USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=25 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: A1010 MET CE :methyl 151:sc= -9.11! (180deg=-15.1!) USER MOD Set 1.2: A1011 THR OG1 : rot -80:sc= 1.08 USER MOD Set 2.1: A1008 TYR OH : rot 180:sc= 0.0267 USER MOD Set 2.2: A1017 TYR OH : rot 52:sc= 1.07 USER MOD Set 3.1: A 944 GLN : amide:sc= -0.987! X(o=-4.1!,f=-3.6) USER MOD Set 3.2: A1014 GLN : amide:sc= -3.09! C(o=-4.1!,f=-8.2!) USER MOD Single : A 922 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.2) USER MOD Single : A 924 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 928 ASN : amide:sc= -0.264 K(o=-0.26,f=-4.1!) USER MOD Single : A 930 THR OG1 : rot 6:sc= 0.187 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl -144:sc= -0.703 (180deg=-4.01!) USER MOD Single : A 940 SER OG : rot -100:sc= -1.05! USER MOD Single : A 941 SER OG : rot -75:sc= 1.04 USER MOD Single : A 942 LYS NZ :NH3+ -146:sc= -0.0172 (180deg=-0.29) USER MOD Single : A 951 TYR OH : rot 77:sc= 1.15 USER MOD Single : A 954 MET CE :methyl -143:sc= -3.13! (180deg=-6.84!) 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 -25:sc= -1.4 USER MOD Single : A 972 SER OG : rot 69:sc= -2.95! USER MOD Single : A 979 SER OG : rot 130:sc=-0.000163 USER MOD Single : A 980 THR OG1 : rot 66:sc= -0.307! USER MOD Single : A 981 HIS : no HD1:sc=-0.00911 X(o=-0.0091,f=0) USER MOD Single : A 986 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 988 GLN : amide:sc= -7.01! C(o=-7!,f=-15!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= -0.0313 K(o=-0.031,f=-2) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= -0.293 X(o=-0.29,f=0) USER MOD Single : A1001 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1002 MET CE :methyl -154:sc= -1.76 (180deg=-2.68) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 GLN : amide:sc= -0.725 K(o=-0.72,f=-2.6!) USER MOD Single : A1007 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1015 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1018 LYS NZ :NH3+ -155:sc= 0.0329 (180deg=-0.128) USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A1021 MET CE :methyl -110:sc= -1.94 (180deg=-2.91!) USER MOD Single : A1023 THR OG1 : rot 92:sc= 0.198 USER MOD Single : A1026 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.1) USER MOD Single : A1033 LYS NZ :NH3+ -151:sc= 0.858 (180deg=0.229) USER MOD Single : A1034 ASN : amide:sc= -1.77 K(o=-1.8,f=-4.8!) USER MOD Single : A1041 GLN : amide:sc=-0.00414 X(o=-0.0041,f=-0.075) USER MOD Single : A1045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1046 MET CE :methyl 154:sc= -0.261 (180deg=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASN A 922 5.768 -9.956 -6.151 1.00 0.00 N ATOM 108 CA ASN A 922 5.508 -9.350 -4.856 1.00 0.00 C ATOM 109 C ASN A 922 6.546 -8.257 -4.592 1.00 0.00 C ATOM 110 O ASN A 922 6.425 -7.502 -3.628 1.00 0.00 O ATOM 111 CB ASN A 922 5.612 -10.383 -3.733 1.00 0.00 C ATOM 112 CG ASN A 922 7.021 -10.973 -3.660 1.00 0.00 C ATOM 113 OD1 ASN A 922 7.454 -11.722 -4.521 1.00 0.00 O ATOM 114 ND2 ASN A 922 7.711 -10.597 -2.587 1.00 0.00 N ATOM 0 HA ASN A 922 4.499 -8.938 -4.873 1.00 0.00 H new ATOM 0 HB2 ASN A 922 5.359 -9.917 -2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 922 4.888 -11.181 -3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 922 8.662 -10.938 -2.447 1.00 0.00 H new ATOM 0 HD22 ASN A 922 7.289 -9.967 -1.904 1.00 0.00 H new ATOM 121 N ASP A 923 7.541 -8.207 -5.464 1.00 0.00 N ATOM 122 CA ASP A 923 8.599 -7.220 -5.337 1.00 0.00 C ATOM 123 C ASP A 923 8.077 -5.857 -5.797 1.00 0.00 C ATOM 124 O ASP A 923 8.293 -4.848 -5.128 1.00 0.00 O ATOM 125 CB ASP A 923 9.801 -7.585 -6.210 1.00 0.00 C ATOM 126 CG ASP A 923 10.974 -6.605 -6.138 1.00 0.00 C ATOM 127 OD1 ASP A 923 11.305 -6.198 -5.003 1.00 0.00 O ATOM 128 OD2 ASP A 923 11.514 -6.285 -7.219 1.00 0.00 O ATOM 0 H ASP A 923 7.637 -8.835 -6.262 1.00 0.00 H new ATOM 0 HA ASP A 923 8.908 -7.190 -4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 923 10.155 -8.574 -5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 923 9.470 -7.657 -7.246 1.00 0.00 H new ATOM 133 N LYS A 924 7.400 -5.872 -6.936 1.00 0.00 N ATOM 134 CA LYS A 924 6.846 -4.650 -7.493 1.00 0.00 C ATOM 135 C LYS A 924 5.788 -4.093 -6.538 1.00 0.00 C ATOM 136 O LYS A 924 5.863 -2.935 -6.129 1.00 0.00 O ATOM 137 CB LYS A 924 6.326 -4.895 -8.911 1.00 0.00 C ATOM 138 CG LYS A 924 6.620 -3.697 -9.817 1.00 0.00 C ATOM 139 CD LYS A 924 5.409 -3.361 -10.690 1.00 0.00 C ATOM 140 CE LYS A 924 5.699 -2.157 -11.589 1.00 0.00 C ATOM 141 NZ LYS A 924 4.454 -1.672 -12.224 1.00 0.00 N ATOM 0 H LYS A 924 7.223 -6.711 -7.488 1.00 0.00 H new ATOM 0 HA LYS A 924 7.621 -3.890 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 924 6.791 -5.790 -9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 924 5.252 -5.079 -8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 924 6.885 -2.833 -9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 924 7.480 -3.917 -10.450 1.00 0.00 H new ATOM 0 HD2 LYS A 924 5.148 -4.223 -11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 924 4.548 -3.148 -10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 924 6.150 -1.357 -11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 924 6.421 -2.435 -12.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 4.669 -0.855 -12.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 4.040 -2.432 -12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 3.777 -1.388 -11.488 1.00 0.00 H new ATOM 155 N VAL A 925 4.827 -4.944 -6.209 1.00 0.00 N ATOM 156 CA VAL A 925 3.755 -4.552 -5.310 1.00 0.00 C ATOM 157 C VAL A 925 4.355 -3.901 -4.062 1.00 0.00 C ATOM 158 O VAL A 925 3.995 -2.779 -3.708 1.00 0.00 O ATOM 159 CB VAL A 925 2.872 -5.760 -4.989 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.637 -5.339 -4.190 1.00 0.00 C ATOM 161 CG2 VAL A 925 2.473 -6.501 -6.267 1.00 0.00 C ATOM 0 H VAL A 925 4.769 -5.904 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 925 3.110 -3.813 -5.784 1.00 0.00 H new ATOM 0 HB VAL A 925 3.452 -6.446 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 925 1.026 -6.216 -3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 925 1.950 -4.876 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 925 1.054 -4.625 -4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 925 1.846 -7.355 -6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 925 1.919 -5.827 -6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 925 3.369 -6.849 -6.780 1.00 0.00 H new ATOM 171 N TYR A 926 5.259 -4.634 -3.428 1.00 0.00 N ATOM 172 CA TYR A 926 5.912 -4.142 -2.227 1.00 0.00 C ATOM 173 C TYR A 926 6.704 -2.866 -2.517 1.00 0.00 C ATOM 174 O TYR A 926 6.839 -2.005 -1.649 1.00 0.00 O ATOM 175 CB TYR A 926 6.882 -5.243 -1.794 1.00 0.00 C ATOM 176 CG TYR A 926 6.224 -6.381 -1.011 1.00 0.00 C ATOM 177 CD1 TYR A 926 5.013 -6.895 -1.429 1.00 0.00 C ATOM 178 CD2 TYR A 926 6.840 -6.892 0.112 1.00 0.00 C ATOM 179 CE1 TYR A 926 4.393 -7.966 -0.692 1.00 0.00 C ATOM 180 CE2 TYR A 926 6.221 -7.963 0.849 1.00 0.00 C ATOM 181 CZ TYR A 926 5.028 -8.447 0.411 1.00 0.00 C ATOM 182 OH TYR A 926 4.442 -9.458 1.107 1.00 0.00 O ATOM 0 H TYR A 926 5.554 -5.565 -3.724 1.00 0.00 H new ATOM 0 HA TYR A 926 5.176 -3.907 -1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 926 7.364 -5.657 -2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 926 7.667 -4.801 -1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 926 4.531 -6.494 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 926 7.787 -6.489 0.439 1.00 0.00 H new ATOM 0 HE1 TYR A 926 3.446 -8.378 -1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 926 6.693 -8.373 1.730 1.00 0.00 H new ATOM 0 HH TYR A 926 5.008 -9.701 1.869 1.00 0.00 H new ATOM 192 N GLU A 927 7.207 -2.784 -3.740 1.00 0.00 N ATOM 193 CA GLU A 927 7.982 -1.627 -4.155 1.00 0.00 C ATOM 194 C GLU A 927 7.065 -0.420 -4.361 1.00 0.00 C ATOM 195 O GLU A 927 7.224 0.605 -3.699 1.00 0.00 O ATOM 196 CB GLU A 927 8.783 -1.930 -5.423 1.00 0.00 C ATOM 197 CG GLU A 927 10.139 -2.552 -5.080 1.00 0.00 C ATOM 198 CD GLU A 927 11.232 -1.482 -5.017 1.00 0.00 C ATOM 199 OE1 GLU A 927 11.369 -0.874 -3.933 1.00 0.00 O ATOM 200 OE2 GLU A 927 11.905 -1.298 -6.053 1.00 0.00 O ATOM 0 H GLU A 927 7.093 -3.500 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 927 8.693 -1.388 -3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 927 8.218 -2.610 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 927 8.933 -1.012 -5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 927 10.075 -3.068 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 927 10.400 -3.300 -5.829 1.00 0.00 H new ATOM 207 N ASN A 928 6.125 -0.581 -5.281 1.00 0.00 N ATOM 208 CA ASN A 928 5.183 0.482 -5.582 1.00 0.00 C ATOM 209 C ASN A 928 4.517 0.950 -4.287 1.00 0.00 C ATOM 210 O ASN A 928 4.042 2.082 -4.202 1.00 0.00 O ATOM 211 CB ASN A 928 4.084 -0.007 -6.528 1.00 0.00 C ATOM 212 CG ASN A 928 3.695 1.085 -7.528 1.00 0.00 C ATOM 213 OD1 ASN A 928 2.595 1.612 -7.513 1.00 0.00 O ATOM 214 ND2 ASN A 928 4.656 1.392 -8.394 1.00 0.00 N ATOM 0 H ASN A 928 5.996 -1.432 -5.828 1.00 0.00 H new ATOM 0 HA ASN A 928 5.733 1.295 -6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 928 4.428 -0.891 -7.065 1.00 0.00 H new ATOM 0 HB3 ASN A 928 3.209 -0.305 -5.951 1.00 0.00 H new ATOM 0 HD21 ASN A 928 4.495 2.108 -9.102 1.00 0.00 H new ATOM 0 HD22 ASN A 928 5.555 0.911 -8.350 1.00 0.00 H new ATOM 221 N VAL A 929 4.504 0.056 -3.309 1.00 0.00 N ATOM 222 CA VAL A 929 3.904 0.363 -2.022 1.00 0.00 C ATOM 223 C VAL A 929 4.810 1.334 -1.261 1.00 0.00 C ATOM 224 O VAL A 929 4.325 2.251 -0.599 1.00 