740 8.109 5.606 1.00 0.00 H new ATOM 1593 N GLN 3 50 24.698 7.906 3.093 1.00 0.00 N ATOM 1594 CA GLN 3 50 23.227 8.149 3.098 1.00 0.00 C ATOM 1595 C GLN 3 50 22.537 7.189 2.132 1.00 0.00 C ATOM 1596 O GLN 3 50 21.587 6.505 2.477 1.00 0.00 O ATOM 1597 CB GLN 3 50 23.061 9.595 2.629 1.00 0.00 C ATOM 1598 CG GLN 3 50 23.318 10.546 3.799 1.00 0.00 C ATOM 1599 CD GLN 3 50 22.040 10.701 4.624 1.00 0.00 C ATOM 1600 OE1 GLN 3 50 21.071 10.003 4.402 1.00 0.00 O ATOM 1601 NE2 GLN 3 50 21.997 11.595 5.574 1.00 0.00 N ATOM 0 H GLN 3 50 25.269 8.699 2.801 1.00 0.00 H new ATOM 0 HA GLN 3 50 22.783 7.989 4.080 1.00 0.00 H new ATOM 0 HB2 GLN 3 50 23.756 9.806 1.816 1.00 0.00 H new ATOM 0 HB3 GLN 3 50 22.055 9.748 2.237 1.00 0.00 H new ATOM 0 HG2 GLN 3 50 24.122 10.160 4.425 1.00 0.00 H new ATOM 0 HG3 GLN 3 50 23.643 11.518 3.427 1.00 0.00 H new ATOM 0 HE21 GLN 3 50 22.811 12.181 5.760 1.00 0.00 H new ATOM 0 HE22 GLN 3 50 21.150 11.708 6.130 1.00 0.00 H new ATOM 1610 N ALA 3 51 23.016 7.124 0.927 1.00 0.00 N ATOM 1611 CA ALA 3 51 22.403 6.201 -0.064 1.00 0.00 C ATOM 1612 C ALA 3 51 22.450 4.780 0.487 1.00 0.00 C ATOM 1613 O ALA 3 51 21.528 4.008 0.327 1.00 0.00 O ATOM 1614 CB ALA 3 51 23.268 6.324 -1.319 1.00 0.00 C ATOM 0 H ALA 3 51 23.806 7.670 0.583 1.00 0.00 H new ATOM 0 HA ALA 3 51 21.361 6.439 -0.278 1.00 0.00 H new ATOM 0 HB1 ALA 3 51 22.876 5.669 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA 3 51 23.253 7.355 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA 3 51 24.293 6.035 -1.084 1.00 0.00 H new ATOM 1620 N ASN 3 52 23.516 4.438 1.155 1.00 0.00 N ATOM 1621 CA ASN 3 52 23.619 3.075 1.739 1.00 0.00 C ATOM 1622 C ASN 3 52 22.499 2.869 2.759 1.00 0.00 C ATOM 1623 O ASN 3 52 22.027 1.768 2.960 1.00 0.00 O ATOM 1624 CB ASN 3 52 24.986 3.034 2.419 1.00 0.00 C ATOM 1625 CG ASN 3 52 26.084 3.025 1.355 1.00 0.00 C ATOM 1626 OD1 ASN 3 52 25.842 2.670 0.218 1.00 0.00 O ATOM 1627 ND2 ASN 3 52 27.291 3.400 1.677 1.00 0.00 N ATOM 0 H ASN 3 52 24.319 5.044 1.321 1.00 0.00 H new ATOM 0 HA ASN 3 52 23.522 2.289 0.990 1.00 0.00 H new ATOM 0 HB2 ASN 3 52 25.105 3.898 3.073 1.00 0.00 H new ATOM 0 HB3 ASN 3 52 25.066 2.146 3.047 1.00 0.00 H new ATOM 0 HD21 ASN 3 52 28.031 3.395 0.975 1.00 0.00 H new ATOM 0 HD22 ASN 3 52 27.495 3.698 2.631 1.00 0.00 H new ATOM 1634 N ILE 3 53 22.053 3.922 3.396 1.00 0.00 N ATOM 1635 CA ILE 3 53 20.950 3.763 4.383 1.00 0.00 C ATOM 1636 C ILE 3 53 19.705 3.312 3.633 1.00 0.00 C ATOM 1637 O ILE 3 53 19.067 2.339 3.984 1.00 0.00 O ATOM 1638 CB ILE 3 53 20.727 5.147 4.998 1.00 0.00 C ATOM 1639 CG1 ILE 3 53 22.043 5.693 5.557 1.00 0.00 C ATOM 1640 CG2 ILE 3 53 19.705 5.038 6.131 1.00 0.00 C ATOM 1641 CD1 ILE 3 53 22.919 4.537 6.045 1.00 0.00 C ATOM 0 H ILE 3 53 22.402 4.873 3.276 1.00 0.00 H new ATOM 0 HA ILE 3 53 21.179 3.030 5.157 1.00 0.00 H new ATOM 0 HB ILE 3 53 20.358 5.824 4.228 1.00 0.00 H new ATOM 0 HG12 ILE 3 53 22.568 6.260 4.788 1.00 0.00 H new ATOM 0 HG13 ILE 3 53 21.842 6.381 6.378 1.00 0.00 H new ATOM 0 HG21 ILE 3 53 19.544 6.022 6.571 1.00 0.00 H new ATOM 0 HG22 ILE 3 53 18.763 4.658 5.736 1.00 0.00 H new ATOM 0 HG23 ILE 3 53 20.079 4.356 6.894 1.00 0.00 H new ATOM 0 HD11 ILE 3 53 23.854 4.932 6.442 