USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1035 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: A 940 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A1021 MET CE :methyl -140:sc= -0.783 (180deg=-4.22!) USER MOD Set 2.1: A1014 GLN : amide:sc=-0.00678 X(o=-0.0068,f=-0.017) USER MOD Set 2.2: A1018 LYS NZ :NH3+ -173:sc= 0 (180deg=0) USER MOD Set 3.1: A 980 THR OG1 : rot -169:sc= -4.68! USER MOD Set 3.2: A 981 HIS :FLIP no HD1:sc= -4.72! C(o=-10!,f=-9.4!) USER MOD Single : A 922 ASN : amide:sc= -0.685 K(o=-0.68,f=-1.6!) USER MOD Single : A 924 LYS NZ :NH3+ 162:sc= -0.0352 (180deg=-0.148) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 928 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.4!) USER MOD Single : A 930 THR OG1 : rot -106:sc= -0.309 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl -155:sc= -0.821 (180deg=-2.07!) USER MOD Single : A 941 SER OG : rot 180:sc= 0 USER MOD Single : A 942 LYS NZ :NH3+ -133:sc= -0.673 (180deg=-2.85!) USER MOD Single : A 944 GLN : amide:sc= -0.207 K(o=-0.21,f=-2!) USER MOD Single : A 951 TYR OH : rot 46:sc= -1.14 USER MOD Single : A 954 MET CE :methyl -130:sc= -2.97 (180deg=-7.76!) USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 964 THR OG1 : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot -28:sc= -0.814 USER MOD Single : A 972 SER OG : rot -170:sc= 0 USER MOD Single : A 979 SER OG : rot -150:sc= -0.0293 USER MOD Single : A 986 MET CE :methyl -132:sc= -0.918 (180deg=-5.66!) USER MOD Single : A 988 GLN : amide:sc= -0.666 K(o=-0.67,f=-3.7!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= -0.0142 K(o=-0.014,f=-1.1) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A1001 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1002 MET CE :methyl -124:sc= -1.91 (180deg=-5.03!) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 GLN : amide:sc= -3.69! C(o=-3.7!,f=-8.8!) USER MOD Single : A1007 GLN : amide:sc= -0.0698 X(o=-0.07,f=0) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 136:sc= -3.34 (180deg=-7.99!) USER MOD Single : A1011 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1015 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A1017 TYR OH : rot 133:sc= -0.166! USER MOD Single : A1019 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0085) USER MOD Single : A1020 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.26) USER MOD Single : A1023 THR OG1 : rot 180:sc= 0 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=-0.00054) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -2.54 K(o=-2.5,f=-5!) USER MOD Single : A1041 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1046 MET CE :methyl 159:sc= -0.7 (180deg=-1.75) USER MOD ----------------------------------------------------------------- ATOM 107 N ASN A 922 6.867 -10.147 -6.482 1.00 0.00 N ATOM 108 CA ASN A 922 6.356 -9.608 -5.233 1.00 0.00 C ATOM 109 C ASN A 922 7.016 -8.255 -4.958 1.00 0.00 C ATOM 110 O ASN A 922 6.499 -7.455 -4.180 1.00 0.00 O ATOM 111 CB ASN A 922 6.675 -10.537 -4.060 1.00 0.00 C ATOM 112 CG ASN A 922 6.154 -11.951 -4.324 1.00 0.00 C ATOM 113 OD1 ASN A 922 4.994 -12.165 -4.635 1.00 0.00 O ATOM 114 ND2 ASN A 922 7.073 -12.902 -4.182 1.00 0.00 N ATOM 0 HA ASN A 922 5.275 -9.506 -5.328 1.00 0.00 H new ATOM 0 HB2 ASN A 922 7.752 -10.567 -3.898 1.00 0.00 H new ATOM 0 HB3 ASN A 922 6.226 -10.144 -3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 922 6.824 -13.879 -4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 922 8.027 -12.654 -3.920 1.00 0.00 H new ATOM 121 N ASP A 923 8.148 -8.042 -5.612 1.00 0.00 N ATOM 122 CA ASP A 923 8.884 -6.800 -5.448 1.00 0.00 C ATOM 123 C ASP A 923 8.165 -5.682 -6.206 1.00 0.00 C ATOM 124 O ASP A 923 7.981 -4.587 -5.676 1.00 0.00 O ATOM 125 CB ASP A 923 10.300 -6.920 -6.015 1.00 0.00 C ATOM 126 CG ASP A 923 10.967 -5.591 -6.376 1.00 0.00 C ATOM 127 OD1 ASP A 923 10.663 -5.085 -7.478 1.00 0.00 O ATOM 128 OD2 ASP A 923 11.766 -5.112 -5.543 1.00 0.00 O ATOM 0 H ASP A 923 8.574 -8.708 -6.256 1.00 0.00 H new ATOM 0 HA ASP A 923 8.939 -6.579 -4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 923 10.924 -7.436 -5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 923 10.266 -7.546 -6.906 1.00 0.00 H new ATOM 133 N LYS A 924 7.779 -5.996 -7.434 1.00 0.00 N ATOM 134 CA LYS A 924 7.084 -5.031 -8.269 1.00 0.00 C ATOM 135 C LYS A 924 5.905 -4.445 -7.491 1.00 0.00 C ATOM 136 O LYS A 924 5.667 -3.239 -7.533 1.00 0.00 O ATOM 137 CB LYS A 924 6.686 -5.666 -9.603 1.00 0.00 C ATOM 138 CG LYS A 924 6.316 -4.596 -10.631 1.00 0.00 C ATOM 139 CD LYS A 924 5.246 -5.110 -11.597 1.00 0.00 C ATOM 140 CE LYS A 924 4.013 -5.603 -10.837 1.00 0.00 C ATOM 141 NZ LYS A 924 3.858 -7.066 -10.995 1.00 0.00 N ATOM 0 H LYS A 924 7.934 -6.905 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 924 7.744 -4.201 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 924 7.510 -6.270 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 924 5.841 -6.338 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 924 5.951 -3.706 -10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 924 7.204 -4.301 -11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 924 4.960 -4.315 -12.285 1.00 0.00 H new ATOM 0 HD3 LYS A 924 5.654 -5.921 -12.200 1.00 0.00 H new ATOM 0 HE2 LYS A 924 4.106 -5.353 -9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 924 3.123 -5.095 -11.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 3.226 -7.430 -10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 3.451 -7.273 -11.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 4.788 -7.524 -10.913 1.00 0.00 H new ATOM 155 N VAL A 925 5.197 -5.326 -6.799 1.00 0.00 N ATOM 156 CA VAL A 925 4.048 -4.910 -6.013 1.00 0.00 C ATOM 157 C VAL A 925 4.531 -4.190 -4.753 1.00 0.00 C ATOM 158 O VAL A 925 4.251 -3.007 -4.563 1.00 0.00 O ATOM 159 CB VAL A 925 3.158 -6.117 -5.708 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.856 -5.682 -5.034 1.00 0.00 C ATOM 161 CG2 VAL A 925 2.876 -6.925 -6.976 1.00 0.00 C ATOM 0 H VAL A 925 5.397 -6.326 -6.766 1.00 0.00 H new ATOM 0 HA VAL A 925 3.436 -4.205 -6.575 1.00 0.00 H new ATOM 0 HB VAL A 925 3.695 -6.762 -5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 925 1.242 -6.559 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 925 2.084 -5.171 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 925 1.313 -5.006 -5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 925 2.242 -7.777 -6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 925 2.369 -6.293 -7.705 1.00 0.00 H new ATOM 0 HG23 VAL A 925 3.816 -7.282 -7.397 1.00 0.00 H new ATOM 171 N TYR A 926 5.250 -4.933 -3.924 1.00 0.00 N ATOM 172 CA TYR A 926 5.775 -4.380 -2.687 1.00 0.00 C ATOM 173 C TYR A 926 6.510 -3.063 -2.944 1.00 0.00 C ATOM 174 O TYR A 926 6.672 -2.251 -2.034 1.00 0.00 O ATOM 175 CB TYR A 926 6.772 -5.411 -2.154 1.00 0.00 C ATOM 176 CG TYR A 926 6.122 -6.575 -1.403 1.00 0.00 C ATOM 177 CD1 TYR A 926 4.865 -7.015 -1.768 1.00 0.00 C ATOM 178 CD2 TYR A 926 6.792 -7.185 -0.362 1.00 0.00 C ATOM 179 CE1 TYR A 926 4.253 -8.111 -1.061 1.00 0.00 C ATOM 180 CE2 TYR A 926 6.180 -8.280 0.344 1.00 0.00 C ATOM 181 CZ TYR A 926 4.941 -8.689 -0.040 1.00 0.00 C ATOM 182 OH TYR A 926 4.363 -9.724 0.627 1.00 0.00 O ATOM 0 H TYR A 926 5.481 -5.913 -4.085 1.00 0.00 H new ATOM 0 HA TYR A 926 4.967 -4.177 -1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 926 7.350 -5.808 -2.989 1.00 0.00 H new ATOM 0 HB3 TYR A 926 7.476 -4.911 -1.489 1.00 0.00 H new ATOM 0 HD1 TYR A 926 4.341 -6.538 -2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 926 7.775 -6.841 -0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 926 3.270 -8.466 -1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 926 6.693 -8.766 1.161 1.00 0.00 H new ATOM 0 HH TYR A 926 4.969 -10.039 1.330 1.00 0.00 H new ATOM 192 N GLU A 927 6.935 -2.892 -4.187 1.00 0.00 N ATOM 193 CA GLU A 927 7.649 -1.687 -4.575 1.00 0.00 C ATOM 194 C GLU A 927 6.694 -0.493 -4.611 1.00 0.00 C ATOM 195 O GLU A 927 6.807 0.422 -3.796 1.00 0.00 O ATOM 196 CB GLU A 927 8.345 -1.873 -5.924 1.00 0.00 C ATOM 197 CG GLU A 927 9.771 -2.397 -5.738 1.00 0.00 C ATOM 198 CD GLU A 927 10.785 -1.252 -5.781 1.00 0.00 C ATOM 199 OE1 GLU A 927 10.674 -0.362 -4.910 1.00 0.00 O ATOM 200 OE2 GLU A 927 11.649 -1.293 -6.683 1.00 0.00 O ATOM 0 H GLU A 927 6.799 -3.568 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 927 8.420 -1.489 -3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 927 7.775 -2.570 -6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 927 8.370 -0.923 -6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 927 9.849 -2.921 -4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 927 10.001 -3.121 -6.520 1.00 0.00 H new ATOM 207 N ASN A 928 5.774 -0.540 -5.563 1.00 0.00 N ATOM 208 CA ASN A 928 4.800 0.527 -5.716 1.00 0.00 C ATOM 209 C ASN A 928 4.360 1.013 -4.333 1.00 0.00 C ATOM 210 O ASN A 928 4.354 2.214 -4.066 1.00 0.00 O ATOM 211 CB ASN A 928 3.557 0.036 -6.461 1.00 0.00 C ATOM 212 CG ASN A 928 3.169 1.006 -7.580 1.00 0.00 C ATOM 213 OD1 ASN A 928 2.240 1.788 -7.464 1.00 0.00 O ATOM 214 ND2 ASN A 928 3.931 0.910 -8.666 1.00 0.00 N ATOM 0 H ASN A 928 5.683 -1.301 -6.236 1.00 0.00 H new ATOM 0 HA ASN A 928 5.268 1.331 -6.285 1.00 0.00 H new ATOM 0 HB2 ASN A 928 3.747 -0.952 -6.881 1.00 0.00 H new ATOM 0 HB3 ASN A 928 2.727 -0.069 -5.762 1.00 0.00 H new ATOM 0 HD21 ASN A 928 3.753 1.514 -9.469 1.00 0.00 H new ATOM 0 HD22 ASN A 928 4.693 0.233 -8.696 1.00 0.00 H new ATOM 221 N VAL A 929 4.003 0.055 -3.490 1.00 0.00 N ATOM 222 CA VAL A 929 3.564 0.370 -2.142 1.00 0.00 C ATOM 223 C VAL A 929 4.585 1.298 -1.481 1.00 0.00 C ATOM 224 O VAL A 929 4.238 2.392 -1.037 1.00 0.00 O ATOM 225 CB VAL A 929 3.331 -0.920 -1.353 1.00 0.00 C ATOM 226 CG1 VAL A 929 2.721 -0.622 0.019 1.00 0.00 C ATOM 227 CG2 VAL A 929 2.454 -1.895 -2.142 1.00 0.00 C ATOM 0 H VAL A 929 4.009 -0.940 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 929 2.611 0.899 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 929 4.300 -1.394 -1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 929 2.566 -1.556 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 929 3.397 0.017 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 929 1.765 -0.114 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 929 2.304 -2.803 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 929 1.489 -1.432 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 929 2.944 -2.145 -3.083 1.00 0.00 H new ATOM 237 N THR A 930 5.823 0.829 -1.437 1.00 0.00 N ATOM 238 CA THR A 930 6.896 1.603 -0.838 1.00 0.00 C ATOM 239 C THR A 930 7.206 2.835 -1.692 1.00 0.00 C ATOM 240 O THR A 930 7.027 3.966 -1.244 1.00 0.00 O ATOM 241 CB THR A 930 8.099 0.677 -0.649 1.00 0.00 C ATOM 242 OG1 THR A 930 8.178 -0.045 -1.876 1.00 0.00 O ATOM 243 CG2 THR A 930 7.846 -0.404 0.404 1.00 0.00 C ATOM 0 H THR A 930 6.107 -0.078 -1.807 1.00 0.00 H new ATOM 0 HA THR A 930 6.607 1.988 0.140 1.00 0.00 H new ATOM 0 HB THR A 930 8.969 1.267 -0.362 1.00 0.00 H new ATOM 0 HG1 THR A 930 7.869 -0.964 -1.735 1.00 0.00 H new ATOM 0 HG21 THR A 930 8.731 -1.034 0.499 1.00 0.00 H new ATOM 0 HG22 THR A 930 7.630 0.066 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 930 6.996 -1.016 0.101 1.00 0.00 H new ATOM 251 N GLY A 931 7.665 2.573 -2.907 1.00 0.00 N ATOM 252 CA GLY A 931 8.001 3.646 -3.827 1.00 0.00 C ATOM 253 C GLY A 931 7.062 4.839 -3.644 1.00 0.00 C ATOM 254 O GLY A 931 7.509 5.944 -3.339 1.00 0.00 O ATOM 0 H GLY A 931 7.812 1.633 -3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 931 9.031 3.961 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 931 7.938 3.283 -4.853 1.00 0.00 H new ATOM 258 N LEU A 932 5.778 4.577 -3.839 1.00 0.00 N ATOM 259 CA LEU A 932 4.772 5.616 -3.699 1.00 0.00 C ATOM 260 C LEU A 932 4.879 6.239 -2.306 1.00 0.00 C ATOM 261 O LEU A 932 4.939 7.460 -2.171 1.00 0.00 O ATOM 262 CB LEU A 932 3.382 5.062 -4.021 1.00 0.00 C ATOM 263 CG LEU A 932 2.497 4.733 -2.817 1.00 0.00 C ATOM 264 CD1 LEU A 932 2.110 6.003 -2.057 1.00 0.00 C ATOM 265 CD2 LEU A 932 1.270 3.925 -3.245 1.00 0.00 C ATOM 0 H LEU A 932 5.411 3.660 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 932 4.946 6.415 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 932 2.859 5.787 -4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 932 3.502 4.157 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 932 3.071 4.110 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 932 1.481 5.741 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 932 3.011 6.503 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 932 1.562 6.671 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.657 3.704 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 932 0.686 4.503 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 932 1.592 2.992 -3.708 1.00 0.00 H new ATOM 277 N VAL A 933 4.899 5.371 -1.305 1.00 0.00 N ATOM 278 CA VAL A 933 4.997 5.821 0.073 1.00 0.00 C ATOM 279 C VAL A 933 6.241 6.697 0.232 1.00 0.00 C ATOM 280 O VAL A 933 6.148 7.840 0.676 1.00 0.00 O ATOM 281 CB VAL A 933 4.989 4.618 1.019 1.00 0.00 C ATOM 282 CG1 VAL A 933 5.980 4.816 2.167 1.00 0.00 C ATOM 283 CG2 VAL A 933 3.580 4.349 1.551 1.00 0.00 C ATOM 0 H VAL A 933 4.849 4.359 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 933 4.133 6.431 0.337 1.00 0.00 H new ATOM 0 HB VAL A 933 5.306 3.743 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 933 5.954 3.947 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 933 6.985 4.936 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 933 5.708 5.707 2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 933 3.602 3.489 2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 933 3.223 5.224 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 933 2.909 4.142 0.717 1.00 0.00 H new ATOM 293 N LYS A 934 7.378 6.128 -0.140 1.00 0.00 N ATOM 294 CA LYS A 934 8.640 6.842 -0.045 1.00 0.00 C ATOM 295 C LYS A 934 8.429 8.298 -0.466 1.00 0.00 C ATOM 296 O LYS A 934 9.005 9.209 0.126 1.00 0.00 O ATOM 297 CB LYS A 934 9.726 6.122 -0.846 1.00 0.00 C ATOM 298 CG LYS A 934 9.931 4.696 -0.332 1.00 0.00 C ATOM 299 CD LYS A 934 11.295 4.548 0.346 1.00 0.00 C ATOM 300 CE LYS A 934 11.137 4.258 1.839 1.00 0.00 C ATOM 301 NZ LYS A 934 11.629 2.899 2.158 1.00 0.00 N ATOM 0 H LYS A 934 7.452 5.180 -0.508 1.00 0.00 H new ATOM 0 HA LYS A 934 8.994 6.855 0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 934 9.449 6.096 -1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 934 10.662 6.676 -0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 934 9.140 4.443 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 934 9.855 3.992 -1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 934 11.855 3.741 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 934 11.874 5.461 0.209 1.00 0.00 H new ATOM 0 HE2 LYS A 934 11.690 4.997 2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 934 10.089 4.348 2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 11.514 2.718 3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 11.084 2.197 1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 12.635 2.826 1.905 1.00 0.00 H new ATOM 315 N ALA A 935 7.601 8.472 -1.486 1.00 0.00 N ATOM 316 CA ALA A 935 7.308 9.802 -1.993 1.00 0.00 C ATOM 317 C ALA A 935 6.313 10.491 -1.058 1.00 0.00 C ATOM 318 O ALA A 935 6.548 11.615 -0.615 1.00 0.00 O ATOM 319 CB ALA A 935 6.783 9.697 -3.427 1.00 0.00 C ATOM 0 H ALA A 935 7.124 7.714 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 935 8.212 10.411 