0.00 O ATOM 225 CB VAL A 929 3.632 -0.929 -1.250 1.00 0.00 C ATOM 226 CG1 VAL A 929 3.339 -0.637 0.223 1.00 0.00 C ATOM 227 CG2 VAL A 929 2.488 -1.719 -1.889 1.00 0.00 C ATOM 0 H VAL A 929 4.900 -0.881 -3.382 1.00 0.00 H new ATOM 0 HA VAL A 929 2.940 0.854 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 929 4.532 -1.543 -1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 929 3.149 -1.573 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 929 4.197 -0.136 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 929 2.462 0.006 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 929 2.315 -2.633 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 929 1.582 -1.113 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 929 2.751 -1.974 -2.916 1.00 0.00 H new ATOM 237 N THR A 930 6.108 1.100 -1.381 1.00 0.00 N ATOM 238 CA THR A 930 7.085 1.943 -0.713 1.00 0.00 C ATOM 239 C THR A 930 7.373 3.192 -1.549 1.00 0.00 C ATOM 240 O THR A 930 7.709 4.243 -1.006 1.00 0.00 O ATOM 241 CB THR A 930 8.330 1.096 -0.438 1.00 0.00 C ATOM 242 OG1 THR A 930 8.691 0.583 -1.717 1.00 0.00 O ATOM 243 CG2 THR A 930 8.018 -0.152 0.390 1.00 0.00 C ATOM 0 H THR A 930 6.506 0.339 -1.931 1.00 0.00 H new ATOM 0 HA THR A 930 6.705 2.309 0.241 1.00 0.00 H new ATOM 0 HB THR A 930 9.072 1.701 0.083 1.00 0.00 H new ATOM 0 HG1 THR A 930 8.119 0.985 -2.404 1.00 0.00 H new ATOM 0 HG21 THR A 930 8.935 -0.717 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 930 7.595 0.145 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 930 7.301 -0.774 -0.146 1.00 0.00 H new ATOM 251 N GLY A 931 7.230 3.035 -2.857 1.00 0.00 N ATOM 252 CA GLY A 931 7.470 4.137 -3.773 1.00 0.00 C ATOM 253 C GLY A 931 6.492 5.286 -3.517 1.00 0.00 C ATOM 254 O GLY A 931 6.906 6.400 -3.200 1.00 0.00 O ATOM 0 H GLY A 931 6.951 2.162 -3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 931 8.494 4.494 -3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 931 7.367 3.789 -4.801 1.00 0.00 H new ATOM 258 N LEU A 932 5.212 4.975 -3.665 1.00 0.00 N ATOM 259 CA LEU A 932 4.172 5.967 -3.453 1.00 0.00 C ATOM 260 C LEU A 932 4.242 6.474 -2.011 1.00 0.00 C ATOM 261 O LEU A 932 4.076 7.667 -1.760 1.00 0.00 O ATOM 262 CB LEU A 932 2.805 5.401 -3.841 1.00 0.00 C ATOM 263 CG LEU A 932 1.979 4.803 -2.700 1.00 0.00 C ATOM 264 CD1 LEU A 932 2.705 3.618 -2.060 1.00 0.00 C ATOM 265 CD2 LEU A 932 1.610 5.873 -1.671 1.00 0.00 C ATOM 0 H LEU A 932 4.872 4.050 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 932 4.330 6.829 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 932 2.223 6.197 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 932 2.954 4.631 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 932 1.047 4.422 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 932 2.096 3.212 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 932 2.874 2.846 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 932 3.663 3.951 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 932 1.023 5.421 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 932 2.519 6.306 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 932 1.024 6.655 -2.154 1.00 0.00 H new ATOM 277 N VAL A 933 4.487 5.542 -1.102 1.00 0.00 N