1.00 0.00 H new ATOM 0 HD12 ILE 3 53 22.395 3.989 6.828 1.00 0.00 H new ATOM 0 HD13 ILE 3 53 23.132 3.866 5.213 1.00 0.00 H new ATOM 1653 N GLU 3 54 19.374 4.002 2.578 1.00 0.00 N ATOM 1654 CA GLU 3 54 18.187 3.598 1.776 1.00 0.00 C ATOM 1655 C GLU 3 54 18.451 2.220 1.165 1.00 0.00 C ATOM 1656 O GLU 3 54 17.609 1.343 1.187 1.00 0.00 O ATOM 1657 CB GLU 3 54 18.059 4.661 0.684 1.00 0.00 C ATOM 1658 CG GLU 3 54 17.844 6.033 1.326 1.00 0.00 C ATOM 1659 CD GLU 3 54 16.393 6.154 1.795 1.00 0.00 C ATOM 1660 OE1 GLU 3 54 15.577 6.622 1.019 1.00 0.00 O ATOM 1661 OE2 GLU 3 54 16.123 5.777 2.924 1.00 0.00 O ATOM 0 H GLU 3 54 19.872 4.825 2.238 1.00 0.00 H new ATOM 0 HA GLU 3 54 17.274 3.530 2.368 1.00 0.00 H new ATOM 0 HB2 GLU 3 54 18.958 4.674 0.068 1.00 0.00 H new ATOM 0 HB3 GLU 3 54 17.224 4.422 0.025 1.00 0.00 H new ATOM 0 HG2 GLU 3 54 18.522 6.162 2.170 1.00 0.00 H new ATOM 0 HG3 GLU 3 54 18.073 6.822 0.609 1.00 0.00 H new ATOM 1668 N LEU 3 55 19.629 2.024 0.633 1.00 0.00 N ATOM 1669 CA LEU 3 55 19.975 0.704 0.031 1.00 0.00 C ATOM 1670 C LEU 3 55 19.834 -0.401 1.079 1.00 0.00 C ATOM 1671 O LEU 3 55 19.566 -1.542 0.761 1.00 0.00 O ATOM 1672 CB LEU 3 55 21.434 0.840 -0.414 1.00 0.00 C ATOM 1673 CG LEU 3 55 21.485 1.242 -1.890 1.00 0.00 C ATOM 1674 CD1 LEU 3 55 22.943 1.403 -2.326 1.00 0.00 C ATOM 1675 CD2 LEU 3 55 20.820 0.155 -2.738 1.00 0.00 C ATOM 0 H LEU 3 55 20.369 2.725 0.590 1.00 0.00 H new ATOM 0 HA LEU 3 55 19.320 0.442 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU 3 55 21.942 1.588 0.195 1.00 0.00 H new ATOM 0 HB3 LEU 3 55 21.960 -0.103 -0.265 1.00 0.00 H new ATOM 0 HG LEU 3 55 20.957 2.186 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU 3 55 22.979 1.689 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU 3 55 23.420 2.176 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU 3 55 23.470 0.459 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU 3 55 20.856 0.441 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU 3 55 21.348 -0.788 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU 3 55 19.781 0.037 -2.429 1.00 0.00 H new ATOM 1687 N PHE 3 56 20.017 -0.069 2.326 1.00 0.00 N ATOM 1688 CA PHE 3 56 19.900 -1.096 3.400 1.00 0.00 C ATOM 1689 C PHE 3 56 18.476 -1.127 3.972 1.00 0.00 C ATOM 1690 O PHE 3 56 18.215 -1.793 4.954 1.00 0.00 O ATOM 1691 CB PHE 3 56 20.897 -0.661 4.474 1.00 0.00 C ATOM 1692 CG PHE 3 56 22.258 -1.236 4.164 1.00 0.00 C ATOM 1693 CD1 PHE 3 56 22.839 -1.017 2.910 1.00 0.00 C ATOM 1694 CD2 PHE 3 56 22.939 -1.986 5.131 1.00 0.00 C ATOM 1695 CE1 PHE 3 56 24.102 -1.549 2.622 1.00 0.00 C ATOM 1696 CE2 PHE 3 56 24.202 -2.518 4.842 1.00 0.00 C ATOM 1697 CZ PHE 3 56 24.783 -2.299 3.587 1.00 0.00 C ATOM 0 H PHE 3 56 20.243 0.872 2.649 1.00 0.00 H new ATOM 0 HA PHE 3 56 20.107 -2.099 3.027 1.00 0.00 H new ATOM 0 HB2 PHE 3 56 20.951 0.427 4.515 1.00 0.00 H new ATOM 0 HB3 PHE 3 56 20.562 -1.000 5.454 1.00 0.00 H new ATOM 0 HD1 PHE 3 56 22.314 -0.438 2.165 1.00 0.00 H new ATOM 0 HD2 PHE 3 56 22.491 -2.154 6.099 1.00 0.00 H new ATOM 0 HE1 PHE 3 56 24.551 -1.380 1.654 1.00 0.00 H new ATOM 0 HE2 PHE 3 56 24.728 -3.097 5.587 1.00 0.00 H new ATOM 0 HZ PHE 3 56 25.757 -2.709 3.364 1.00 0.00 H new