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.563 10.694 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.538 9.226 -4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.874 9.096 -3.439 1.00 0.00 H new ATOM 325 N VAL A 936 5.222 9.790 -0.784 1.00 0.00 N ATOM 326 CA VAL A 936 4.191 10.320 0.091 1.00 0.00 C ATOM 327 C VAL A 936 4.844 11.159 1.191 1.00 0.00 C ATOM 328 O VAL A 936 4.329 12.213 1.561 1.00 0.00 O ATOM 329 CB VAL A 936 3.332 9.179 0.639 1.00 0.00 C ATOM 330 CG1 VAL A 936 3.700 8.864 2.090 1.00 0.00 C ATOM 331 CG2 VAL A 936 1.842 9.504 0.510 1.00 0.00 C ATOM 0 H VAL A 936 5.030 8.859 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 936 3.520 10.976 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 936 3.535 8.290 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 936 3.075 8.049 2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 936 4.748 8.569 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 936 3.540 9.749 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 936 1.253 8.677 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 936 1.618 10.411 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 936 1.592 9.656 -0.540 1.00 0.00 H new ATOM 341 N ILE A 937 5.967 10.659 1.684 1.00 0.00 N ATOM 342 CA ILE A 937 6.696 11.349 2.735 1.00 0.00 C ATOM 343 C ILE A 937 7.607 12.406 2.109 1.00 0.00 C ATOM 344 O ILE A 937 7.376 13.604 2.267 1.00 0.00 O ATOM 345 CB ILE A 937 7.437 10.346 3.622 1.00 0.00 C ATOM 346 CG1 ILE A 937 6.455 9.538 4.474 1.00 0.00 C ATOM 347 CG2 ILE A 937 8.496 11.045 4.475 1.00 0.00 C ATOM 348 CD1 ILE A 937 6.678 8.036 4.291 1.00 0.00 C ATOM 0 H ILE A 937 6.390 9.784 1.375 1.00 0.00 H new ATOM 0 HA ILE A 937 6.005 11.873 3.395 1.00 0.00 H new ATOM 0 HB ILE A 937 7.960 9.640 2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 937 6.577 9.802 5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 937 5.432 9.794 4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 937 9.007 10.309 5.096 1.00 0.00 H new ATOM 0 HG22 ILE A 937 9.220 11.537 3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 937 8.017 11.788 5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 937 5.968 7.485 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 937 6.532 7.771 3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 937 7.694 7.780 4.591 1.00 0.00 H new ATOM 360 N GLU A 938 8.625 11.925 1.410 1.00 0.00 N ATOM 361 CA GLU A 938 9.573 12.813 0.759 1.00 0.00 C ATOM 362 C GLU A 938 8.873 14.097 0.307 1.00 0.00 C ATOM 363 O GLU A 938 9.370 15.196 0.546 1.00 0.00 O ATOM 364 CB GLU A 938 10.256 12.117 -0.420 1.00 0.00 C ATOM 365 CG GLU A 938 11.764 12.375 -0.409 1.00 0.00 C ATOM 366 CD GLU A 938 12.535 11.101 -0.057 1.00 0.00 C ATOM 367 OE1 GLU A 938 12.559 10.196 -0.918 1.00 0.00 O ATOM 368 OE2 GLU A 938 13.084 11.063 1.065 1.00 0.00 O ATOM 0 H GLU A 938 8.814 10.931 1.280 1.00 0.00 H new ATOM 0 HA GLU A 938 10.347 13.078 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 938 10.066 11.045 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 938 9.829 12.476 -1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 938 12.082 12.738 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 938 11.998 13.157 0.313 1.00 0.00 H new ATOM 375 N MET A 939 7.730 13.914 -0.338 1.00 0.00 N ATOM 376 CA MET A 939 6.957 15.043 -0.825 1.00 0.00 C ATOM 377 C MET A 939 6.859 16.140 0.237 1.00 0.00 C ATOM 378 O MET A 939 7.429 17.219 0.075 1.00 0.00 O ATOM 379 CB MET A 939 5.551 14.574 -1.205 1.00 0.00 C ATOM 380 CG MET A 939 4.576 15.752 -1.262 1.00 0.00 C ATOM 381 SD MET A 939 2.960 15.184 -1.762 1.00 0.00 S ATOM 382 CE MET A 939 3.402 14.208 -3.190 1.00 0.00 C ATOM 0 H MET A 939 7.321 13.000 -0.534 1.00 0.00 H new ATOM 0 HA MET A 939 7.462 15.454 -1.700 1.00 0.00 H new ATOM 0 HB2 MET A 939 5.580 14.074 -2.173 1.00 0.00 H new ATOM 0 HB3 MET A 939 5.200 13.841 -0.478 1.00 0.00 H new ATOM 0 HG2 MET A 939 4.516 16.232 -0.285 1.00 0.00 H new ATOM 0 HG3 MET A 939 4.940 16.502 -1.964 1.00 0.00 H new ATOM 0 HE1 MET A 939 2.550 14.148 -3.868 1.00 0.00 H new ATOM 0 HE2 MET A 939 4.242 14.675 -3.704 1.00 0.00 H new ATOM 0 HE3 MET A 939 3.684 13.204 -2.872 1.00 0.00 H new ATOM 392 N SER A 940 6.134 15.828 1.300 1.00 0.00 N ATOM 393 CA SER A 940 5.955 16.773 2.389 1.00 0.00 C ATOM 394 C SER A 940 7.260 17.531 2.644 1.00 0.00 C ATOM 395 O SER A 940 7.242 18.730 2.918 1.00 0.00 O ATOM 396 CB SER A 940 5.495 16.064 3.664 1.00 0.00 C ATOM 397 OG SER A 940 4.315 15.294 3.451 1.00 0.00 O ATOM 0 H SER A 940 5.663 14.933 1.431 1.00 0.00 H new ATOM 0 HA SER A 940 5.180 17.483 2.101 1.00 0.00 H new ATOM 0 HB2 SER A 940 6.292 15.414 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 940 5.310 16.803 4.443 1.00 0.00 H new ATOM 0 HG SER A 940 4.231 14.621 4.159 1.00 0.00 H new ATOM 403 N SER A 941 8.360 16.800 2.545 1.00 0.00 N ATOM 404 CA SER A 941 9.671 17.387 2.761 1.00 0.00 C ATOM 405 C SER A 941 9.904 18.528 1.768 1.00 0.00 C ATOM 406 O SER A 941 10.080 19.678 2.168 1.00 0.00 O ATOM 407 CB SER A 941 10.775 16.336 2.630 1.00 0.00 C ATOM 408 OG SER A 941 11.962 16.719 3.318 1.00 0.00 O ATOM 0 H SER A 941 8.370 15.806 2.318 1.00 0.00 H new ATOM 0 HA SER A 941 9.704 17.784 3.776 1.00 0.00 H new ATOM 0 HB2 SER A 941 10.418 15.385 3.025 1.00 0.00 H new ATOM 0 HB3 SER A 941 11.002 16.179 1.576 1.00 0.00 H new ATOM 0 HG SER A 941 12.642 16.021 3.211 1.00 0.00 H new ATOM 414 N LYS A 942 9.896 18.170 0.493 1.00 0.00 N ATOM 415 CA LYS A 942 10.104 19.149 -0.561 1.00 0.00 C ATOM 416 C LYS A 942 8.751 19.709 -1.005 1.00 0.00 C ATOM 417 O LYS A 942 8.591 20.113 -2.156 1.00 0.00 O ATOM 418 CB LYS A 942 10.924 18.543 -1.701 1.00 0.00 C ATOM 419 CG LYS A 942 10.052 17.657 -2.593 1.00 0.00 C ATOM 420 CD LYS A 942 10.070 18.149 -4.041 1.00 0.00 C ATOM 421 CE LYS A 942 8.695 17.989 -4.692 1.00 0.00 C ATOM 422 NZ LYS A 942 8.676 18.628 -6.027 1.00 0.00 N ATOM 0 H LYS A 942 9.749 17.215 0.165 1.00 0.00 H new ATOM 0 HA LYS A 942 10.691 19.990 -0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 942 11.369 19.340 -2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 942 11.745 17.956 -1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 942 10.410 16.628 -2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 942 9.028 17.654 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 942 10.370 19.197 -4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 942 10.813 17.590 -4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 942 8.451 16.931 -4.785 1.00 0.00 H new ATOM 0 HE3 LYS A 942 7.931 18.437 -4.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 7.820 19.212 -6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 9.518 19.228 -6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 8.676 17.894 -6.763 1.00 0.00 H new ATOM 436 N ILE A 943 7.812 19.713 -0.070 1.00 0.00 N ATOM 437 CA ILE A 943 6.478 20.216 -0.352 1.00 0.00 C ATOM 438 C ILE A 943 6.404 21.695 0.032 1.00 0.00 C ATOM 439 O ILE A 943 6.009 22.531 -0.779 1.00 0.00 O ATOM 440 CB ILE A 943 5.423 19.348 0.337 1.00 0.00 C ATOM 441 CG1 ILE A 943 4.315 18.952 -0.642 1.00 0.00 C ATOM 442 CG2 ILE A 943 4.866 20.045 1.580 1.00 0.00 C ATOM 443 CD1 ILE A 943 3.470 20.166 -1.035 1.00 0.00 C ATOM 0 H ILE A 943 7.948 19.376 0.883 1.00 0.00 H new ATOM 0 HA ILE A 943 6.263 20.152 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 943 5.903 18.428 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 943 4.755 18.507 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 943 3.678 18.193 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 943 4.118 19.407 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 943 5.676 20.235 2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 943 4.406 20.990 1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 943 2.690 19.857 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 943 3.012 20.594 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 943 4.105 20.913 -1.511 1.00 0.00 H new ATOM 455 N GLN A 944 6.791 21.973 1.268 1.00 0.00 N ATOM 456 CA GLN A 944 6.774 23.337 1.769 1.00 0.00 C ATOM 457 C GLN A 944 7.322 24.298 0.712 1.00 0.00 C ATOM 458 O GLN A 944 6.674 25.285 0.369 1.00 0.00 O ATOM 459 CB GLN A 944 7.561 23.451 3.076 1.00 0.00 C ATOM 460 CG GLN A 944 6.627 23.725 4.256 1.00 0.00 C ATOM 461 CD GLN A 944 7.320 24.585 5.315 1.00 0.00 C ATOM 462 OE1 GLN A 944 8.245 25.331 5.039 1.00 0.00 O ATOM 463 NE2 GLN A 944 6.822 24.441 6.540 1.00 0.00 N ATOM 0 H GLN A 944 7.118 21.277 1.938 1.00 0.00 H new ATOM 0 HA GLN A 944 5.741 23.613 1.981 1.00 0.00 H new ATOM 0 HB2 GLN A 944 8.115 22.529 3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 944 8.295 24.253 2.994 1.00 0.00 H new ATOM 0 HG2 GLN A 944 5.728 24.230 3.903 1.00 0.00 H new ATOM 0 HG3 GLN A 944 6.309 22.781 4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 944 6.046 23.799 6.703 1.00 0.00 H new ATOM 0 HE22 GLN A 944 7.216 24.973 7.316 1.00 0.00 H new ATOM 472 N PRO A 945 8.543 23.966 0.212 1.00 0.00 N ATOM 473 CA PRO A 945 9.186 24.788 -0.798 1.00 0.00 C ATOM 474 C PRO A 945 8.533 24.586 -2.167 1.00 0.00 C ATOM 475 O PRO A 945 8.172 25.553 -2.835 1.00 0.00 O ATOM 476 CB PRO A 945 10.648 24.372 -0.771 1.00 0.00 C ATOM 477 CG PRO A 945 10.684 23.018 -0.082 1.00 0.00 C ATOM 478 CD PRO A 945 9.340 22.804 0.595 1.00 0.00 C ATOM 0 HA PRO A 945 9.085 25.855 -0.599 1.00 0.00 H new ATOM 0 HB2 PRO A 945 11.054 24.307 -1.780 1.00 0.00 H new ATOM 0 HB3 PRO A 945 11.252 25.101 -0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 945 10.877 22.226 -0.806 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.490 22.984 0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 945 8.873 21.877 0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 945 9.448 22.737 1.678 1.00 0.00 H new ATOM 486 N ALA A 946 8.400 23.322 -2.543 1.00 0.00 N ATOM 487 CA ALA A 946 7.796 22.981 -3.820 1.00 0.00 C ATOM 488 C ALA A 946 6.751 24.038 -4.184 1.00 0.00 C ATOM 489 O ALA A 946 5.830 24.298 -3.410 1.00 0.00 O ATOM 490 CB ALA A 946 7.200 21.574 -3.743 1.00 0.00 C ATOM 0 H ALA A 946 8.700 22.522 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 946 8.547 22.974 -4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 946 6.747 21.318 -4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 946 7.988 20.857 -3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.440 21.543 -2.962 1.00 0.00 H new ATOM 496 N PRO A 947 6.934 24.635 -5.392 1.00 0.00 N ATOM 497 CA PRO A 947 6.018 25.658 -5.867 1.00 0.00 C ATOM 498 C PRO A 947 4.699 25.039 -6.334 1.00 0.00 C ATOM 499 O PRO A 947 4.542 23.819 -6.320 1.00 0.00 O ATOM 500 CB PRO A 947 6.767 26.369 -6.982 1.00 0.00 C ATOM 501 CG PRO A 947 7.883 25.426 -7.402 1.00 0.00 C ATOM 502 CD PRO A 947 8.013 24.353 -6.334 1.00 0.00 C ATOM 0 HA PRO A 947 5.731 26.362 -5.085 1.00 0.00 H new ATOM 0 HB2 PRO A 947 6.105 26.588 -7.820 1.00 0.00 H new ATOM 0 HB3 PRO A 947 7.170 27.321 -6.637 1.00 0.00 H new ATOM 0 HG2 PRO A 947 7.659 24.977 -8.369 1.00 0.00 H new ATOM 0 HG3 PRO A 947 8.821 25.970 -7.513 1.00 0.00 H new ATOM 0 HD2 PRO A 947 7.915 23.355 -6.761 1.00 0.00 H new ATOM 0 HD3 PRO A 947 8.986 24.396 -5.846 1.00 0.00 H new ATOM 510 N PRO A 948 3.759 25.931 -6.747 1.00 0.00 N ATOM 511 CA PRO A 948 2.459 25.485 -7.216 1.00 0.00 C ATOM 512 C PRO A 948 2.558 24.888 -8.621 1.00 0.00 C ATOM 513 O PRO A 948 1.634 24.221 -9.083 1.00 0.00 O ATOM 514 CB PRO A 948 1.574 26.720 -7.158 1.00 0.00 C ATOM 515 CG PRO A 948 2.521 27.908 -7.102 1.00 0.00 C ATOM 516 CD PRO A 948 3.910 27.383 -6.777 1.00 0.00 C ATOM 0 HA PRO A 948 2.044 24.684 -6.604 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.926 26.778 -8.033 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.926 26.695 -6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 948 2.526 28.437 -8.055 1.00 0.00 H new ATOM 0 HG3 PRO A 948 2.195 28.620 -6.344 1.00 0.00 H new ATOM 0 HD2 PRO A 948 4.636 27.690 -7.530 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.264 27.764 -5.819 1.00 0.00 H new ATOM 524 N GLU A 949 3.688 25.149 -9.262 1.00 0.00 N ATOM 525 CA GLU A 949 3.921 24.645 -10.605 1.00 0.00 C ATOM 526 C GLU A 949 4.595 23.273 -10.548 1.00 0.00 C ATOM 527 O GLU A 949 4.532 22.506 -11.508 1.00 0.00 O ATOM 528 CB GLU A 949 4.756 25.632 -11.424 1.00 0.00 C ATOM 529 CG GLU A 949 4.093 25.924 -12.771 1.00 0.00 C ATOM 530 CD GLU A 949 5.129 26.364 -13.808 1.00 0.00 C ATOM 531 OE1 GLU A 949 6.108 27.018 -13.389 1.00 0.00 O ATOM 532 OE2 GLU A 949 4.918 26.037 -14.996 1.00 0.00 O ATOM 0 H GLU A 949 4.452 25.703 -8.876 1.00 0.00 H new ATOM 0 HA GLU A 949 2.957 24.534 -11.102 1.00 0.00 H new ATOM 0 HB2 GLU A 949 4.879 26.560 -10.866 1.00 0.00 H new ATOM 0 HB3 GLU A 949 5.753 25.223 -11.586 1.00 0.00 H new ATOM 0 HG2 GLU A 949 3.574 25.034 -13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 949 3.341 26.704 -12.649 1.00 0.00 H new ATOM 539 N GLU A 950 5.224 23.005 -9.413 1.00 0.00 N ATOM 540 CA GLU A 950 5.909 21.738 -9.218 1.00 0.00 C ATOM 541 C GLU A 950 5.110 20.843 -8.270 1.00 0.00 C ATOM 542 O GLU A 950 5.459 19.681 -8.066 1.00 0.00 O ATOM 543 CB GLU A 950 7.331 21.958 -8.697 1.00 0.00 C ATOM 544 CG GLU A 950 8.351 21.202 -9.550 1.00 0.00 C ATOM 545 CD GLU A 950 9.620 22.033 -9.753 1.00 0.00 C ATOM 546 OE1 GLU A 950 9.544 23.003 -10.537 1.00 0.00 O ATOM 547 OE2 GLU A 950 10.637 21.680 -9.118 1.00 0.00 O ATOM 0 H GLU A 950 5.274 23.643 -8.619 1.00 0.00 H new ATOM 0 HA GLU A 950 5.984 21.236 -10.183 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.564 23.023 -8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.398 21.624 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 950 8.604 20.257 -9.069 1.00 0.00 H new ATOM 0 HG3 GLU A 950 7.912 20.959 -10.518 1.00 0.00 H new ATOM 554 N TYR A 951 4.052 21.417 -7.716 1.00 0.00 N ATOM 555 CA TYR A 951 3.200 20.685 -6.794 1.00 0.00 C ATOM 556 C TYR A 951 2.029 20.032 -7.531 1.00 0.00 C ATOM 557 O TYR A 951 1.664 18.894 -7.238 1.00 0.00 O ATOM 558 CB TYR A 951 2.653 21.723 -5.811 1.00 0.00 C ATOM 559 CG TYR A 951 1.750 21.135 -4.725 1.00 0.00 C ATOM 560 CD1 TYR A 951 2.084 19.939 -4.123 1.00 0.00 C ATOM 561 CD2 TYR A 951 0.603 21.802 -4.347 1.00 0.00 C ATOM 562 CE1 TYR A 951 1.234 19.386 -3.100 1.00 0.00 C ATOM 563 CE2 TYR A 951 -0.247 21.249 -3.324 1.00 0.00 C ATOM 564 CZ TYR A 951 0.110 20.068 -2.752 1.00 0.00 C ATOM 565 OH TYR A 951 -0.692 19.546 -1.786 1.00 0.00 O ATOM 0 H TYR A 951 3.765 22.381 -7.888 1.00 0.00 H new ATOM 0 HA TYR A 951 3.762 19.894 -6.297 1.00 0.00 H new ATOM 0 HB2 TYR A 951 3.490 22.235 -5.336 1.00 0.00 H new ATOM 0 HB3 TYR A 951 2.093 22.475 -6.367 1.00 0.00 H new ATOM 0 HD1 TYR A 951 2.982 19.418 -4.419 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.343 22.738 -4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 951 1.484 18.451 -2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -1.148 21.761 -3.018 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.144 19.253 -1.028 1.00 0.00 H new ATOM 575 N VAL A 952 1.474 20.779 -8.473 1.00 0.00 N ATOM 576 CA VAL A 952 0.352 20.286 -9.254 1.00 0.00 C ATOM 577 C VAL A 952 0.688 18.898 -9.803 1.00 0.00 C ATOM 578 O VAL A 952 -0.120 17.976 -9.704 1.00 0.00 O ATOM 579 CB VAL A 952 -0.004 21.292 -10.351 1.00 0.00 C ATOM 580 CG1 VAL A 952 -0.181 20.592 -11.700 1.00 0.00 C ATOM 581 CG2 VAL A 952 -1.256 22.089 -9.979 1.00 0.00 C ATOM 0 H VAL A 952 1.780 21.722 -8.713 1.00 0.00 H new ATOM 0 HA VAL A 952 -0.533 20.182 -8.626 1.00 0.00 H new ATOM 0 HB VAL A 952 0.825 21.994 -10.443 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -0.434 21.329 -12.462 1.00 0.00 H new ATOM 