ATOM 278 CA VAL A 933 4.581 5.880 0.308 1.00 0.00 C ATOM 279 C VAL A 933 5.794 6.785 0.532 1.00 0.00 C ATOM 280 O VAL A 933 5.699 7.795 1.228 1.00 0.00 O ATOM 281 CB VAL A 933 4.624 4.603 1.150 1.00 0.00 C ATOM 282 CG1 VAL A 933 5.396 4.830 2.452 1.00 0.00 C ATOM 283 CG2 VAL A 933 3.213 4.084 1.433 1.00 0.00 C ATOM 0 H VAL A 933 4.623 4.554 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 933 3.699 6.435 0.627 1.00 0.00 H new ATOM 0 HB VAL A 933 5.152 3.842 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 933 5.411 3.907 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 933 6.418 5.131 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 933 4.909 5.614 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 933 3.273 3.176 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 933 2.649 4.842 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 933 2.710 3.864 0.491 1.00 0.00 H new ATOM 293 N LYS A 934 6.906 6.390 -0.070 1.00 0.00 N ATOM 294 CA LYS A 934 8.136 7.153 0.055 1.00 0.00 C ATOM 295 C LYS A 934 7.883 8.596 -0.385 1.00 0.00 C ATOM 296 O LYS A 934 8.257 9.537 0.315 1.00 0.00 O ATOM 297 CB LYS A 934 9.272 6.468 -0.708 1.00 0.00 C ATOM 298 CG LYS A 934 9.967 5.422 0.166 1.00 0.00 C ATOM 299 CD LYS A 934 11.089 4.722 -0.603 1.00 0.00 C ATOM 300 CE LYS A 934 11.052 3.210 -0.372 1.00 0.00 C ATOM 301 NZ LYS A 934 12.423 2.653 -0.362 1.00 0.00 N ATOM 0 H LYS A 934 6.981 5.551 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 934 8.458 7.188 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 934 8.877 5.993 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 934 9.997 7.214 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 934 10.375 5.900 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 934 9.239 4.685 0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 934 10.991 4.933 -1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 934 12.054 5.118 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 934 10.558 2.993 0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 934 10.464 2.731 -1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 12.379 1.626 -0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 12.882 2.844 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 12.973 3.097 0.401 1.00 0.00 H new ATOM 315 N ALA A 935 7.250 8.726 -1.541 1.00 0.00 N ATOM 316 CA ALA A 935 6.942 10.039 -2.083 1.00 0.00 C ATOM 317 C ALA A 935 5.881 10.711 -1.209 1.00 0.00 C ATOM 318 O ALA A 935 6.002 11.888 -0.873 1.00 0.00 O ATOM 319 CB ALA A 935 6.495 9.899 -3.539 1.00 0.00 C ATOM 0 H ALA A 935 6.942 7.944 -2.118 1.00 0.00 H new ATOM 0 HA ALA A 935 7.827 10.675 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.264 10.884 -3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.295 9.444 -4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.607 9.269 -3.588 1.00 0.00 H new ATOM 325 N VAL A 936 4.865 9.933 -0.866 1.00 0.00 N ATOM 326 CA VAL A 936 3.783 10.438 -0.038 1.00 0.00 C ATOM 327 C VAL A 936 4.354 11.385 1.020 1.00 0.00 C ATOM 328 O VAL A 936 3.777 12.435 1.295 1.00 0.00 O ATOM 329 CB VAL A 936 2.998 9.272 0.566 1.00 0.00 C ATOM 330 CG1 VAL A 936 2.497 9.616 1.970 1.00 0.00 C ATOM 331 CG2 VAL A 936 1.839 8.861 -0.345 1.00 0.00 C ATOM 0 H VAL A 936 4.768 8.957 -1.146 1.00 0.00 H new ATOM 0 HA VAL A 936 3.078 11.011 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 936 3.675 8.422 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.942 8.770 2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 936 3.347 9.836 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 936 1.844 10.487 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 936 1.297 8.030 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 936 1.163 9.706 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 936 2.230 8.554 -1.315 1.00 0.00 H new ATOM 341 N ILE A 937 5.483 10.978 1.583 1.00 0.00 N ATOM 342 CA ILE A 937 6.139 11.777 2.604 1.00 0.00 C ATOM 343 C ILE A 937 7.026 12.827 1.932 1.00 0.00 C ATOM 344 O ILE A 937 6.753 14.023 2.018 1.00 0.00 O ATOM 345 CB ILE A 937 6.889 10.878 3.589 1.00 0.00 C ATOM 346 CG1 ILE A 937 5.914 10.028 4.406 1.00 0.00 C ATOM 347 CG2 ILE A 937 7.821 11.699 4.481 1.00 0.00 C ATOM 348 CD1 ILE A 937 6.487 8.632 4.664 1.00 0.00 C ATOM 0 H ILE A 937 5.959 10.106 1.351 1.00 0.00 H new ATOM 0 HA ILE A 937 5.401 12.315 3.198 1.00 0.00 H new ATOM 0 HB ILE A 937 7.514 10.192 3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 937 5.704 10.520 5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 937 4.966 9.944 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 937 8.342 11.035 5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 937 8.550 12.222 3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 937 7.237 12.425 5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 937 5.774 8.048 5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 937 6.673 8.133 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 937 7.422 8.719 5.217 1.00 0.00 H new ATOM 360 N GLU A 938 8.071 12.342 1.278 1.00 0.00 N ATOM 361 CA GLU A 938 9.000 13.223 0.591 1.00 0.00 C ATOM 362 C GLU A 938 8.249 14.398 -0.040 1.00 0.00 C ATOM 363 O GLU A 938 8.702 15.539 0.033 1.00 0.00 O ATOM 364 CB GLU A 938 9.806 12.459 -0.461 1.00 0.00 C ATOM 365 CG GLU A 938 11.308 12.667 -0.259 1.00 0.00 C ATOM 366 CD GLU A 938 11.946 11.447 0.408 1.00 0.00 C ATOM 367 OE1 GLU A 938 11.973 11.432 1.657 1.00 0.00 O ATOM 368 OE2 GLU A 938 12.393 10.557 -0.347 1.00 0.00 O ATOM 0 H GLU A 938 8.295 11.349 1.209 1.00 0.00 H new ATOM 0 HA GLU A 938 9.704 13.618 1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 938 9.571 11.396 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 938 9.520 12.794 -1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 938 11.786 12.851 -1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 938 11.477 13.551 0.355 1.00 0.00 H new ATOM 375 N MET A 939 7.115 14.077 -0.645 1.00 0.00 N ATOM 376 CA MET A 939 6.297 15.091 -1.288 1.00 0.00 C ATOM 377 C MET A 939 6.175 16.337 -0.408 1.00 0.00 C ATOM 378 O MET A 939 6.609 17.420 -0.795 1.00 0.00 O ATOM 379 CB MET A 939 4.904 14.523 -1.566 1.00 0.00 C ATOM 380 CG MET A 939 4.917 13.619 -2.800 1.00 0.00 C ATOM 381 SD MET A 939 3.750 14.220 -4.010 1.00 0.00 S ATOM 382 CE MET A 939 2.317 14.452 -2.970 1.00 0.00 C ATOM 0 H MET A 939 6.743 13.129 -0.703 1.00 0.00 H new ATOM 0 HA MET A 939 6.776 15.377 -2.225 1.00 0.00 H new ATOM 0 