0 HG12 VAL A 952 0.747 20.090 -11.974 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -0.983 19.857 -11.626 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -1.487 22.797 -10.775 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -2.095 21.407 -9.845 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -1.079 22.633 -9.051 1.00 0.00 H new ATOM 591 N PRO A 953 1.913 18.791 -10.383 1.00 0.00 N ATOM 592 CA PRO A 953 2.366 17.530 -10.947 1.00 0.00 C ATOM 593 C PRO A 953 2.764 16.548 -9.844 1.00 0.00 C ATOM 594 O PRO A 953 2.320 15.401 -9.839 1.00 0.00 O ATOM 595 CB PRO A 953 3.524 17.901 -11.859 1.00 0.00 C ATOM 596 CG PRO A 953 3.975 19.284 -11.419 1.00 0.00 C ATOM 597 CD PRO A 953 2.896 19.862 -10.518 1.00 0.00 C ATOM 0 HA PRO A 953 1.585 17.014 -11.506 1.00 0.00 H new ATOM 0 HB2 PRO A 953 4.336 17.179 -11.772 1.00 0.00 H new ATOM 0 HB3 PRO A 953 3.212 17.906 -12.904 1.00 0.00 H new ATOM 0 HG2 PRO A 953 4.925 19.225 -10.887 1.00 0.00 H new ATOM 0 HG3 PRO A 953 4.134 19.927 -12.285 1.00 0.00 H new ATOM 0 HD2 PRO A 953 3.302 20.151 -9.549 1.00 0.00 H new ATOM 0 HD3 PRO A 953 2.451 20.755 -10.956 1.00 0.00 H new ATOM 605 N MET A 954 3.598 17.033 -8.936 1.00 0.00 N ATOM 606 CA MET A 954 4.061 16.212 -7.831 1.00 0.00 C ATOM 607 C MET A 954 2.981 15.222 -7.393 1.00 0.00 C ATOM 608 O MET A 954 3.224 14.017 -7.336 1.00 0.00 O ATOM 609 CB MET A 954 4.439 17.110 -6.651 1.00 0.00 C ATOM 610 CG MET A 954 5.854 16.799 -6.156 1.00 0.00 C ATOM 611 SD MET A 954 5.901 16.849 -4.373 1.00 0.00 S ATOM 612 CE MET A 954 5.319 18.513 -4.093 1.00 0.00 C ATOM 0 H MET A 954 3.965 17.985 -8.943 1.00 0.00 H new ATOM 0 HA MET A 954 4.932 15.647 -8.163 1.00 0.00 H new ATOM 0 HB2 MET A 954 4.377 18.156 -6.951 1.00 0.00 H new ATOM 0 HB3 MET A 954 3.726 16.968 -5.839 1.00 0.00 H new ATOM 0 HG2 MET A 954 6.164 15.815 -6.509 1.00 0.00 H new ATOM 0 HG3 MET A 954 6.559 17.522 -6.567 1.00 0.00 H new ATOM 0 HE1 MET A 954 5.997 19.026 -3.411 1.00 0.00 H new ATOM 0 HE2 MET A 954 5.283 19.050 -5.041 1.00 0.00 H new ATOM 0 HE3 MET A 954 4.321 18.481 -3.656 1.00 0.00 H new ATOM 622 N VAL A 955 1.810 15.766 -7.095 1.00 0.00 N ATOM 623 CA VAL A 955 0.691 14.945 -6.664 1.00 0.00 C ATOM 624 C VAL A 955 0.249 14.046 -7.820 1.00 0.00 C ATOM 625 O VAL A 955 0.172 12.828 -7.670 1.00 0.00 O ATOM 626 CB VAL A 955 -0.435 15.833 -6.132 1.00 0.00 C ATOM 627 CG1 VAL A 955 -1.795 15.151 -6.294 1.00 0.00 C ATOM 628 CG2 VAL A 955 -0.186 16.219 -4.672 1.00 0.00 C ATOM 0 H VAL A 955 1.612 16.765 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 955 0.989 14.294 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 955 -0.447 16.748 -6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.578 15.804 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -1.978 14.950 -7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.800 14.212 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.001 16.850 -4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -0.134 15.318 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.755 16.764 -4.595 1.00 0.00 H new ATOM 638 N LYS A 956 -0.032 14.682 -8.948 1.00 0.00 N ATOM 639 CA LYS A 956 -0.465 13.955 -10.129 1.00 0.00 C ATOM 640 C LYS A 956 0.342 12.661 -10.251 1.00 0.00 C ATOM 641 O LYS A 956 -0.154 11.662 -10.769 1.00 0.00 O ATOM 642 CB LYS A 956 -0.384 14.850 -11.368 1.00 0.00 C ATOM 643 CG LYS A 956 -1.773 15.088 -11.964 1.00 0.00 C ATOM 644 CD LYS A 956 -2.103 16.581 -12.005 1.00 0.00 C ATOM 645 CE LYS A 956 -2.036 17.118 -13.436 1.00 0.00 C ATOM 646 NZ LYS A 956 -3.389 17.473 -13.921 1.00 0.00 N ATOM 0 H LYS A 956 0.032 15.693 -9.069 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.513 13.669 -10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.070 15.805 -11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 956 0.261 14.387 -12.114 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -1.816 14.675 -12.972 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -2.522 14.562 -11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -3.100 16.748 -11.596 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -1.404 17.129 -11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -1.389 17.994 -13.472 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -1.593 16.368 -14.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -3.325 17.836 -14.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -3.996 16.629 -13.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -3.798 18.204 -13.305 1.00 0.00 H new ATOM 660 N GLU A 957 1.573 12.721 -9.764 1.00 0.00 N ATOM 661 CA GLU A 957 2.453 11.566 -9.812 1.00 0.00 C ATOM 662 C GLU A 957 2.001 10.512 -8.800 1.00 0.00 C ATOM 663 O GLU A 957 1.810 9.349 -9.153 1.00 0.00 O ATOM 664 CB GLU A 957 3.907 11.975 -9.565 1.00 0.00 C ATOM 665 CG GLU A 957 4.855 11.221 -10.500 1.00 0.00 C ATOM 666 CD GLU A 957 5.371 9.940 -9.841 1.00 0.00 C ATOM 667 OE1 GLU A 957 4.527 9.056 -9.580 1.00 0.00 O ATOM 668 OE2 GLU A 957 6.599 9.874 -9.614 1.00 0.00 O ATOM 0 H GLU A 957 1.981 13.551 -9.334 1.00 0.00 H new ATOM 0 HA GLU A 957 2.396 11.131 -10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 957 4.018 13.049 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 957 4.175 11.771 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 957 4.337 10.974 -11.427 1.00 0.00 H new ATOM 0 HG3 GLU A 957 5.696 11.862 -10.765 1.00 0.00 H new ATOM 675 N VAL A 958 1.842 10.955 -7.562 1.00 0.00 N ATOM 676 CA VAL A 958 1.416 10.064 -6.496 1.00 0.00 C ATOM 677 C VAL A 958 0.133 9.346 -6.921 1.00 0.00 C ATOM 678 O VAL A 958 -0.042 8.162 -6.638 1.00 0.00 O ATOM 679 CB VAL A 958 1.259 10.847 -5.191 1.00 0.00 C ATOM 680 CG1 VAL A 958 -0.196 11.269 -4.976 1.00 0.00 C ATOM 681 CG2 VAL A 958 1.776 10.036 -4.000 1.00 0.00 C ATOM 0 H VAL A 958 2.001 11.920 -7.273 1.00 0.00 H new ATOM 0 HA VAL A 958 2.171 9.300 -6.312 1.00 0.00 H new ATOM 0 HB VAL A 958 1.862 11.752 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -0.280 11.824 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.517 11.901 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -0.829 10.383 -4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 958 1.653 10.615 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 958 1.212 9.107 -3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 958 2.832 9.808 -4.146 1.00 0.00 H new ATOM 691 N GLY A 959 -0.731 10.093 -7.592 1.00 0.00 N ATOM 692 CA GLY A 959 -1.993 9.543 -8.058 1.00 0.00 C ATOM 693 C GLY A 959 -1.760 8.408 -9.057 1.00 0.00 C ATOM 694 O GLY A 959 -2.443 7.386 -9.011 1.00 0.00 O ATOM 0 H GLY A 959 -0.582 11.075 -7.824 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -2.568 9.173 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -2.586 10.329 -8.526 1.00 0.00 H new ATOM 698 N LEU A 960 -0.793 8.626 -9.937 1.00 0.00 N ATOM 699 CA LEU A 960 -0.462 7.635 -10.946 1.00 0.00 C ATOM 700 C LEU A 960 0.056 6.369 -10.260 1.00 0.00 C ATOM 701 O LEU A 960 -0.229 5.257 -10.703 1.00 0.00 O ATOM 702 CB LEU A 960 0.510 8.219 -11.973 1.00 0.00 C ATOM 703 CG LEU A 960 0.057 8.163 -13.433 1.00 0.00 C ATOM 704 CD1 LEU A 960 0.655 9.319 -14.237 1.00 0.00 C ATOM 705 CD2 LEU A 960 0.380 6.803 -14.055 1.00 0.00 C ATOM 0 H LEU A 960 -0.228 9.475 -9.972 1.00 0.00 H new ATOM 0 HA LEU A 960 -1.352 7.353 -11.509 1.00 0.00 H new ATOM 0 HB2 LEU A 960 0.701 9.260 -11.712 1.00 0.00 H new ATOM 0 HB3 LEU A 960 1.459 7.690 -11.887 1.00 0.00 H new ATOM 0 HG LEU A 960 -1.026 8.280 -13.460 1.00 0.00 H new ATOM 0 HD11 LEU A 960 0.317 9.256 -15.271 1.00 0.00 H new ATOM 0 HD12 LEU A 960 0.332 10.267 -13.807 1.00 0.00 H new ATOM 0 HD13 LEU A 960 1.743 9.259 -14.206 1.00 0.00 H new ATOM 0 HD21 LEU A 960 0.048 6.790 -15.093 1.00 0.00 H new ATOM 0 HD22 LEU A 960 1.456 6.631 -14.016 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -0.133 6.018 -13.500 1.00 0.00 H new ATOM 717 N ALA A 961 0.808 6.580 -9.189 1.00 0.00 N ATOM 718 CA ALA A 961 1.368 5.469 -8.438 1.00 0.00 C ATOM 719 C ALA A 961 0.231 4.593 -7.907 1.00 0.00 C ATOM 720 O ALA A 961 0.246 3.376 -8.085 1.00 0.00 O ATOM 721 CB ALA A 961 2.260 6.009 -7.318 1.00 0.00 C ATOM 0 H ALA A 961 1.042 7.503 -8.824 1.00 0.00 H new ATOM 0 HA ALA A 961 1.991 4.846 -9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 961 2.680 5.176 -6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 961 3.068 6.600 -7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 961 1.668 6.636 -6.652 1.00 0.00 H new ATOM 727 N LEU A 962 -0.727 5.247 -7.267 1.00 0.00 N ATOM 728 CA LEU A 962 -1.869 4.542 -6.709 1.00 0.00 C ATOM 729 C LEU A 962 -2.528 3.701 -7.804 1.00 0.00 C ATOM 730 O LEU A 962 -2.815 2.523 -7.598 1.00 0.00 O ATOM 731 CB LEU A 962 -2.825 5.525 -6.029 1.00 0.00 C ATOM 732 CG LEU A 962 -2.259 6.292 -4.832 1.00 0.00 C ATOM 733 CD1 LEU A 962 -2.592 7.782 -4.929 1.00 0.00 C ATOM 734 CD2 LEU A 962 -2.738 5.681 -3.514 1.00 0.00 C ATOM 0 H LEU A 962 -0.736 6.257 -7.122 1.00 0.00 H new ATOM 0 HA LEU A 962 -1.548 3.853 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -3.161 6.248 -6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -3.706 4.975 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 962 -1.173 6.204 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -2.178 8.304 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -2.161 8.192 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -3.674 7.913 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -2.322 6.245 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -3.826 5.718 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -2.408 4.644 -3.452 1.00 0.00 H new ATOM 746 N ARG A 963 -2.749 4.339 -8.944 1.00 0.00 N ATOM 747 CA ARG A 963 -3.369 3.664 -10.071 1.00 0.00 C ATOM 748 C ARG A 963 -2.648 2.346 -10.363 1.00 0.00 C ATOM 749 O ARG A 963 -3.275 1.289 -10.415 1.00 0.00 O ATOM 750 CB ARG A 963 -3.338 4.542 -11.324 1.00 0.00 C ATOM 751 CG ARG A 963 -4.475 4.174 -12.279 1.00 0.00 C ATOM 752 CD ARG A 963 -5.780 4.859 -11.868 1.00 0.00 C ATOM 753 NE ARG A 963 -6.758 4.790 -12.976 1.00 0.00 N ATOM 754 CZ ARG A 963 -7.974 5.352 -12.940 1.00 0.00 C ATOM 755 NH1 ARG A 963 -8.369 6.027 -11.852 1.00 0.00 N ATOM 756 NH2 ARG A 963 -8.796 5.238 -13.992 1.00 0.00 N ATOM 0 H ARG A 963 -2.510 5.316 -9.111 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.407 3.464 -9.807 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -3.422 5.591 -11.040 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -2.380 4.425 -11.831 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -4.211 4.467 -13.295 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -4.614 3.093 -12.285 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -6.189 4.377 -10.980 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -5.587 5.899 -11.606 1.00 0.00 H new ATOM 0 HE ARG A 963 -6.490 4.283 -13.820 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -7.744 6.113 -11.051 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -9.295 6.455 -11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -8.496 4.723 -14.820 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -9.722 5.666 -13.965 1.00 0.00 H new ATOM 770 N THR A 964 -1.340 2.452 -10.545 1.00 0.00 N ATOM 771 CA THR A 964 -0.527 1.282 -10.830 1.00 0.00 C ATOM 772 C THR A 964 -0.597 0.288 -9.669 1.00 0.00 C ATOM 773 O THR A 964 -0.751 -0.913 -9.884 1.00 0.00 O ATOM 774 CB THR A 964 0.895 1.757 -11.137 1.00 0.00 C ATOM 775 OG1 THR A 964 0.868 2.053 -12.531 1.00 0.00 O ATOM 776 CG2 THR A 964 1.927 0.634 -11.015 1.00 0.00 C ATOM 0 H THR A 964 -0.823 3.330 -10.501 1.00 0.00 H new ATOM 0 HA THR A 964 -0.901 0.744 -11.701 1.00 0.00 H new ATOM 0 HB THR A 964 1.161 2.569 -10.460 1.00 0.00 H new ATOM 0 HG1 THR A 964 1.751 2.370 -12.815 1.00 0.00 H new ATOM 0 HG21 THR A 964 2.919 1.025 -11.243 1.00 0.00 H new ATOM 0 HG22 THR A 964 1.917 0.240 -9.999 1.00 0.00 H new ATOM 0 HG23 THR A 964 1.681 -0.164 -11.716 1.00 0.00 H new ATOM 784 N LEU A 965 -0.482 0.826 -8.464 1.00 0.00 N ATOM 785 CA LEU A 965 -0.531 0.001 -7.269 1.00 0.00 C ATOM 786 C LEU A 965 -1.656 -1.026 -7.408 1.00 0.00 C ATOM 787 O LEU A 965 -1.456 -2.211 -7.148 1.00 0.00 O ATOM 788 CB LEU A 965 -0.648 0.875 -6.019 1.00 0.00 C ATOM 789 CG LEU A 965 -1.140 0.172 -4.752 1.00 0.00 C ATOM 790 CD1 LEU A 965 0.026 -0.451 -3.983 1.00 0.00 C ATOM 791 CD2 LEU A 965 -1.958 1.126 -3.879 1.00 0.00 C ATOM 0 H LEU A 965 -0.355 1.823 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 965 0.398 -0.557 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 965 0.329 1.311 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -1.325 1.700 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 965 -1.802 -0.642 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -0.351 -0.944 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 965 0.529 -1.182 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 965 0.732 0.329 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -2.296 0.602 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -1.339 1.975 -3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -2.823 1.481 -4.440 1.00 0.00 H new ATOM 803 N LEU A 966 -2.816 -0.533 -7.819 1.00 0.00 N ATOM 804 CA LEU A 966 -3.973 -1.393 -7.996 1.00 0.00 C ATOM 805 C LEU A 966 -3.622 -2.520 -8.969 1.00 0.00 C ATOM 806 O LEU A 966 -3.724 -3.697 -8.625 1.00 0.00 O ATOM 807 CB LEU A 966 -5.191 -0.571 -8.422 1.00 0.00 C ATOM 808 CG LEU A 966 -5.892 0.214 -7.311 1.00 0.00 C ATOM 809 CD1 LEU A 966 -5.205 1.561 -7.074 1.00 0.00 C ATOM 810 CD2 LEU A 966 -7.383 0.377 -7.611 1.00 0.00 C ATOM 0 H LEU A 966 -2.979 0.451 -8.034 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.247 -1.861 -7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -4.878 0.132 -9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -5.917 -1.244 -8.878 1.00 0.00 H new ATOM 0 HG LEU A 966 -5.810 -0.357 -6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -5.723 2.099 -6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -4.168 1.394 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -5.234 2.151 -7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -7.857 0.938 -6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -7.508 0.915 -8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -7.848 -0.606 -7.691 1.00 0.00 H new ATOM 822 N ALA A 967 -3.215 -2.121 -10.165 1.00 0.00 N ATOM 823 CA ALA A 967 -2.848 -3.082 -11.191 1.00 0.00 C ATOM 824 C ALA A 967 -1.856 -4.090 -10.607 1.00 0.00 C ATOM 825 O ALA A 967 -2.144 -5.285 -10.545 1.00 0.00 O ATOM 826 CB ALA A 967 -2.281 -2.343 -12.405 1.00 0.00 C ATOM 0 H ALA A 967 -3.131 -1.144 -10.447 1.00 0.00 H new ATOM 0 HA ALA A 967 -3.724 -3.637 -11.528 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -2.006 -3.065 -13.174 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -3.034 -1.661 -12.800 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.399 -1.777 -12.107 1.00 0.00 H new ATOM 832 N THR A 968 -0.709 -3.572 -10.193 1.00 0.00 N ATOM 833 CA THR A 968 0.326 -4.412 -9.616 1.00 0.00 C ATOM 834 C THR A 968 -0.262 -5.312 -8.528 1.00 0.00 C ATOM 835 O THR A 968 0.040 -6.504 -8.472 1.00 0.00 O ATOM 836 CB THR A 968 1.447 -3.501 -9.111 1.00 0.00 C ATOM 837 OG1 THR A 968 0.830 -2.727 -8.086 1.00 0.00 O ATOM 838 CG2 THR A 968 1.875 -2.466 -10.153 1.00 0.00 C ATOM 0 H THR A 968 -0.474 -2.581 -10.246 1.00 0.00 H new ATOM 0 HA THR A 968 0.747 -5.088 -10.360 1.00 0.00 H new ATOM 0 HB THR A 968 2.307 -4.107 -8.828 1.00 0.00 H new ATOM 0 HG1 THR A 968 -0.127 -2.637 -8.275 1.00 0.00 H new ATOM 0 HG21 THR A 968 2.672 -1.846 -9.744 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.235 -2.976 -11.046 1.00 0.00 H new ATOM 0 HG23 THR A 968 1.023 -1.837 -10.412 1.00 0.00 H new ATOM 846 N VAL A 969 -1.091 -4.708 -7.689 1.00 0.00 N ATOM 847 CA VAL A 969 -1.724 -5.441 -6.605 1.00 0.00 C ATOM 848 C VAL A 969 -2.553 -6.587 -7.186 1.00 0.00 C ATOM 849 O VAL A 969 -2.602 -7.675 -6.615 1.00 0.00 O ATOM 850 CB VAL A 969 -2.548 -4.485 -5.739 1.00 0.00 C ATOM 851 CG1 VAL A 969 -3.496 -5.258 -4.820 1.00 0.00 C ATOM 852 CG2 VAL A 969 -1.640 -3.555 -4.933 1.00 0.00 C ATOM 0 H VAL A 969 -1.339 -3.720 -7.738 1.00 0.00 H new ATOM 0 HA VAL A 969 -0.972 -5.883 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 969 -3.154 -3.868 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -4.070 -4.556 -4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -4.177 -5.859 -5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -2.917 -5.911 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -2.251 -2.886 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -0.996 -4.148 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -1.025 -2.967 -5.614 1.00 0.00 H new ATOM 862 N ASP A 970 -3.186 -6.304 -8.316 1.00 0.00 N ATOM 863 CA ASP A 970 -4.011 -7.298 -8.981 1.00 0.00 C ATOM 864 C ASP A 970 -3.224 -8.604 -9.110 1.00 0.00 C ATOM 865 O ASP A 970 -3.777 -9.687 -8.926 1.00 0.00 O ATOM 866 CB ASP A 970 -4.400 -6.840 -10.388 1.00 0.00 C ATOM 867 CG ASP A 970 -5.732 -7.388 -10.901 1.00 0.00 C ATOM 868 OD1 ASP A 970 -5.816 -8.626 -11.052 1.00 0.00 O ATOM 869 OD2 ASP A 970 -6.637 -6.557 -11.132 1.00 0.00 O ATOM 0 H ASP A 970 -3.144 -5.400 -8.787 1.00 0.00 H new ATOM 0 HA ASP A 970 -4.913 -7.440 -8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -4.444 -5.751 -10.400 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -3.612 -7.135 -11.081 1.00 0.00 H new ATOM 874 N GLU A 971 -1.945 -8.459 -9.425 1.00 0.00 N ATOM 875 CA GLU A 971 -1.077 -9.613 -9.581 1.00 0.00 C ATOM 876 C GLU A 971 -0.768 -10.233 -8.217 1.00 0.00 C ATOM 877 O GLU A 971 -0.416 -11.409 -8.131 1.00 0.00 O ATOM 878 CB GLU A 971 0.211 -9.235 -10.316 1.00 0.00 C ATOM 879 CG GLU A 971 0.654 -10.357 -11.257 1.00 0.00 C ATOM 880 CD GLU A 971 1.534 -9.812 -12.384 1.00 0.00 C ATOM 881 OE1 GLU A 971 1.040 -8.920 -13.108 1.00 0.00 O ATOM 882 OE2 GLU A 971 2.679 -10.299 -12.497 1.00 0.00 O ATOM 0 H GLU A 971 -1.489 -7.559 -9.576 1.00 0.00 H new ATOM 0 HA GLU A 971 -1.597 -10.355 -10.186 1.00 0.00 H new ATOM 0 HB2 GLU A 971 0.054 -8.319 -10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 971 1.000 -9.029 -9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 971 1.203 -11.112 -10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -0.222 -10.849 -11.680 1.00 0.00 H new ATOM 889 N SER A 972 -0.910 -9.414 -7.185 1.00 0.00 N ATOM 890 CA SER A 972 -0.651 -9.868 -5.829 1.00 0.00 C ATOM 891 C SER A 972 -1.911 -10.505 -5.240 1.00 0.00 C ATOM 892 O SER A 972 -1.842 -11.210 -4.235 1.00 0.00 O ATOM 893 CB SER A 972 -0.176 -8.713 -4.944 1.00 0.00 C ATOM 894 OG SER A 972 0.948 -9.078 -4.147 1.00 0.00 O ATOM 0 H SER A 972 -1.201 -8.439 -7.260 1.00 0.00 H new ATOM 0 HA SER A 972 0.142 -10.615 -5.864 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.085 -7.860 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 972 -0.992 -8.394 -4.296 1.00 0.00 H new ATOM 0 HG SER A 972 1.123 -8.375 -3.487 1.00 0.00 H new ATOM 900 N LEU A 973 -3.032 -10.234 -5.892 1.00 0.00 N ATOM 901 CA LEU A 973 -4.306 -10.772 -5.445 1.00 0.00 C ATOM 902 C LEU A 973 -4.194 -12.292 -5.313 1.00 0.00 C ATOM 903 O LEU A 973 -4.511 -12.853 -4.265 1.00 0.00 O ATOM 904 CB LEU A 973 -5.435 -10.317 -6.372 1.00 0.00 C ATOM 905 CG LEU A 973 -6.607 -9.600 -5.699 1.00 0.00 C ATOM 906 CD1 LEU A 973 -7.924 -9.916 -6.410 1.00 0.00 C ATOM 907 CD2 LEU A 973 -6.668 -9.931 -4.206 1.00 0.00 C ATOM 0 H LEU A 973 -3.085 -9.649 -6.726 1.00 0.00 H new ATOM 0 HA LEU A 973 -4.559 -10.383 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -5.013 -9.653 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -5.822 -11.191 -6.897 1.00 0.00 H new ATOM 0 HG LEU A 973 -6.445 -8.526 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -8.741 -9.394 -5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -7.864 -9.589 -7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -8.106 -10.990 -6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -7.510 -9.409 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -6.795 -11.006 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -5.742 -9.615 -3.725 1.00 0.00 H new ATOM 919 N PRO A 974 -3.730 -12.933 -6.419 1.00 0.00 N ATOM 920 CA PRO A 974 -3.572 -14.377 -6.437 1.00 0.00 C ATOM 921 C PRO A 974 -2.343 -14.805 -5.632 1.00 0.00 C ATOM 922 O PRO A 974 -2.354 -15.851 -4.986 1.00 0.00 O ATOM 923 CB PRO A 974 -3.475 -14.744 -7.909 1.00 0.00 C ATOM 924 CG PRO A 974 -3.115 -13.458 -8.636 1.00 0.00 C ATOM 925 CD PRO A 974 -3.344 -12.301 -7.678 1.00 0.00 C ATOM 0 HA PRO A 974 -4.405 -14.897 -5.964 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -2.717 -15.510 -8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.419 -15.148 -8.274 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -2.076 -13.483 -8.963 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -3.728 -13.340 -9.530 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -2.442 -11.701 -7.559 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.125 -11.634 -8.042 1.00 0.00 H new ATOM 933 N VAL A 975 -1.314 -13.973 -5.697 1.00 0.00 N ATOM 934 CA VAL A 975 -0.080 -14.252 -4.982 1.00 0.00 C ATOM 935 C VAL A 975 -0.407 -14.621 -3.534 1.00 0.00 C ATOM 936 O VAL A 975 0.322 -15.386 -2.905 1.00 0.00 O ATOM 937 CB VAL A 975 0.871 -13.059 -5.095 1.00 0.00 C ATOM 938 CG1 VAL A 975 2.076 -13.229 -4.168 1.00 0.00 C ATOM 939 CG2 VAL A 975 1.318 -12.849 -6.543 1.00 0.00 C ATOM 0 H VAL A 975 -1.309 -13.106 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 975 0.435 -15.104 -5.426 1.00 0.00 H new ATOM 0 HB VAL A 975 0.329 -12.167 -4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 975 2.736 -12.367 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.733 -13.306 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 975 2.618 -14.135 -4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 975 1.993 -11.995 -6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 975 1.834 -13.741 -6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.446 -12.661 -7.169 1.00 0.00 H new ATOM 949 N LEU A 976 -1.504 -14.059 -3.047 1.00 0.00 N ATOM 950 CA LEU A 976 -1.937 -14.319 -1.685 1.00 0.00 C ATOM 951 C LEU A 976 -3.202 -15.179 -1.711 1.00 0.00 C ATOM 952 O LEU A 976 -3.851 -15.303 -2.749 1.00 0.00 O ATOM 953 CB LEU A 976 -2.101 -13.007 -0.915 1.00 0.00 C ATOM 954 CG LEU A 976 -0.816 -12.388 -0.362 1.00 0.00 C ATOM 955 CD1 LEU A 976 -0.549 -12.864 1.067 1.00 0.00 C ATOM 956 CD2 LEU A 976 0.369 -12.666 -1.289 1.00 0.00 C ATOM 0 H LEU A 976 -2.106 -13.424 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 976 -1.178 -14.885 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -2.577 -12.280 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.784 -13.180 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 976 -0.947 -11.307 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 976 0.370 -12.409 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -1.381 -12.573 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -0.446 -13.949 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 976 1.270 -12.215 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 976 0.512 -13.742 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 976 0.170 -12.239 -2.272 1.00 0.00 H new ATOM 968 N PRO A 977 -3.523 -15.767 -0.527 1.00 0.00 N ATOM 969 CA PRO A 977 -4.698 -16.612 -0.405 1.00 0.00 C ATOM 970 C PRO A 977 -5.977 -15.771 -0.374 1.00 0.00 C ATOM 971 O PRO A 977 -5.924 -14.550 -0.513 1.00 0.00 O ATOM 972 CB PRO A 977 -4.480 -17.408 0.871 1.00 0.00 C ATOM 973 CG PRO A 977 -3.422 -16.652 1.658 1.00 0.00 C ATOM 974 CD PRO A 977 -2.777 -15.643 0.722 1.00 0.00 C ATOM 0 HA PRO A 977 -4.827 -17.279 -1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -5.405 -17.493 1.441 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -4.150 -18.422 0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -3.871 -16.147 2.513 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -2.674 -17.341 2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -2.843 -14.632 1.124 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -1.719 -15.859 0.575 1.00 0.00 H new ATOM 982 N ALA A 978 -7.094 -16.459 -0.192 1.00 0.00 N ATOM 983 CA ALA A 978 -8.384 -15.791 -0.141 1.00 0.00 C ATOM 984 C ALA A 978 -8.628 -15.270 1.277 1.00 0.00 C ATOM 985 O ALA A 978 -9.716 -15.437 1.825 1.00 0.00 O ATOM 986 CB ALA A 978 -9.477 -16.756 -0.604 1.00 0.00 C ATOM 0 H ALA A 978 -7.133 -17.472 -0.078 1.00 0.00 H new ATOM 0 HA ALA A 978 -8.399 -14.934 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -10.444 -16.255 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -9.273 -17.073 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -9.494 -17.628 0.050 1.00 0.00 H new ATOM 992 N SER A 979 -7.596 -14.649 1.831 1.00 0.00 N ATOM 993 CA SER A 979 -7.685 -14.103 3.174 1.00 0.00 C ATOM 994 C SER A 979 -7.247 -12.637 3.173 1.00 0.00 C ATOM 995 O SER A 979 -7.208 -11.996 4.222 1.00 0.00 O ATOM 996 CB SER A 979 -6.833 -14.911 4.155 1.00 0.00 C ATOM 997 OG SER A 979 -7.552 -15.241 5.340 1.00 0.00 O ATOM 0 H SER A 979 -6.695 -14.512 1.374 1.00 0.00 H new ATOM 0 HA SER A 979 -8.723 -14.165 3.500 1.00 0.00 H new ATOM 0 HB2 SER A 979 -6.492 -15.826 3.671 1.00 0.00 H new ATOM 0 HB3 SER A 979 -5.943 -14.339 4.418 1.00 0.00 H new ATOM 0 HG SER A 979 -6.928 -15.307 6.093 1.00 0.00 H new ATOM 1003 N THR A 980 -6.927 -12.149 1.983 1.00 0.00 N ATOM 1004 CA THR A 980 -6.492 -10.771 1.832 1.00 0.00 C ATOM 1005 C THR A 980 -7.491 -9.988 0.977 1.00 0.00 C ATOM 1006 O THR A 980 -7.648 -8.780 1.149 1.00 0.00 O ATOM 1007 CB THR A 980 -5.076 -10.783 1.254 1.00 0.00 C ATOM 1008 OG1 THR A 980 -5.273 -10.657 -0.152 1.00 0.00 O ATOM 1009 CG2 THR A 980 -4.389 -12.141 1.414 1.00 0.00 C ATOM 0 H THR A 980 -6.960 -12.683 1.115 1.00 0.00 H new ATOM 0 HA THR A 980 -6.462 -10.258 2.793 1.00 0.00 H new ATOM 0 HB THR A 980 -4.478 -10.014 1.744 1.00 0.00 H new ATOM 0 HG1 THR A 980 -4.428 -10.830 -0.617 1.00 0.00 H new ATOM 0 HG21 THR A 980 -3.387 -12.094 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 980 -4.321 -12.392 2.473 1.00 0.00 H new ATOM 0 HG23 THR A 980 -4.969 -12.905 0.896 1.00 0.00 H new ATOM 1017 N HIS A 981 -8.140 -10.708 0.074 1.00 0.00 N ATOM 1018 CA HIS A 981 -9.119 -10.096 -0.808 1.00 0.00 C ATOM 1019 C HIS A 981 -10.033 -9.174 0.001 1.00 0.00 C ATOM 1020 O HIS A 981 -10.519 -8.168 -0.513 1.00 0.00 O ATOM 1021 CB HIS A 981 -9.891 -11.163 -1.587 1.00 0.00 C ATOM 1022 CG HIS A 981 -9.010 -12.140 -2.328 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -7.660 -12.156 -2.519 1.00 0.00 N flip ATOM 1024 CD2 HIS A 981 -9.509 -13.258 -2.973 1.00 0.00 C flip ATOM 1025 CE1 HIS A 981 -7.350 -13.225 -3.241 1.00 0.00 C flip ATOM 1026 NE2 HIS A 981 -8.495 -13.910 -3.524 1.00 0.00 N flip ATOM 0 H HIS A 981 -8.007 -11.710 -0.066 1.00 0.00 H new ATOM 0 HA HIS A 981 -8.610 -9.483 -1.552 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -10.526 -11.715 -0.895 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -10.551 -10.671 -2.301 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -10.548 -13.550 -3.020 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -6.355 -13.506 -3.553 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -8.560 -14.772 -4.065 1.00 0.00 H new ATOM 1034 N ARG A 982 -10.241 -9.551 1.254 1.00 0.00 N ATOM 1035 CA ARG A 982 -11.089 -8.771 2.140 1.00 0.00 C ATOM 1036 C ARG A 982 -10.319 -7.567 2.686 1.00 0.00 C ATOM 1037 O ARG A 982 -10.589 -6.429 2.305 1.00 0.00 O ATOM 1038 CB ARG A 982 -11.592 -9.620 3.309 1.00 0.00 C ATOM 1039 CG ARG A 982 -13.120 -9.602 3.382 1.00 0.00 C ATOM 1040 CD ARG A 982 -13.598 -9.108 4.750 1.00 0.00 C ATOM 1041 NE ARG A 982 -15.050 -9.352 4.896 1.00 0.00 N ATOM 1042 CZ ARG A 982 -15.591 -10.557 5.119 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -14.803 -11.636 5.223 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -16.920 -10.683 5.239 1.00 0.00 N ATOM 0 H ARG A 982 -9.837 -10.387 1.677 1.00 0.00 H new ATOM 0 HA ARG A 982 -11.946 -8.426 1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -11.242 -10.646 3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -11.175 -9.243 4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -13.517 -8.956 2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -13.508 -10.604 3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -13.053 -9.621 5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -13.387 -8.044 4.856 1.00 0.00 H new ATOM 0 HE ARG A 982 -15.679 -8.552 4.822 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -13.792 -11.540 5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -15.215 -12.554 5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -17.519 -9.861 5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -17.332 -11.601 5.409 1.00 0.00 H new ATOM 1058 N GLU A 983 -9.377 -7.858 3.570 1.00 0.00 N ATOM 1059 CA GLU A 983 -8.566 -6.814 4.172 1.00 0.00 C ATOM 1060 C GLU A 983 -7.978 -5.907 3.089 1.00 0.00 C ATOM 1061 O GLU A 983 -7.987 -4.685 3.225 1.00 0.00 O ATOM 1062 CB GLU A 983 -7.462 -7.411 5.046 1.00 0.00 C ATOM 1063 CG GLU A 983 -7.617 -6.969 6.503 1.00 0.00 C ATOM 1064 CD GLU A 983 -7.713 -8.179 7.435 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -7.069 -9.199 7.110 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -8.429 -8.055 8.453 1.00 0.00 O ATOM 0 H GLU A 983 -9.157 -8.803 3.884 1.00 0.00 H new ATOM 0 HA GLU A 983 -9.206 -6.211 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -7.495 -8.499 4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -6.487 -7.100 4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -6.768 -6.350 6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -8.510 -6.353 6.607 1.00 0.00 H new ATOM 1073 N ILE A 984 -7.480 -6.541 2.038 1.00 0.00 N ATOM 1074 CA ILE A 984 -6.889 -5.808 0.932 1.00 0.00 C ATOM 1075 C ILE A 984 -7.949 -4.903 0.300 1.00 0.00 C ATOM 1076 O ILE A 984 -7.645 -3.793 -0.133 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.232 -6.770 -0.060 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -5.108 -7.563 0.609 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -5.747 -6.027 -1.306 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -4.265 -8.304 -0.432 1.00 0.00 C ATOM 0 H ILE A 984 -7.474 -7.555 1.929 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.089 -5.161 1.290 1.00 0.00 H new ATOM 0 HB ILE A 984 -6.983 -7.489 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -4.473 -6.888 1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -5.532 -8.278 1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -5.284 -6.734 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -6.594 -5.546 -1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -5.017 -5.271 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -3.473 -8.860 0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -4.898 -8.996 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -3.823 -7.584 -1.121 1.00 0.00 H new ATOM 1092 N GLU A 985 -9.172 -5.412 0.269 1.00 0.00 N ATOM 1093 CA GLU A 985 -10.279 -4.664 -0.302 1.00 0.00 C ATOM 1094 C GLU A 985 -10.531 -3.389 0.506 1.00 0.00 C ATOM 1095 O GLU A 985 -10.687 -2.310 -0.064 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.542 -5.524 -0.376 1.00 0.00 C ATOM 1097 CG GLU A 985 -11.787 -6.017 -1.804 1.00 0.00 C ATOM 1098 CD GLU A 985 -13.020 -5.346 -2.412 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -14.121 -5.908 -2.227 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -12.834 -4.286 -3.048 1.00 0.00 O ATOM 0 H GLU A 985 -9.420 -6.333 0.630 1.00 0.00 H new ATOM 0 HA GLU A 985 -10.013 -4.380 -1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -11.445 -6.377 0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -12.401 -4.946 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -10.913 -5.806 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -11.922 -7.099 -1.801 1.00 0.00 H new ATOM 1107 N MET A 986 -10.564 -3.556 1.820 1.00 0.00 N ATOM 1108 CA MET A 986 -10.794 -2.432 2.711 1.00 0.00 C ATOM 1109 C MET A 986 -9.547 -1.552 2.818 1.00 0.00 C ATOM 1110 O MET A 986 -9.639 -0.378 3.173 1.00 0.00 O ATOM 1111 CB MET A 986 -11.174 -2.951 4.099 1.00 0.00 C ATOM 1112 CG MET A 986 -12.693 -2.967 4.282 1.00 0.00 C ATOM 1113 SD MET A 986 -13.180 -4.405 5.221 1.00 0.00 S ATOM 1114 CE MET A 986 -13.273 -5.614 3.912 1.00 0.00 C ATOM 0 H MET A 986 -10.435 -4.453 2.289 1.00 0.00 H new ATOM 0 HA MET A 986 -11.606 -1.830 2.303 1.00 0.00 H new ATOM 0 HB2 MET A 986 -10.777 -3.957 4.236 1.00 0.00 H new ATOM 0 HB3 MET A 986 -10.719 -2.322 4.864 1.00 0.00 H new ATOM 0 HG2 MET A 986 -13.015 -2.061 4.795 1.00 0.00 H new ATOM 0 HG3 MET A 986 -13.185 -2.974 3.309 1.00 0.00 H new ATOM 0 HE1 MET A 986 -14.211 -6.164 3.991 1.00 0.00 H new ATOM 0 HE2 MET A 986 -13.228 -5.109 2.947 1.00 0.00 H new ATOM 0 HE3 MET A 986 -12.437 -6.308 3.998 1.00 0.00 H new ATOM 1124 N ALA A 987 -8.409 -2.154 2.506 1.00 0.00 N ATOM 1125 CA ALA A 987 -7.144 -1.441 2.562 1.00 0.00 C ATOM 1126 C ALA A 987 -6.963 -0.631 1.277 1.00 0.00 C ATOM 1127 O ALA A 987 -6.245 0.368 1.265 1.00 0.00 O ATOM 1128 CB ALA A 987 -6.005 -2.437 2.790 1.00 0.00 C ATOM 0 H ALA A 987 -8.336 -3.128 2.213 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.135 -0.740 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.056 -1.902 2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -6.166 -2.965 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -5.980 -3.155 1.971 1.00 0.00 H new ATOM 1134 N GLN A 988 -7.625 -1.092 0.226 1.00 0.00 N ATOM 1135 CA GLN A 988 -7.545 -0.423 -1.061 1.00 0.00 C ATOM 1136 C GLN A 988 -8.507 0.766 -1.101 1.00 0.00 C ATOM 1137 O GLN A 988 -8.130 1.860 -1.519 1.00 0.00 O ATOM 1138 CB GLN A 988 -7.831 -1.398 -2.204 1.00 0.00 C ATOM 1139 CG GLN A 988 -6.569 -2.167 -2.598 1.00 0.00 C ATOM 1140 CD GLN A 988 -6.263 -1.994 -4.087 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -5.220 -1.499 -4.480 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -7.229 -2.429 -4.892 1.00 0.00 N ATOM 0 H GLN A 988 -8.219 -1.921 0.240 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.530 -0.049 -1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -8.609 -2.099 -1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -8.212 -0.851 -3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -5.724 -1.814 -2.006 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -6.698 -3.225 -2.370 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -8.078 -2.834 -4.497 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -7.120 -2.358 -5.904 1.00 0.00 H new ATOM 1151 N LYS A 989 -9.731 0.512 -0.661 1.00 0.00 N ATOM 1152 CA LYS A 989 -10.749 1.548 -0.641 1.00 0.00 C ATOM 1153 C LYS A 989 -10.274 2.708 0.236 1.00 0.00 C ATOM 1154 O LYS A 989 -10.521 3.871 -0.079 1.00 0.00 O ATOM 1155 CB LYS A 989 -12.098 0.966 -0.213 1.00 0.00 C ATOM 1156 CG LYS A 989 -13.166 2.058 -0.133 1.00 0.00 C ATOM 1157 CD LYS A 989 -13.824 2.082 1.248 1.00 0.00 C ATOM 1158 CE LYS A 989 -15.199 1.412 1.211 1.00 0.00 C ATOM 1159 NZ LYS A 989 -15.395 0.563 2.408 1.00 0.00 N ATOM 0 H LYS A 989 -10.040 -0.397 -0.316 1.00 0.00 H new ATOM 0 HA LYS A 989 -10.904 1.948 -1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -12.409 0.200 -0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -11.997 0.480 0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -12.715 3.028 -0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -13.924 1.887 -0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -13.185 1.571 1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -13.926 3.112 1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -15.979 2.172 1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -15.291 0.806 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -16.333 0.116 2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -14.661 -0.174 2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -15.328 1.149 3.264 1.00 0.00 H new ATOM 1173 N LEU A 990 -9.600 2.351 1.320 1.00 0.00 N ATOM 1174 CA LEU A 990 -9.088 3.348 2.244 1.00 0.00 C ATOM 1175 C LEU A 990 -8.060 4.225 1.525 1.00 0.00 C ATOM 1176 O LEU A 990 -8.133 5.451 1.588 1.00 0.00 O ATOM 1177 CB LEU A 990 -8.546 2.678 3.509 1.00 0.00 C ATOM 1178 CG LEU A 990 -8.869 3.379 4.830 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -8.370 2.559 6.021 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -8.317 4.805 4.844 1.00 0.00 C ATOM 0 H LEU A 990 -9.397 1.385 1.579 1.00 0.00 H new ATOM 0 HA LEU A 990 -9.891 4.005 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -8.938 1.662 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -7.463 2.598 3.418 1.00 0.00 H new ATOM 0 HG LEU A 990 -9.953 3.453 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -8.612 3.079 6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -8.852 1.581 6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -7.290 2.431 5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -8.561 5.280 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -7.235 4.777 4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -8.762 5.375 4.029 1.00 0.00 H new ATOM 1192 N LEU A 991 -7.127 3.561 0.858 1.00 0.00 N ATOM 1193 CA LEU A 991 -6.087 4.265 0.128 1.00 0.00 C ATOM 1194 C LEU A 991 -6.732 5.222 -0.877 1.00 0.00 C ATOM 1195 O LEU A 991 -6.653 6.439 -0.719 1.00 0.00 O ATOM 1196 CB LEU A 991 -5.113 3.271 -0.509 1.00 0.00 C ATOM 1197 CG LEU A 991 -3.862 3.874 -1.149 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -2.937 4.473 -0.088 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -3.142 2.844 -2.022 1.00 0.00 C ATOM 0 H LEU A 991 -7.070 2.544 0.808 1.00 0.00 H new ATOM 0 HA LEU A 991 -5.489 4.872 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -4.799 2.560 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -5.649 2.705 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 991 -4.172 4.689 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -2.055 4.895 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -3.465 5.258 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -2.631 3.694 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -2.256 3.299 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -2.845 1.992 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -3.811 2.507 -2.813 1.00 0.00 H new ATOM 1211 N ASN A 992 -7.357 4.635 -1.887 1.00 0.00 N ATOM 1212 CA ASN A 992 -8.015 5.421 -2.917 1.00 0.00 C ATOM 1213 C ASN A 992 -8.741 6.600 -2.267 1.00 0.00 C ATOM 1214 O ASN A 992 -8.602 7.740 -2.709 1.00 0.00 O ATOM 1215 CB ASN A 992 -9.052 4.584 -3.669 1.00 0.00 C ATOM 1216 CG ASN A 992 -9.700 5.395 -4.794 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -9.040 5.914 -5.678 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -11.025 5.473 -4.710 1.00 0.00 N ATOM 0 H ASN A 992 -7.422 3.625 -2.014 1.00 0.00 H new ATOM 0 HA ASN A 992 -7.253 5.766 -3.616 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -8.576 3.696 -4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -9.819 4.240 -2.975 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -11.551 5.992 -5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -11.515 5.014 -3.942 1.00 0.00 H new ATOM 1225 N SER A 993 -9.501 6.286 -1.227 1.00 0.00 N ATOM 1226 CA SER A 993 -10.249 7.306 -0.512 1.00 0.00 C ATOM 1227 C SER A 993 -9.317 8.448 -0.103 1.00 0.00 C ATOM 1228 O SER A 993 -9.380 9.539 -0.669 1.00 0.00 O ATOM 1229 CB SER A 993 -10.940 6.719 0.720 1.00 0.00 C ATOM 1230 OG SER A 993 -12.325 6.476 0.489 1.00 0.00 O ATOM 0 H SER A 993 -9.614 5.340 -0.863 1.00 0.00 H new ATOM 0 HA SER A 993 -11.020 7.695 -1.178 1.00 0.00 H new ATOM 0 HB2 SER A 993 -10.450 5.787 1.001 1.00 0.00 H new ATOM 0 HB3 SER A 993 -10.827 7.404 1.560 1.00 0.00 H new ATOM 0 HG SER A 993 -12.731 6.100 1.298 1.00 0.00 H new ATOM 1236 N ASP A 994 -8.472 8.159 0.876 1.00 0.00 N ATOM 1237 CA ASP A 994 -7.529 9.149 1.367 1.00 0.00 C ATOM 1238 C ASP A 994 -6.741 9.725 0.189 1.00 0.00 C ATOM 1239 O ASP A 994 -6.191 10.821 0.282 1.00 0.00 O ATOM 1240 CB ASP A 994 -6.530 8.522 2.342 1.00 0.00 C ATOM 1241 CG ASP A 994 -6.999 8.460 3.797 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -6.781 9.465 4.507 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -7.565 7.408 4.167 1.00 0.00 O ATOM 0 H ASP A 994 -8.421 7.253 1.342 1.00 0.00 H new ATOM 0 HA ASP A 994 -8.094 9.927 1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -6.303 7.510 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -5.600 9.088 2.300 1.00 0.00 H new ATOM 1248 N LEU A 995 -6.711 8.959 -0.892 1.00 0.00 N ATOM 1249 CA LEU A 995 -6.000 9.380 -2.087 1.00 0.00 C ATOM 1250 C LEU A 995 -6.726 10.571 -2.716 1.00 0.00 C ATOM 1251 O LEU A 995 -6.178 11.670 -2.786 1.00 0.00 O ATOM 1252 CB LEU A 995 -5.814 8.199 -3.043 1.00 0.00 C ATOM 1253 CG LEU A 995 -6.134 8.471 -4.514 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -5.379 9.700 -5.022 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -5.859 7.234 -5.372 1.00 0.00 C ATOM 0 H LEU A 995 -7.167 8.050 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 995 -4.995 9.717 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -4.780 7.860 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -6.443 7.377 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 995 -7.198 8.691 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -5.625 9.870 -6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -5.667 10.572 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -4.306 9.535 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -6.095 7.454 -6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -4.808 6.959 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -6.479 6.407 -5.027 1.00 0.00 H new ATOM 1267 N ALA A 996 -7.949 10.312 -3.157 1.00 0.00 N ATOM 1268 CA ALA A 996 -8.755 11.350 -3.777 1.00 0.00 C ATOM 1269 C ALA A 996 -8.738 12.599 -2.894 1.00 0.00 C ATOM 1270 O ALA A 996 -8.396 13.686 -3.357 1.00 0.00 O ATOM 1271 CB ALA A 996 -10.172 10.822 -4.012 1.00 0.00 C ATOM 0 H ALA A 996 -8.401 9.399 -3.097 1.00 0.00 H new ATOM 0 HA ALA A 996 -8.344 11.627 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -10.778 11.600 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -10.132 9.952 -4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -10.617 10.537 -3.059 1.00 0.00 H new ATOM 1277 N GLU A 997 -9.111 12.403 -1.638 1.00 0.00 N ATOM 1278 CA GLU A 997 -9.142 13.500 -0.686 1.00 0.00 C ATOM 1279 C GLU A 997 -7.812 14.257 -0.704 1.00 0.00 C ATOM 1280 O GLU A 997 -7.788 15.480 -0.577 1.00 0.00 O ATOM 1281 CB GLU A 997 -9.467 12.996 0.722 1.00 0.00 C ATOM 1282 CG GLU A 997 -9.958 14.138 1.613 1.00 0.00 C ATOM 1283 CD GLU A 997 -11.440 14.429 1.364 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -11.714 15.221 0.437 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -12.264 13.854 2.107 1.00 0.00 O ATOM 0 H GLU A 997 -9.394 11.500 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.934 14.189 -0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -10.230 12.219 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -8.580 12.541 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -9.806 13.878 2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -9.370 15.035 1.418 1.00 0.00 H new ATOM 1292 N LEU A 998 -6.738 13.498 -0.863 1.00 0.00 N ATOM 1293 CA LEU A 998 -5.408 14.081 -0.900 1.00 0.00 C ATOM 1294 C LEU A 998 -5.256 14.915 -2.174 1.00 0.00 C ATOM 1295 O LEU A 998 -4.755 16.037 -2.130 1.00 0.00 O ATOM 1296 CB LEU A 998 -4.342 12.995 -0.745 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.897 13.485 -0.632 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -2.042 12.493 0.159 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -2.307 13.775 -2.014 1.00 0.00 C ATOM 0 H LEU A 998 -6.762 12.484 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 998 -5.265 14.757 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -4.576 12.408 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -4.411 12.322 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 998 -2.897 14.424 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -1.020 12.865 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -2.452 12.379 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -2.045 11.527 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -1.279 14.122 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -2.322 12.865 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -2.899 14.545 -2.508 1.00 0.00 H new ATOM 1311 N ILE A 999 -5.698 14.333 -3.279 1.00 0.00 N ATOM 1312 CA ILE A 999 -5.618 15.008 -4.563 1.00 0.00 C ATOM 1313 C ILE A 999 -6.312 16.368 -4.464 1.00 0.00 C ATOM 1314 O ILE A 999 -5.728 17.393 -4.811 1.00 0.00 O ATOM 1315 CB ILE A 999 -6.172 14.114 -5.674 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -5.357 12.825 -5.799 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -6.252 14.872 -7.001 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -3.912 13.127 -6.201 1.00 0.00 C ATOM 0 H ILE A 999 -6.113 13.402 -3.312 1.00 0.00 H new ATOM 0 HA ILE A 999 -4.578 15.199 -4.828 1.00 0.00 H new ATOM 0 HB ILE A 999 -7.189 13.828 -5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -5.370 12.289 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -5.816 12.171 -6.541 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -6.649 14.213 -7.773 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -6.908 15.735 -6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -5.256 15.209 -7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -3.355 12.194 -6.283 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -3.902 13.641 -7.162 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -3.449 13.761 -5.445 1.00 0.00 H new ATOM 1330 N ASN A1000 -7.548 16.332 -3.990 1.00 0.00 N ATOM 1331 CA ASN A1000 -8.328 17.549 -3.841 1.00 0.00 C ATOM 1332 C ASN A1000 -7.606 18.498 -2.883 1.00 0.00 C ATOM 1333 O ASN A1000 -7.608 19.711 -3.086 1.00 0.00 O ATOM 1334 CB ASN A1000 -9.710 17.249 -3.257 1.00 0.00 C ATOM 1335 CG ASN A1000 -10.696 18.375 -3.574 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -10.322 19.476 -3.944 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -11.972 18.040 -3.411 1.00 0.00 N ATOM 0 H ASN A1000 -8.029 15.479 -3.704 1.00 0.00 H new ATOM 0 HA ASN A1000 -8.443 17.999 -4.827 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -10.084 16.309 -3.663 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -9.633 17.122 -2.177 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -12.706 18.723 -3.598 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -12.217 17.100 -3.098 1.00 0.00 H new ATOM 1344 N LYS A1001 -7.005 17.910 -1.859 1.00 0.00 N ATOM 1345 CA LYS A1001 -6.281 18.689 -0.869 1.00 0.00 C ATOM 1346 C LYS A1001 -5.188 19.502 -1.566 1.00 0.00 C ATOM 1347 O LYS A1001 -5.029 20.692 -1.298 1.00 0.00 O ATOM 1348 CB LYS A1001 -5.756 17.782 0.247 1.00 0.00 C ATOM 1349 CG LYS A1001 -6.188 18.298 1.621 1.00 0.00 C ATOM 1350 CD LYS A1001 -7.371 17.493 2.162 1.00 0.00 C ATOM 1351 CE LYS A1001 -8.614 18.373 2.304 1.00 0.00 C ATOM 1352 NZ LYS A1001 -8.476 19.282 3.463 1.00 0.00 N ATOM 0 H LYS A1001 -7.005 16.904 -1.694 1.00 0.00 H new ATOM 0 HA LYS A1001 -6.948 19.401 -0.383 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -6.128 16.768 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -4.668 17.732 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -5.351 18.234 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -6.462 19.350 1.548 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -7.585 16.660 1.492 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -7.112 17.065 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -8.761 18.954 1.394 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -9.498 17.747 2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -9.328 19.872 3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -8.358 18.722 4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -7.644 19.892 3.329 1.00 0.00 H new ATOM 1366 N MET A1002 -4.463 18.827 -2.445 1.00 0.00 N ATOM 1367 CA MET A1002 -3.390 19.471 -3.183 1.00 0.00 C ATOM 1368 C MET A1002 -3.946 20.461 -4.209 1.00 0.00 C ATOM 1369 O MET A1002 -3.253 21.389 -4.622 1.00 0.00 O ATOM 1370 CB MET A1002 -2.553 18.410 -3.899 1.00 0.00 C ATOM 1371 CG MET A1002 -2.918 18.332 -5.383 1.00 0.00 C ATOM 1372 SD MET A1002 -1.998 19.554 -6.303 1.00 0.00 S ATOM 1373 CE MET A1002 -2.968 19.610 -7.800 1.00 0.00 C ATOM 0 H MET A1002 -4.598 17.840 -2.663 1.00 0.00 H new ATOM 0 HA MET A1002 -2.768 20.020 -2.476 1.00 0.00 H new ATOM 0 HB2 MET A1002 -1.494 18.645 -3.793 1.00 0.00 H new ATOM 0 HB3 MET A1002 -2.712 17.439 -3.430 1.00 0.00 H new ATOM 0 HG2 MET A1002 -2.700 17.336 -5.768 1.00 0.00 H new ATOM 0 HG3 MET A1002 -3.988 18.497 -5.512 1.00 0.00 H new ATOM 0 HE1 MET A1002 -2.327 19.401 -8.657 1.00 0.00 H new ATOM 0 HE2 MET A1002 -3.760 18.863 -7.749 1.00 0.00 H new ATOM 0 HE3 MET A1002 -3.410 20.600 -7.910 1.00 0.00 H new ATOM 1383 N LYS A1003 -5.194 20.228 -4.591 1.00 0.00 N ATOM 1384 CA LYS A1003 -5.852 21.087 -5.561 1.00 0.00 C ATOM 1385 C LYS A1003 -6.098 22.461 -4.934 1.00 0.00 C ATOM 1386 O LYS A1003 -5.924 23.487 -5.591 1.00 0.00 O ATOM 1387 CB LYS A1003 -7.120 20.419 -6.095 1.00 0.00 C ATOM 1388 CG LYS A1003 -6.775 19.263 -7.037 1.00 0.00 C ATOM 1389 CD LYS A1003 -7.280 19.541 -8.454 1.00 0.00 C ATOM 1390 CE LYS A1003 -8.782 19.274 -8.564 1.00 0.00 C ATOM 1391 NZ LYS A1003 -9.029 17.920 -9.107 1.00 0.00 N ATOM 0 H LYS A1003 -5.766 19.457 -4.246 1.00 0.00 H new ATOM 0 HA LYS A1003 -5.212 21.242 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -7.718 20.049 -5.263 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -7.728 21.154 -6.623 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -5.695 19.113 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -7.219 18.340 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -7.071 20.577 -8.722 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -6.743 18.913 -9.165 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -9.247 19.369 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -9.244 20.021 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -10.054 17.755 -9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -8.602 17.842 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -8.605 17.210 -8.476 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.499 22.437 -3.672 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.771 23.668 -2.949 1.00 0.00 C ATOM 1407 C LEU A1004 -5.450 24.376 -2.641 1.00 0.00 C ATOM 1408 O LEU A1004 -5.273 25.545 -2.983 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.621 23.385 -1.709 1.00 0.00 C ATOM 1410 CG LEU A1004 -8.852 22.504 -1.927 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -9.653 22.352 -0.632 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -9.713 23.038 -3.073 1.00 0.00 C ATOM 0 H LEU A1004 -6.642 21.584 -3.131 1.00 0.00 H new ATOM 0 HA LEU A1004 -7.362 24.348 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -6.988 22.911 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -7.949 24.337 -1.293 1.00 0.00 H new ATOM 0 HG LEU A1004 -8.513 21.509 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -10.523 21.721 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -9.026 21.893 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -9.982 23.333 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -10.581 22.393 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -10.045 24.049 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -9.127 23.053 -3.992 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.556 23.639 -1.999 1.00 0.00 N ATOM 1425 CA ALA A1005 -3.256 24.181 -1.641 1.00 0.00 C ATOM 1426 C ALA A1005 -2.754 25.080 -2.773 1.00 0.00 C ATOM 1427 O ALA A1005 -2.323 26.206 -2.532 1.00 0.00 O ATOM 1428 CB ALA A1005 -2.291 23.034 -1.336 1.00 0.00 C ATOM 0 H ALA A1005 -4.706 22.670 -1.717 1.00 0.00 H new ATOM 0 HA ALA A1005 -3.330 24.793 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -1.316 23.441 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.679 22.443 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -2.190 22.400 -2.217 1.00 0.00 H new ATOM 1434 N GLN A1006 -2.827 24.548 -3.985 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.385 25.288 -5.155 1.00 0.00 C ATOM 1436 C GLN A1006 -2.798 26.757 -5.041 1.00 0.00 C ATOM 1437 O GLN A1006 -1.990 27.653 -5.279 1.00 0.00 O ATOM 1438 CB GLN A1006 -2.934 24.662 -6.438 1.00 0.00 C ATOM 1439 CG GLN A1006 -2.822 25.635 -7.614 1.00 0.00 C ATOM 1440 CD GLN A1006 -2.335 24.918 -8.875 1.00 0.00 C ATOM 1441 OE1 GLN A1006 -2.936 23.969 -9.351 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -1.217 25.424 -9.387 1.00 0.00 N ATOM 0 H GLN A1006 -3.186 23.614 -4.182 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.297 25.240 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -2.386 23.748 -6.664 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -3.977 24.380 -6.292 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -3.792 26.094 -7.804 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -2.133 26.440 -7.360 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -0.765 26.220 -8.938 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -0.811 25.016 -10.229 1.00 0.00 H new ATOM 1451 N GLN A1007 -4.056 26.958 -4.677 1.00 0.00 N ATOM 1452 CA GLN A1007 -4.587 28.303 -4.528 1.00 0.00 C ATOM 1453 C GLN A1007 -4.495 28.752 -3.069 1.00 0.00 C ATOM 1454 O GLN A1007 -4.365 29.942 -2.789 1.00 0.00 O ATOM 1455 CB GLN A1007 -6.027 28.384 -5.037 1.00 0.00 C ATOM 1456 CG GLN A1007 -6.320 29.759 -5.640 1.00 0.00 C ATOM 1457 CD GLN A1007 -7.812 30.086 -5.560 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -8.511 30.164 -6.557 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -8.260 30.274 -4.322 1.00 0.00 N ATOM 0 H GLN A1007 -4.723 26.212 -4.481 1.00 0.00 H new ATOM 0 HA GLN A1007 -3.984 28.979 -5.134 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -6.195 27.611 -5.787 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -6.718 28.188 -4.217 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -5.748 30.521 -5.111 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -5.995 29.781 -6.680 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -7.621 30.194 -3.531 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -9.242 30.498 -4.164 1.00 0.00 H new ATOM 1468 N TYR A1008 -4.565 27.774 -2.177 1.00 0.00 N ATOM 1469 CA TYR A1008 -4.492 28.054 -0.753 1.00 0.00 C ATOM 1470 C TYR A1008 -3.044 28.008 -0.259 1.00 0.00 C ATOM 1471 O TYR A1008 -2.783 27.598 0.870 1.00 0.00 O ATOM 1472 CB TYR A1008 -5.289 26.945 -0.064 1.00 0.00 C ATOM 1473 CG TYR A1008 -6.784 27.242 0.069 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -7.247 27.985 1.135 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -7.668 26.768 -0.878 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -8.654 28.265 1.260 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -9.075 27.048 -0.754 1.00 0.00 C ATOM 1478 CZ TYR A1008 -9.499 27.783 0.309 1.00 0.00 C ATOM 1479 OH TYR A1008 -10.828 28.047 0.427 1.00 0.00 O ATOM 0 H TYR A1008 -4.671 26.787 -2.413 1.00 0.00 H new ATOM 0 HA TYR A1008 -4.885 29.047 -0.536 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -5.162 26.019 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -4.873 26.776 0.929 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -6.554 28.357 1.876 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -7.305 26.187 -1.713 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -9.030 28.845 2.090 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -9.778 26.683 -1.488 1.00 0.00 H new ATOM 0 HH TYR A1008 -11.310 27.641 -0.324 1.00 0.00 H new ATOM 1489 N VAL A1009 -2.142 28.435 -1.130 1.00 0.00 N ATOM 1490 CA VAL A1009 -0.728 28.448 -0.797 1.00 0.00 C ATOM 1491 C VAL A1009 -0.172 29.859 -1.003 1.00 0.00 C ATOM 1492 O VAL A1009 0.413 30.439 -0.089 1.00 0.00 O ATOM 1493 CB VAL A1009 0.013 27.389 -1.616 1.00 0.00 C ATOM 1494 CG1 VAL A1009 -0.097 27.679 -3.114 1.00 0.00 C ATOM 1495 CG2 VAL A1009 1.476 27.285 -1.183 1.00 0.00 C ATOM 0 H VAL A1009 -2.363 28.775 -2.066 1.00 0.00 H new ATOM 0 HA VAL A1009 -0.581 28.190 0.252 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.461 26.426 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A1009 0.438 26.912 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -1.146 27.678 -3.409 1.00 0.00 H new ATOM 0 HG13 VAL A1009 0.339 28.655 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A1009 1.979 26.525 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A1009 1.968 28.247 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A1009 1.525 27.009 -0.130 1.00 0.00 H new ATOM 1505 N MET A1010 -0.375 30.370 -2.208 1.00 0.00 N ATOM 1506 CA MET A1010 0.098 31.702 -2.545 1.00 0.00 C ATOM 1507 C MET A1010 -0.459 32.744 -1.573 1.00 0.00 C ATOM 1508 O MET A1010 0.252 33.663 -1.169 1.00 0.00 O ATOM 1509 CB MET A1010 -0.334 32.052 -3.971 1.00 0.00 C ATOM 1510 CG MET A1010 -1.808 31.709 -4.197 1.00 0.00 C ATOM 1511 SD MET A1010 -2.748 33.202 -4.470 1.00 0.00 S ATOM 1512 CE MET A1010 -4.081 32.946 -3.311 1.00 0.00 C ATOM 0 H MET A1010 -0.861 29.886 -2.963 1.00 0.00 H new ATOM 0 HA MET A1010 1.186 31.710 -2.473 1.00 0.00 H new ATOM 0 HB2 MET A1010 -0.172 33.114 -4.154 1.00 0.00 H new ATOM 0 HB3 MET A1010 0.283 31.508 -4.686 1.00 0.00 H new ATOM 0 HG2 MET A1010 -1.908 31.045 -5.055 1.00 0.00 H new ATOM 0 HG3 MET A1010 -2.202 31.174 -3.333 1.00 0.00 H new ATOM 0 HE1 MET A1010 -4.273 33.871 -2.767 1.00 0.00 H new ATOM 0 HE2 MET A1010 -4.980 32.649 -3.851 1.00 0.00 H new ATOM 0 HE3 MET A1010 -3.805 32.161 -2.607 1.00 0.00 H new ATOM 1522 N THR A1011 -1.725 32.566 -1.225 1.00 0.00 N ATOM 1523 CA THR A1011 -2.384 33.479 -0.308 1.00 0.00 C ATOM 1524 C THR A1011 -1.525 33.696 0.939 1.00 0.00 C ATOM 1525 O THR A1011 -0.933 34.761 1.112 1.00 0.00 O ATOM 1526 CB THR A1011 -3.773 32.917 0.002 1.00 0.00 C ATOM 1527 OG1 THR A1011 -4.061 33.404 1.311 1.00 0.00 O ATOM 1528 CG2 THR A1011 -3.766 31.395 0.164 1.00 0.00 C ATOM 0 H THR A1011 -2.312 31.803 -1.562 1.00 0.00 H new ATOM 0 HA THR A1011 -2.508 34.466 -0.754 1.00 0.00 H new ATOM 0 HB THR A1011 -4.463 33.194 -0.795 1.00 0.00 H new ATOM 0 HG1 THR A1011 -4.946 33.088 1.590 1.00 0.00 H new ATOM 0 HG21 THR A1011 -4.776 31.048 0.383 1.00 0.00 H new ATOM 0 HG22 THR A1011 -3.415 30.933 -0.759 1.00 0.00 H new ATOM 0 HG23 THR A1011 -3.102 31.119 0.983 1.00 0.00 H new ATOM 1536 N SER A1012 -1.482 32.670 1.776 1.00 0.00 N ATOM 1537 CA SER A1012 -0.704 32.735 3.001 1.00 0.00 C ATOM 1538 C SER A1012 -0.903 31.455 3.816 1.00 0.00 C ATOM 1539 O SER A1012 0.018 30.993 4.487 1.00 0.00 O ATOM 1540 CB SER A1012 -1.090 33.959 3.834 1.00 0.00 C ATOM 1541 OG SER A1012 -0.463 33.954 5.113 1.00 0.00 O ATOM 0 H SER A1012 -1.974 31.788 1.630 1.00 0.00 H new ATOM 0 HA SER A1012 0.348 32.828 2.733 1.00 0.00 H new ATOM 0 HB2 SER A1012 -0.811 34.866 3.297 1.00 0.00 H new ATOM 0 HB3 SER A1012 -2.172 33.984 3.961 1.00 0.00 H new ATOM 0 HG SER A1012 -0.734 34.752 5.613 1.00 0.00 H new ATOM 1547 N LEU A1013 -2.112 30.919 3.731 1.00 0.00 N ATOM 1548 CA LEU A1013 -2.444 29.702 4.452 1.00 0.00 C ATOM 1549 C LEU A1013 -1.710 28.521 3.814 1.00 0.00 C ATOM 1550 O LEU A1013 -2.337 27.549 3.396 1.00 0.00 O ATOM 1551 CB LEU A1013 -3.961 29.518 4.523 1.00 0.00 C ATOM 1552 CG LEU A1013 -4.798 30.791 4.387 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -6.261 30.526 4.748 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -4.201 31.931 5.215 1.00 0.00 C ATOM 0 H LEU A1013 -2.874 31.306 3.174 1.00 0.00 H new ATOM 0 HA LEU A1013 -2.106 29.767 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -4.260 28.825 3.737 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -4.206 29.046 5.475 1.00 0.00 H new ATOM 0 HG LEU A1013 -4.775 31.105 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -6.834 31.447 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -6.669 29.767 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -6.324 30.175 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -4.815 32.824 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -4.173 31.642 6.266 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -3.189 32.140 4.869 1.00 0.00 H new ATOM 1566 N GLN A1014 -0.392 28.644 3.760 1.00 0.00 N ATOM 1567 CA GLN A1014 0.434 27.598 3.180 1.00 0.00 C ATOM 1568 C GLN A1014 0.751 26.530 4.228 1.00 0.00 C ATOM 1569 O GLN A1014 0.199 25.431 4.185 1.00 0.00 O ATOM 1570 CB GLN A1014 1.718 28.180 2.585 1.00 0.00 C ATOM 1571 CG GLN A1014 2.696 27.069 2.198 1.00 0.00 C ATOM 1572 CD GLN A1014 4.035 27.651 1.742 1.00 0.00 C ATOM 1573 OE1 GLN A1014 4.668 28.434 2.431 1.00 0.00 O ATOM 1574 NE2 GLN A1014 4.430 27.227 0.545 1.00 0.00 N ATOM 0 H GLN A1014 0.125 29.452 4.108 1.00 0.00 H new ATOM 0 HA GLN A1014 -0.124 27.129 2.369 1.00 0.00 H new ATOM 0 HB2 GLN A1014 1.477 28.779 1.707 1.00 0.00 H new ATOM 0 HB3 GLN A1014 2.188 28.847 3.307 1.00 0.00 H new ATOM 0 HG2 GLN A1014 2.854 26.407 3.049 1.00 0.00 H new ATOM 0 HG3 GLN A1014 2.267 26.464 1.399 1.00 0.00 H new ATOM 0 HE21 GLN A1014 3.852 26.571 0.020 1.00 0.00 H new ATOM 0 HE22 GLN A1014 5.311 27.558 0.152 1.00 0.00 H new ATOM 1583 N GLN A1015 1.637 26.889 5.145 1.00 0.00 N ATOM 1584 CA GLN A1015 2.034 25.975 6.202 1.00 0.00 C ATOM 1585 C GLN A1015 0.808 25.255 6.769 1.00 0.00 C ATOM 1586 O GLN A1015 0.897 24.099 7.178 1.00 0.00 O ATOM 1587 CB GLN A1015 2.797 26.710 7.305 1.00 0.00 C ATOM 1588 CG GLN A1015 2.226 28.113 7.526 1.00 0.00 C ATOM 1589 CD GLN A1015 2.542 28.618 8.935 1.00 0.00 C ATOM 1590 OE1 GLN A1015 3.616 28.404 9.473 1.00 0.00 O ATOM 1591 NE2 GLN A1015 1.550 29.299 9.501 1.00 0.00 N ATOM 0 H GLN A1015 2.092 27.801 5.178 1.00 0.00 H new ATOM 0 HA GLN A1015 2.705 25.229 5.777 1.00 0.00 H new ATOM 0 HB2 GLN A1015 2.741 26.140 8.233 1.00 0.00 H new ATOM 0 HB3 GLN A1015 3.851 26.781 7.038 1.00 0.00 H new ATOM 0 HG2 GLN A1015 2.642 28.799 6.788 1.00 0.00 H new ATOM 0 HG3 GLN A1015 1.147 28.098 7.375 1.00 0.00 H new ATOM 0 HE21 GLN A1015 0.676 29.442 8.995 1.00 0.00 H new ATOM 0 HE22 GLN A1015 1.663 29.678 10.441 1.00 0.00 H new ATOM 1600 N GLU A1016 -0.308 25.970 6.774 1.00 0.00 N ATOM 1601 CA GLU A1016 -1.549 25.414 7.284 1.00 0.00 C ATOM 1602 C GLU A1016 -2.027 24.270 6.388 1.00 0.00 C ATOM 1603 O GLU A1016 -2.201 23.144 6.851 1.00 0.00 O ATOM 1604 CB GLU A1016 -2.623 26.496 7.411 1.00 0.00 C ATOM 1605 CG GLU A1016 -3.940 25.906 7.920 1.00 0.00 C ATOM 1606 CD GLU A1016 -5.110 26.851 7.640 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -5.176 27.892 8.328 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -5.912 26.511 6.743 1.00 0.00 O ATOM 0 H GLU A1016 -0.378 26.929 6.433 1.00 0.00 H new ATOM 0 HA GLU A1016 -1.362 25.014 8.281 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -2.281 27.274 8.094 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -2.783 26.970 6.442 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -4.122 24.945 7.439 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -3.868 25.718 8.991 1.00 0.00 H new ATOM 1615 N TYR A1017 -2.225 24.598 5.119 1.00 0.00 N ATOM 1616 CA TYR A1017 -2.678 23.612 4.153 1.00 0.00 C ATOM 1617 C TYR A1017 -1.598 22.560 3.895 1.00 0.00 C ATOM 1618 O TYR A1017 -1.871 21.517 3.303 1.00 0.00 O ATOM 1619 CB TYR A1017 -2.944 24.382 2.858 1.00 0.00 C ATOM 1620 CG TYR A1017 -4.406 24.789 2.664 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -5.038 25.564 3.615 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -5.093 24.381 1.539 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -6.414 25.948 3.433 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -6.469 24.764 1.357 1.00 0.00 C ATOM 1625 CZ TYR A1017 -7.061 25.529 2.313 1.00 0.00 C ATOM 1626 OH TYR A1017 -8.361 25.891 2.140 1.00 0.00 O ATOM 0 H TYR A1017 -2.080 25.533 4.738 1.00 0.00 H new ATOM 0 HA TYR A1017 -3.564 23.093 4.520 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -2.324 25.278 2.847 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -2.633 23.768 2.012 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -4.501 25.883 4.496 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -4.599 23.774 0.795 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -6.920 26.555 4.169 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -7.018 24.451 0.481 1.00 0.00 H new ATOM 0 HH TYR A1017 -8.487 26.233 1.230 1.00 0.00 H new ATOM 1636 N LYS A1018 -0.394 22.870 4.353 1.00 0.00 N ATOM 1637 CA LYS A1018 0.729 21.964 4.179 1.00 0.00 C ATOM 1638 C LYS A1018 0.547 20.752 5.094 1.00 0.00 C ATOM 1639 O LYS A1018 0.714 19.612 4.662 1.00 0.00 O ATOM 1640 CB LYS A1018 2.052 22.703 4.392 1.00 0.00 C ATOM 1641 CG LYS A1018 2.951 22.584 3.160 1.00 0.00 C ATOM 1642 CD LYS A1018 2.653 23.698 2.154 1.00 0.00 C ATOM 1643 CE LYS A1018 2.478 23.131 0.744 1.00 0.00 C ATOM 1644 NZ LYS A1018 2.096 24.204 -0.202 1.00 0.00 N ATOM 0 H LYS A1018 -0.171 23.736 4.844 1.00 0.00 H new ATOM 0 HA LYS A1018 0.761 21.589 3.156 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.856 23.754 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.565 22.294 5.262 1.00 0.00 H new ATOM 0 HG2 LYS A1018 3.997 22.633 3.463 1.00 0.00 H new ATOM 0 HG3 LYS A1018 2.801 21.613 2.688 1.00 0.00 H new ATOM 0 HD2 LYS A1018 1.749 24.229 2.451 1.00 0.00 H new ATOM 0 HD3 LYS A1018 3.465 24.425 2.159 1.00 0.00 H new ATOM 0 HE2 LYS A1018 3.406 22.662 0.416 1.00 0.00 H new ATOM 0 HE3 LYS A1018 1.713 22.354 0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 1.866 23.786 -1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 1.266 24.711 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 2.888 24.869 -0.310 1.00 0.00 H new ATOM 1658 N LYS A1019 0.207 21.039 6.342 1.00 0.00 N ATOM 1659 CA LYS A1019 0.001 19.986 7.323 1.00 0.00 C ATOM 1660 C LYS A1019 -1.184 19.119 6.892 1.00 0.00 C ATOM 1661 O LYS A1019 -1.161 17.901 7.064 1.00 0.00 O ATOM 1662 CB LYS A1019 -0.150 20.581 8.724 1.00 0.00 C ATOM 1663 CG LYS A1019 1.188 20.579 9.467 1.00 0.00 C ATOM 1664 CD LYS A1019 2.140 21.625 8.885 1.00 0.00 C ATOM 1665 CE LYS A1019 3.162 20.976 7.949 1.00 0.00 C ATOM 1666 NZ LYS A1019 4.214 20.288 8.729 1.00 0.00 N ATOM 0 H LYS A1019 0.069 21.985 6.697 1.00 0.00 H new ATOM 0 HA LYS A1019 0.873 19.334 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A1019 -0.528 21.601 8.651 1.00 0.00 H new ATOM 0 HB3 LYS A1019 -0.885 20.008 9.289 1.00 0.00 H new ATOM 0 HG2 LYS A1019 1.021 20.783 10.525 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.643 19.591 9.401 1.00 0.00 H new ATOM 0 HD2 LYS A1019 1.570 22.378 8.341 1.00 0.00 H new ATOM 0 HD3 LYS A1019 2.658 22.140 9.694 1.00 0.00 H new ATOM 0 HE2 LYS A1019 2.662 20.263 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A1019 3.613 21.735 7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 4.953 19.941 8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 4.633 20.954 9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 3.797 19.485 9.242 1.00 0.00 H new ATOM 1680 N GLN A1020 -2.190 19.781 6.340 1.00 0.00 N ATOM 1681 CA GLN A1020 -3.382 19.085 5.884 1.00 0.00 C ATOM 1682 C GLN A1020 -2.998 17.909 4.984 1.00 0.00 C ATOM 1683 O GLN A1020 -3.281 16.757 5.308 1.00 0.00 O ATOM 1684 CB GLN A1020 -4.331 20.042 5.160 1.00 0.00 C ATOM 1685 CG GLN A1020 -4.854 21.120 6.112 1.00 0.00 C ATOM 1686 CD GLN A1020 -5.848 20.530 7.115 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -5.490 20.079 8.190 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -7.112 20.559 6.704 1.00 0.00 N ATOM 0 H GLN A1020 -2.205 20.791 6.198 1.00 0.00 H new ATOM 0 HA GLN A1020 -3.907 18.694 6.755 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -3.812 20.511 4.324 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -5.168 19.483 4.743 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -4.020 21.575 6.646 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -5.336 21.913 5.540 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -7.343 20.951 5.791 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -7.851 20.189 7.302 1.00 0.00 H new ATOM 1697 N MET A1021 -2.358 18.240 3.872 1.00 0.00 N ATOM 1698 CA MET A1021 -1.933 17.225 2.923 1.00 0.00 C ATOM 1699 C MET A1021 -1.061 16.169 3.604 1.00 0.00 C ATOM 1700 O MET A1021 -0.986 15.030 3.145 1.00 0.00 O ATOM 1701 CB MET A1021 -1.144 17.885 1.789 1.00 0.00 C ATOM 1702 CG MET A1021 0.157 18.498 2.311 1.00 0.00 C ATOM 1703 SD MET A1021 1.428 18.388 1.063 1.00 0.00 S ATOM 1704 CE MET A1021 1.683 16.622 1.036 1.00 0.00 C ATOM 0 H MET A1021 -2.124 19.197 3.607 1.00 0.00 H new ATOM 0 HA MET A1021 -2.820 16.734 2.523 1.00 0.00 H new ATOM 0 HB2 MET A1021 -0.919 17.146 1.020 1.00 0.00 H new ATOM 0 HB3 MET A1021 -1.752 18.659 1.320 1.00 0.00 H new ATOM 0 HG2 MET A1021 -0.007 19.540 2.584 1.00 0.00 H new ATOM 0 HG3 MET A1021 0.477 17.978 3.214 1.00 0.00 H new ATOM 0 HE1 MET A1021 2.748 16.410 0.941 1.00 0.00 H new ATOM 0 HE2 MET A1021 1.308 16.186 1.962 1.00 0.00 H new ATOM 0 HE3 MET A1021 1.150 16.190 0.189 1.00 0.00 H new ATOM 1714 N LEU A1022 -0.424 16.584 4.690 1.00 0.00 N ATOM 1715 CA LEU A1022 0.440 15.687 5.439 1.00 0.00 C ATOM 1716 C LEU A1022 -0.416 14.638 6.152 1.00 0.00 C ATOM 1717 O LEU A1022 -0.101 13.450 6.121 1.00 0.00 O ATOM 1718 CB LEU A1022 1.349 16.481 6.379 1.00 0.00 C ATOM 1719 CG LEU A1022 2.735 15.885 6.633 1.00 0.00 C ATOM 1720 CD1 LEU A1022 3.826 16.944 6.465 1.00 0.00 C ATOM 1721 CD2 LEU A1022 2.799 15.209 8.004 1.00 0.00 C ATOM 0 H LEU A1022 -0.489 17.529 5.069 1.00 0.00 H new ATOM 0 HA LEU A1022 1.107 15.150 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.476 17.483 5.969 1.00 0.00 H new ATOM 0 HB3 LEU A1022 0.841 16.590 7.337 1.00 0.00 H new ATOM 0 HG LEU A1022 2.917 15.113 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A1022 4.801 16.494 6.651 1.00 0.00 H new ATOM 0 HD12 LEU A1022 3.796 17.339 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A1022 3.659 17.754 7.175 1.00 0.00 H new ATOM 0 HD21 LEU A1022 3.795 14.794 8.159 1.00 0.00 H new ATOM 0 HD22 LEU A1022 2.587 15.943 8.782 1.00 0.00 H new ATOM 0 HD23 LEU A1022 2.061 14.408 8.050 1.00 0.00 H new ATOM 1733 N THR A1023 -1.482 15.116 6.777 1.00 0.00 N ATOM 1734 CA THR A1023 -2.386 14.235 7.496 1.00 0.00 C ATOM 1735 C THR A1023 -2.742 13.020 6.636 1.00 0.00 C ATOM 1736 O THR A1023 -2.705 11.886 7.112 1.00 0.00 O ATOM 1737 CB THR A1023 -3.605 15.054 7.924 1.00 0.00 C ATOM 1738 OG1 THR A1023 -3.097 15.939 8.919 1.00 0.00 O ATOM 1739 CG2 THR A1023 -4.644 14.213 8.668 1.00 0.00 C ATOM 0 H THR A1023 -1.740 16.103 6.800 1.00 0.00 H new ATOM 0 HA THR A1023 -1.916 13.833 8.393 1.00 0.00 H new ATOM 0 HB THR A1023 -4.066 15.505 7.045 1.00 0.00 H new ATOM 0 HG1 THR A1023 -3.822 16.509 9.251 1.00 0.00 H new ATOM 0 HG21 THR A1023 -5.488 14.843 8.949 1.00 0.00 H new ATOM 0 HG22 THR A1023 -4.992 13.408 8.021 1.00 0.00 H new ATOM 0 HG23 THR A1023 -4.194 13.788 9.565 1.00 0.00 H new ATOM 1747 N ALA A1024 -3.079 13.298 5.386 1.00 0.00 N ATOM 1748 CA ALA A1024 -3.441 12.242 4.456 1.00 0.00 C ATOM 1749 C ALA A1024 -2.185 11.463 4.061 1.00 0.00 C ATOM 1750 O ALA A1024 -2.189 10.233 4.055 1.00 0.00 O ATOM 1751 CB ALA A1024 -4.154 12.849 3.246 1.00 0.00 C ATOM 0 H ALA A1024 -3.109 14.240 4.995 1.00 0.00 H new ATOM 0 HA ALA A1024 -4.131 11.540 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -4.425 12.057 2.548 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -5.055 13.366 3.576 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -3.490 13.557 2.750 1.00 0.00 H new ATOM 1757 N ALA A1025 -1.139 12.211 3.741 1.00 0.00 N ATOM 1758 CA ALA A1025 0.121 11.605 3.346 1.00 0.00 C ATOM 1759 C ALA A1025 0.614 10.687 4.466 1.00 0.00 C ATOM 1760 O ALA A1025 1.300 9.699 4.207 1.00 0.00 O ATOM 1761 CB ALA A1025 1.131 12.704 3.006 1.00 0.00 C ATOM 0 H ALA A1025 -1.138 13.231 3.747 1.00 0.00 H new ATOM 0 HA ALA A1025 -0.010 10.994 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A1025 2.077 12.250 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.747 13.310 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.290 13.335 3.880 1.00 0.00 H new ATOM 1767 N HIS A1026 0.245 11.046 5.687 1.00 0.00 N ATOM 1768 CA HIS A1026 0.641 10.266 6.848 1.00 0.00 C ATOM 1769 C HIS A1026 -0.195 8.987 6.916 1.00 0.00 C ATOM 1770 O HIS A1026 0.352 7.887 6.981 1.00 0.00 O ATOM 1771 CB HIS A1026 0.547 11.105 8.124 1.00 0.00 C ATOM 1772 CG HIS A1026 1.652 10.838 9.117 1.00 0.00 C ATOM 1773 ND1 HIS A1026 2.363 11.851 9.738 1.00 0.00 N ATOM 1774 CD2 HIS A1026 2.160 9.665 9.592 1.00 0.00 C ATOM 1775 CE1 HIS A1026 3.256 11.300 10.547 1.00 0.00 C ATOM 1776 NE2 HIS A1026 3.129 9.945 10.454 1.00 0.00 N ATOM 0 H HIS A1026 -0.324 11.866 5.898 1.00 0.00 H new ATOM 0 HA HIS A1026 1.686 9.971 6.753 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.562 12.161 7.854 1.00 0.00 H new ATOM 0 HB3 HIS A1026 -0.413 10.912 8.603 1.00 0.00 H new ATOM 0 HD2 HIS A1026 1.829 8.675 9.314 1.00 0.00 H new ATOM 0 HE1 HIS A1026 3.961 11.830 11.170 1.00 0.00 H new ATOM 0 HE2 HIS A1026 3.687 9.260 10.963 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.506 9.174 6.899 1.00 0.00 N ATOM 1785 CA ALA A1027 -2.423 8.048 6.959 1.00 0.00 C ATOM 1786 C ALA A1027 -2.237 7.178 5.714 1.00 0.00 C ATOM 1787 O ALA A1027 -2.344 5.955 5.786 1.00 0.00 O ATOM 1788 CB ALA A1027 -3.857 8.564 7.100 1.00 0.00 C ATOM 0 H ALA A1027 -1.956 10.088 6.845 1.00 0.00 H new ATOM 0 HA ALA A1027 -2.212 7.428 7.830 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -4.545 7.720 7.145 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -3.944 9.152 8.014 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -4.105 9.189 6.242 1.00 0.00 H new ATOM 1794 N LEU A1028 -1.962 7.843 4.602 1.00 0.00 N ATOM 1795 CA LEU A1028 -1.759 7.146 3.343 1.00 0.00 C ATOM 1796 C LEU A1028 -0.687 6.070 3.528 1.00 0.00 C ATOM 1797 O LEU A1028 -0.967 4.880 3.393 1.00 0.00 O ATOM 1798 CB LEU A1028 -1.447 8.140 2.224 1.00 0.00 C ATOM 1799 CG LEU A1028 -2.656 8.754 1.515 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -2.227 9.517 0.260 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -3.709 7.689 1.206 1.00 0.00 C ATOM 0 H LEU A1028 -1.875 8.858 4.546 1.00 0.00 H new ATOM 0 HA LEU A1028 -2.673 6.636 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -0.846 8.948 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A1028 -0.831 7.636 1.479 1.00 0.00 H new ATOM 0 HG LEU A1028 -3.117 9.476 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -3.105 9.943 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -1.541 10.318 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -1.728 8.834 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -4.558 8.152 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -3.276 6.926 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -4.045 7.229 2.135 1.00 0.00 H new ATOM 1813 N ALA A1029 0.518 6.528 3.833 1.00 0.00 N ATOM 1814 CA ALA A1029 1.634 5.620 4.037 1.00 0.00 C ATOM 1815 C ALA A1029 1.156 4.400 4.828 1.00 0.00 C ATOM 1816 O ALA A1029 1.511 3.268 4.504 1.00 0.00 O ATOM 1817 CB ALA A1029 2.773 6.361 4.741 1.00 0.00 C ATOM 0 H ALA A1029 0.746 7.516 3.944 1.00 0.00 H new ATOM 0 HA ALA A1029 2.018 5.264 3.081 1.00 0.00 H new ATOM 0 HB1 ALA A1029 3.610 5.680 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A1029 3.096 7.201 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.425 6.731 5.705 1.00 0.00 H new ATOM 1823 N VAL A1030 0.356 4.673 5.849 1.00 0.00 N ATOM 1824 CA VAL A1030 -0.174 3.612 6.688 1.00 0.00 C ATOM 1825 C VAL A1030 -1.215 2.816 5.898 1.00 0.00 C ATOM 1826 O VAL A1030 -1.225 1.586 5.942 1.00 0.00 O ATOM 1827 CB VAL A1030 -0.731 4.201 7.985 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -1.842 3.317 8.556 1.00 0.00 C ATOM 1829 CG2 VAL A1030 0.382 4.414 9.013 1.00 0.00 C ATOM 0 H VAL A1030 0.062 5.613 6.114 1.00 0.00 H new ATOM 0 HA VAL A1030 0.617 2.919 6.974 1.00 0.00 H new ATOM 0 HB VAL A1030 -1.163 5.174 7.752 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -2.221 3.758 9.478 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -2.653 3.238 7.832 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -1.445 2.324 8.766 1.00 0.00 H new ATOM 0 HG21 VAL A1030 -0.041 4.834 9.926 1.00 0.00 H new ATOM 0 HG22 VAL A1030 0.857 3.459 9.239 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.125 5.101 8.608 1.00 0.00 H new ATOM 1839 N ASP A1031 -2.064 3.548 5.193 1.00 0.00 N ATOM 1840 CA ASP A1031 -3.106 2.925 4.394 1.00 0.00 C ATOM 1841 C ASP A1031 -2.473 1.912 3.438 1.00 0.00 C ATOM 1842 O ASP A1031 -2.884 0.754 3.393 1.00 0.00 O ATOM 1843 CB ASP A1031 -3.852 3.964 3.555 1.00 0.00 C ATOM 1844 CG ASP A1031 -4.876 4.802 4.324 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -5.376 4.288 5.348 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -5.135 5.938 3.871 1.00 0.00 O ATOM 0 H ASP A1031 -2.052 4.567 5.158 1.00 0.00 H new ATOM 0 HA ASP A1031 -3.807 2.439 5.073 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -3.122 4.635 3.102 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -4.363 3.452 2.740 1.00 0.00 H new ATOM 1851 N ALA A1032 -1.481 2.385 2.697 1.00 0.00 N ATOM 1852 CA ALA A1032 -0.787 1.535 1.745 1.00 0.00 C ATOM 1853 C ALA A1032 -0.114 0.383 2.493 1.00 0.00 C ATOM 1854 O ALA A1032 0.100 -0.688 1.926 1.00 0.00 O ATOM 1855 CB ALA A1032 0.212 2.374 0.946 1.00 0.00 C ATOM 0 H ALA A1032 -1.142 3.346 2.737 1.00 0.00 H new ATOM 0 HA ALA A1032 -1.490 1.100 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A1032 0.733 1.737 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.320 3.160 0.410 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.936 2.824 1.626 1.00 0.00 H new ATOM 1861 N LYS A1033 0.199 0.641 3.754 1.00 0.00 N ATOM 1862 CA LYS A1033 0.843 -0.362 4.585 1.00 0.00 C ATOM 1863 C LYS A1033 -0.177 -1.438 4.962 1.00 0.00 C ATOM 1864 O LYS A1033 -0.031 -2.598 4.581 1.00 0.00 O ATOM 1865 CB LYS A1033 1.519 0.295 5.791 1.00 0.00 C ATOM 1866 CG LYS A1033 2.915 0.803 5.427 1.00 0.00 C ATOM 1867 CD LYS A1033 3.936 -0.337 5.445 1.00 0.00 C ATOM 1868 CE LYS A1033 5.362 0.202 5.324 1.00 0.00 C ATOM 1869 NZ LYS A1033 6.328 -0.750 5.915 1.00 0.00 N ATOM 0 H LYS A1033 0.019 1.530 4.221 1.00 0.00 H new ATOM 0 HA LYS A1033 1.641 -0.859 4.033 1.00 0.00 H new ATOM 0 HB2 LYS A1033 0.908 1.124 6.148 1.00 0.00 H new ATOM 0 HB3 LYS A1033 1.591 -0.423 6.608 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.893 1.260 4.438 1.00 0.00 H new ATOM 0 HG3 LYS A1033 3.218 1.579 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A1033 3.836 -0.905 6.370 1.00 0.00 H new ATOM 0 HD3 LYS A1033 3.733 -1.025 4.624 1.00 0.00 H new ATOM 0 HE2 LYS A1033 5.605 0.372 4.275 1.00 0.00 H new ATOM 0 HE3 LYS A1033 5.437 1.165 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 7.291 -0.368 5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 6.105 -0.891 6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 6.268 -1.660 5.416 1.00 0.00 H new ATOM 1883 N ASN A1034 -1.188 -1.014 5.706 1.00 0.00 N ATOM 1884 CA ASN A1034 -2.233 -1.926 6.139 1.00 0.00 C ATOM 1885 C ASN A1034 -2.590 -2.869 4.988 1.00 0.00 C ATOM 1886 O ASN A1034 -3.002 -4.005 5.217 1.00 0.00 O ATOM 1887 CB ASN A1034 -3.499 -1.165 6.537 1.00 0.00 C ATOM 1888 CG ASN A1034 -3.157 0.064 7.382 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -2.184 0.092 8.118 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -4.009 1.074 7.237 1.00 0.00 N ATOM 0 H ASN A1034 -1.306 -0.051 6.020 1.00 0.00 H new ATOM 0 HA ASN A1034 -1.861 -2.481 7.000 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -4.039 -0.856 5.642 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -4.162 -1.823 7.098 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -3.868 1.939 7.759 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -4.803 0.984 6.604 1.00 0.00 H new ATOM 1897 N LEU A1035 -2.419 -2.362 3.776 1.00 0.00 N ATOM 1898 CA LEU A1035 -2.718 -3.145 2.589 1.00 0.00 C ATOM 1899 C LEU A1035 -1.794 -4.363 2.540 1.00 0.00 C ATOM 1900 O LEU A1035 -2.241 -5.494 2.728 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.647 -2.268 1.337 1.00 0.00 C ATOM 1902 CG LEU A1035 -2.819 -2.992 0.000 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -4.067 -3.877 0.013 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -2.832 -1.999 -1.163 1.00 0.00 C ATOM 0 H LEU A1035 -2.077 -1.419 3.590 1.00 0.00 H new ATOM 0 HA LEU A1035 -3.740 -3.522 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -3.416 -1.499 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.684 -1.757 1.330 1.00 0.00 H new ATOM 0 HG LEU A1035 -1.961 -3.648 -0.147 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -4.166 -4.380 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -3.977 -4.621 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -4.948 -3.261 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -2.955 -2.539 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -3.659 -1.300 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -1.891 -1.449 -1.182 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.522 -4.091 2.287 1.00 0.00 N ATOM 1917 CA LEU A1036 0.469 -5.151 2.211 1.00 0.00 C ATOM 1918 C LEU A1036 0.626 -5.796 3.590 1.00 0.00 C ATOM 1919 O LEU A1036 0.733 -7.016 3.700 1.00 0.00 O ATOM 1920 CB LEU A1036 1.779 -4.619 1.628 1.00 0.00 C ATOM 1921 CG LEU A1036 2.411 -5.462 0.519 1.00 0.00 C ATOM 1922 CD1 LEU A1036 2.126 -4.860 -0.859 1.00 0.00 C ATOM 1923 CD2 LEU A1036 3.909 -5.654 0.762 1.00 0.00 C ATOM 0 H LEU A1036 -0.155 -3.152 2.132 1.00 0.00 H new ATOM 0 HA LEU A1036 0.138 -5.934 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.600 -3.617 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A1036 2.501 -4.521 2.439 1.00 0.00 H new ATOM 0 HG LEU A1036 1.952 -6.451 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A1036 2.587 -5.479 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A1036 1.049 -4.819 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A1036 2.539 -3.852 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.334 -6.257 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A1036 4.401 -4.682 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A1036 4.061 -6.160 1.715 1.00 0.00 H new ATOM 1935 N ASP A1037 0.636 -4.947 4.607 1.00 0.00 N ATOM 1936 CA ASP A1037 0.779 -5.418 5.974 1.00 0.00 C ATOM 1937 C ASP A1037 -0.090 -6.662 6.173 1.00 0.00 C ATOM 1938 O ASP A1037 0.335 -7.626 6.807 1.00 0.00 O ATOM 1939 CB ASP A1037 0.319 -4.356 6.974 1.00 0.00 C ATOM 1940 CG ASP A1037 0.842 -4.541 8.400 1.00 0.00 C ATOM 1941 OD1 ASP A1037 1.976 -4.080 8.653 1.00 0.00 O ATOM 1942 OD2 ASP A1037 0.095 -5.139 9.205 1.00 0.00 O ATOM 0 H ASP A1037 0.547 -3.935 4.512 1.00 0.00 H new ATOM 0 HA ASP A1037 1.832 -5.642 6.145 1.00 0.00 H new ATOM 0 HB2 ASP A1037 0.633 -3.377 6.612 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -0.771 -4.351 7.000 1.00 0.00 H new ATOM 1947 N VAL A1038 -1.292 -6.600 5.619 1.00 0.00 N ATOM 1948 CA VAL A1038 -2.225 -7.709 5.728 1.00 0.00 C ATOM 1949 C VAL A1038 -1.741 -8.865 4.851 1.00 0.00 C ATOM 1950 O VAL A1038 -1.841 -10.028 5.239 1.00 0.00 O ATOM 1951 CB VAL A1038 -3.638 -7.241 5.375 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -4.607 -8.423 5.313 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -4.128 -6.181 6.363 1.00 0.00 C ATOM 0 H VAL A1038 -1.641 -5.799 5.093 1.00 0.00 H new ATOM 0 HA VAL A1038 -2.266 -8.075 6.754 1.00 0.00 H new ATOM 0 HB VAL A1038 -3.602 -6.785 4.386 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -5.604 -8.063 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -4.272 -9.128 4.552 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -4.636 -8.921 6.282 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -5.135 -5.866 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -4.140 -6.600 7.369 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -3.459 -5.321 6.336 1.00 0.00 H new ATOM 1963 N ILE A1039 -1.226 -8.505 3.684 1.00 0.00 N ATOM 1964 CA ILE A1039 -0.726 -9.497 2.748 1.00 0.00 C ATOM 1965 C ILE A1039 0.293 -10.392 3.456 1.00 0.00 C ATOM 1966 O ILE A1039 0.109 -11.605 3.537 1.00 0.00 O ATOM 1967 CB ILE A1039 -0.180 -8.820 1.490 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -1.296 -8.572 0.472 1.00 0.00 C ATOM 1969 CG2 ILE A1039 0.974 -9.626 0.890 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -0.790 -7.734 -0.703 1.00 0.00 C ATOM 0 H ILE A1039 -1.144 -7.539 3.366 1.00 0.00 H new ATOM 0 HA ILE A1039 -1.536 -10.142 2.408 1.00 0.00 H new ATOM 0 HB ILE A1039 0.220 -7.846 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.677 -9.525 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.128 -8.061 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A1039 1.344 -9.123 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.779 -9.707 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A1039 0.622 -10.623 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.603 -7.573 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -0.432 -6.772 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE A1039 0.026 -8.259 -1.200 1.00 0.00 H new ATOM 1982 N ASP A1040 1.345 -9.758 3.952 1.00 0.00 N ATOM 1983 CA ASP A1040 2.394 -10.481 4.651 1.00 0.00 C ATOM 1984 C ASP A1040 1.761 -11.428 5.673 1.00 0.00 C ATOM 1985 O ASP A1040 2.161 -12.586 5.783 1.00 0.00 O ATOM 1986 CB ASP A1040 3.317 -9.521 5.404 1.00 0.00 C ATOM 1987 CG ASP A1040 4.813 -9.759 5.188 1.00 0.00 C ATOM 1988 OD1 ASP A1040 5.183 -10.943 5.034 1.00 0.00 O ATOM 1989 OD2 ASP A1040 5.553 -8.751 5.181 1.00 0.00 O ATOM 0 H ASP A1040 1.494 -8.751 3.884 1.00 0.00 H new ATOM 0 HA ASP A1040 2.974 -11.033 3.911 1.00 0.00 H new ATOM 0 HB2 ASP A1040 3.079 -8.501 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A1040 3.103 -9.596 6.470 1.00 0.00 H new ATOM 1994 N GLN A1041 0.783 -10.900 6.394 1.00 0.00 N ATOM 1995 CA GLN A1041 0.091 -11.684 7.403 1.00 0.00 C ATOM 1996 C GLN A1041 -0.768 -12.762 6.740 1.00 0.00 C ATOM 1997 O GLN A1041 -1.050 -13.796 7.345 1.00 0.00 O ATOM 1998 CB GLN A1041 -0.757 -10.787 8.308 1.00 0.00 C ATOM 1999 CG GLN A1041 -0.364 -10.962 9.776 1.00 0.00 C ATOM 2000 CD GLN A1041 -1.390 -10.303 10.700 1.00 0.00 C ATOM 2001 OE1 GLN A1041 -2.349 -10.914 11.143 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -1.137 -9.024 10.965 1.00 0.00 N ATOM 0 H GLN A1041 0.453 -9.939 6.300 1.00 0.00 H new ATOM 0 HA GLN A1041 0.837 -12.175 8.029 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -0.630 -9.745 8.015 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -1.812 -11.028 8.179 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -0.286 -12.023 10.011 1.00 0.00 H new ATOM 0 HG3 GLN A1041 0.619 -10.524 9.948 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -0.316 -8.572 10.562 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -1.764 -8.495 11.572 1.00 0.00 H new ATOM 2011 N ALA A1042 -1.162 -12.485 5.506 1.00 0.00 N ATOM 2012 CA ALA A1042 -1.983 -13.418 4.754 1.00 0.00 C ATOM 2013 C ALA A1042 -1.097 -14.530 4.188 1.00 0.00 C ATOM 2014 O ALA A1042 -1.420 -15.710 4.312 1.00 0.00 O ATOM 2015 CB ALA A1042 -2.742 -12.665 3.660 1.00 0.00 C ATOM 0 H ALA A1042 -0.927 -11.626 5.008 1.00 0.00 H new ATOM 0 HA ALA A1042 -2.724 -13.885 5.403 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -3.358 -13.366 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.379 -11.907 4.115 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -2.031 -12.185 2.988 1.00 0.00 H new ATOM 2021 N ARG A1043 0.004 -14.113 3.580 1.00 0.00 N ATOM 2022 CA ARG A1043 0.939 -15.059 2.995 1.00 0.00 C ATOM 2023 C ARG A1043 1.208 -16.210 3.966 1.00 0.00 C ATOM 2024 O ARG A1043 1.043 -17.376 3.613 1.00 0.00 O ATOM 2025 CB ARG A1043 2.264 -14.378 2.643 1.00 0.00 C ATOM 2026 CG ARG A1043 3.146 -15.298 1.798 1.00 0.00 C ATOM 2027 CD ARG A1043 4.625 -14.939 1.958 1.00 0.00 C ATOM 2028 NE ARG A1043 5.045 -14.027 0.870 1.00 0.00 N ATOM 2029 CZ ARG A1043 6.182 -13.318 0.881 1.00 0.00 C ATOM 2030 NH1 ARG A1043 7.019 -13.411 1.923 1.00 0.00 N ATOM 2031 NH2 ARG A1043 6.481 -12.517 -0.150 1.00 0.00 N ATOM 0 H ARG A1043 0.269 -13.133 3.480 1.00 0.00 H new ATOM 0 HA ARG A1043 0.489 -15.448 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A1043 2.069 -13.454 2.098 1.00 0.00 H new ATOM 0 HB3 ARG A1043 2.790 -14.103 3.557 1.00 0.00 H new ATOM 0 HG2 ARG A1043 2.986 -16.335 2.095 1.00 0.00 H new ATOM 0 HG3 ARG A1043 2.860 -15.219 0.749 1.00 0.00 H new ATOM 0 HD2 ARG A1043 4.790 -14.465 2.925 1.00 0.00 H new ATOM 0 HD3 ARG A1043 5.232 -15.844 1.939 1.00 0.00 H new ATOM 0 HE ARG A1043 4.430 -13.932 0.061 1.00 0.00 H new ATOM 0 HH11 ARG A1043 6.791 -14.021 2.708 1.00 0.00 H new ATOM 0 HH12 ARG A1043 7.885 -12.871 1.932 1.00 0.00 H new ATOM 0 HH21 ARG A1043 5.843 -12.447 -0.943 1.00 0.00 H new ATOM 0 HH22 ARG A1043 7.346 -11.977 -0.142 1.00 0.00 H new ATOM 2045 N LEU A1044 1.617 -15.842 5.171 1.00 0.00 N ATOM 2046 CA LEU A1044 1.910 -16.829 6.196 1.00 0.00 C ATOM 2047 C LEU A1044 0.684 -17.720 6.405 1.00 0.00 C ATOM 2048 O LEU A1044 0.807 -18.941 6.491 1.00 0.00 O ATOM 2049 CB LEU A1044 2.398 -16.145 7.475 1.00 0.00 C ATOM 2050 CG LEU A1044 1.518 -15.013 8.008 1.00 0.00 C ATOM 2051 CD1 LEU A1044 0.485 -15.544 9.004 1.00 0.00 C ATOM 2052 CD2 LEU A1044 2.370 -13.893 8.609 1.00 0.00 C ATOM 0 H LEU A1044 1.752 -14.873 5.461 1.00 0.00 H new ATOM 0 HA LEU A1044 2.726 -17.478 5.878 1.00 0.00 H new ATOM 0 HB2 LEU A1044 2.494 -16.901 8.254 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.396 -15.747 7.292 1.00 0.00 H new ATOM 0 HG LEU A1044 0.967 -14.585 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -0.127 -14.719 9.368 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -0.152 -16.279 8.511 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.997 -16.013 9.844 1.00 0.00 H new ATOM 0 HD21 LEU A1044 1.720 -13.101 8.981 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.965 -14.290 9.432 1.00 0.00 H new ATOM 0 HD23 LEU A1044 3.033 -13.489 7.844 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.471 -17.075 6.481 1.00 0.00 N ATOM 2065 CA LYS A1045 -1.718 -17.794 6.678 1.00 0.00 C ATOM 2066 C LYS A1045 -1.730 -19.039 5.789 1.00 0.00 C ATOM 2067 O LYS A1045 -2.304 -20.063 6.157 1.00 0.00 O ATOM 2068 CB LYS A1045 -2.913 -16.865 6.453 1.00 0.00 C ATOM 2069 CG LYS A1045 -4.188 -17.454 7.061 1.00 0.00 C ATOM 2070 CD LYS A1045 -4.975 -18.251 6.018 1.00 0.00 C ATOM 2071 CE LYS A1045 -6.482 -18.093 6.231 1.00 0.00 C ATOM 2072 NZ LYS A1045 -7.099 -19.399 6.555 1.00 0.00 N ATOM 0 H LYS A1045 -0.569 -16.062 6.410 1.00 0.00 H new ATOM 0 HA LYS A1045 -1.801 -18.138 7.709 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -2.710 -15.891 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -3.056 -16.703 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -3.930 -18.101 7.900 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -4.811 -16.652 7.457 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -4.708 -17.911 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -4.704 -19.305 6.080 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -6.669 -17.385 7.039 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -6.941 -17.680 5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -8.122 -19.274 6.697 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -6.936 -20.064 5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -6.673 -19.778 7.425 1.00 0.00 H new ATOM 2086 N MET A1046 -1.090 -18.910 4.636 1.00 0.00 N ATOM 2087 CA MET A1046 -1.020 -20.012 3.692 1.00 0.00 C ATOM 2088 C MET A1046 0.149 -20.942 4.021 1.00 0.00 C ATOM 2089 O MET A1046 -0.018 -22.160 4.071 1.00 0.00 O ATOM 2090 CB MET A1046 -0.851 -19.460 2.275 1.00 0.00 C ATOM 2091 CG MET A1046 -0.275 -20.523 1.338 1.00 0.00 C ATOM 2092 SD MET A1046 -0.305 -19.933 -0.347 1.00 0.00 S ATOM 2093 CE MET A1046 0.298 -18.271 -0.104 1.00 0.00 C ATOM 0 H MET A1046 -0.615 -18.059 4.334 1.00 0.00 H new ATOM 0 HA MET A1046 -1.945 -20.584 3.760 1.00 0.00 H new ATOM 0 HB2 MET A1046 -1.815 -19.120 1.896 1.00 0.00 H new ATOM 0 HB3 MET A1046 -0.192 -18.592 2.295 1.00 0.00 H new ATOM 0 HG2 MET A1046 0.748 -20.762 1.630 1.00 0.00 H new ATOM 0 HG3 MET A1046 -0.853 -21.444 1.420 1.00 0.00 H new ATOM 0 HE1 MET A1046 0.693 -17.886 -1.044 1.00 0.00 H new ATOM 0 HE2 MET A1046 -0.519 -17.634 0.235 1.00 0.00 H new ATOM 0 HE3 MET A1046 1.089 -18.277 0.646 1.00 0.00 H new ATOM 2103 N ILE A1047 1.306 -20.333 4.236 1.00 0.00 N ATOM 2104 CA ILE A1047 2.502 -21.092 4.558 1.00 0.00 C ATOM 2105 C ILE A1047 2.194 -22.060 5.702 1.00 0.00 C ATOM 2106 O ILE A1047 2.141 -23.272 5.497 1.00 0.00 O ATOM 2107 CB ILE A1047 3.672 -20.150 4.849 1.00 0.00 C ATOM 2108 CG1 ILE A1047 4.249 -19.577 3.553 1.00 0.00 C ATOM 2109 CG2 ILE A1047 4.741 -20.847 5.693 1.00 0.00 C ATOM 2110 CD1 ILE A1047 4.340 -18.051 3.620 1.00 0.00 C ATOM 0 H ILE A1047 1.440 -19.323 4.193 1.00 0.00 H new ATOM 0 HA ILE A1047 2.812 -21.695 3.704 1.00 0.00 H new ATOM 0 HB ILE A1047 3.297 -19.310 5.434 1.00 0.00 H new ATOM 0 HG12 ILE A1047 5.239 -19.996 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A1047 3.622 -19.871 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A1047 5.561 -20.155 5.885 1.00 0.00 H new ATOM 0 HG22 ILE A1047 4.306 -21.166 6.640 1.00 0.00 H new ATOM 0 HG23 ILE A1047 5.119 -21.717 5.156 1.00 0.00 H new ATOM 0 HD11 ILE A1047 4.753 -17.670 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A1047 3.345 -17.634 3.774 1.00 0.00 H new ATOM 0 HD13 ILE A1047 4.987 -17.761 4.448 1.00 0.00 H new