HB2 MET A 939 4.558 13.958 -0.700 1.00 0.00 H new ATOM 0 HB3 MET A 939 4.198 15.340 -1.716 1.00 0.00 H new ATOM 0 HG2 MET A 939 5.918 13.592 -3.230 1.00 0.00 H new ATOM 0 HG3 MET A 939 4.665 12.598 -2.515 1.00 0.00 H new ATOM 0 HE1 MET A 939 1.417 14.197 -3.529 1.00 0.00 H new ATOM 0 HE2 MET A 939 2.395 13.808 -2.094 1.00 0.00 H new ATOM 0 HE3 MET A 939 2.264 15.493 -2.651 1.00 0.00 H new ATOM 392 N SER A 940 5.581 16.140 0.760 1.00 0.00 N ATOM 393 CA SER A 940 5.396 17.234 1.699 1.00 0.00 C ATOM 394 C SER A 940 6.718 17.975 1.906 1.00 0.00 C ATOM 395 O SER A 940 6.736 19.201 2.015 1.00 0.00 O ATOM 396 CB SER A 940 4.857 16.725 3.038 1.00 0.00 C ATOM 397 OG SER A 940 3.687 17.430 3.445 1.00 0.00 O ATOM 0 H SER A 940 5.222 15.240 1.078 1.00 0.00 H new ATOM 0 HA SER A 940 4.662 17.923 1.281 1.00 0.00 H new ATOM 0 HB2 SER A 940 4.630 15.662 2.957 1.00 0.00 H new ATOM 0 HB3 SER A 940 5.627 16.829 3.802 1.00 0.00 H new ATOM 0 HG SER A 940 3.928 18.107 4.111 1.00 0.00 H new ATOM 403 N SER A 941 7.792 17.202 1.953 1.00 0.00 N ATOM 404 CA SER A 941 9.116 17.770 2.145 1.00 0.00 C ATOM 405 C SER A 941 9.523 18.577 0.910 1.00 0.00 C ATOM 406 O SER A 941 9.998 19.705 1.031 1.00 0.00 O ATOM 407 CB SER A 941 10.149 16.677 2.429 1.00 0.00 C ATOM 408 OG SER A 941 10.903 16.341 1.267 1.00 0.00 O ATOM 0 H SER A 941 7.773 16.186 1.861 1.00 0.00 H new ATOM 0 HA SER A 941 9.082 18.433 3.010 1.00 0.00 H new ATOM 0 HB2 SER A 941 10.825 17.012 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 941 9.642 15.787 2.802 1.00 0.00 H new ATOM 0 HG SER A 941 10.351 15.801 0.664 1.00 0.00 H new ATOM 414 N LYS A 942 9.321 17.968 -0.249 1.00 0.00 N ATOM 415 CA LYS A 942 9.661 18.616 -1.504 1.00 0.00 C ATOM 416 C LYS A 942 8.450 19.401 -2.012 1.00 0.00 C ATOM 417 O LYS A 942 8.361 19.712 -3.198 1.00 0.00 O ATOM 418 CB LYS A 942 10.195 17.592 -2.508 1.00 0.00 C ATOM 419 CG LYS A 942 9.069 16.698 -3.030 1.00 0.00 C ATOM 420 CD LYS A 942 9.332 16.273 -4.476 1.00 0.00 C ATOM 421 CE LYS A 942 9.082 17.432 -5.443 1.00 0.00 C ATOM 422 NZ LYS A 942 10.354 17.890 -6.044 1.00 0.00 N ATOM 0 H LYS A 942 8.926 17.033 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 942 10.468 19.334 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 942 10.670 18.109 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 942 10.961 16.979 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 942 8.979 15.814 -2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 942 8.120 17.231 -2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 942 10.361 15.927 -4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 942 8.687 15.433 -4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 942 8.395 17.116 -6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 942 8.605 18.257 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 10.315 18.918 -6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 11.141 17.667 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 10.501 17.408 -6.954 1.00 0.00 H new ATOM 436 N ILE A 943 7.549 19.700 -1.088 1.00 0.00 N ATOM 437 CA ILE A 943 6.347 20.443 -1.427 1.00 0.00 C ATOM 438 C ILE A 943 6.566 21.926 -1.119 1.00 0.00 C ATOM 439 O ILE A 943 6.517 22.764 -2.018 1.00 0.00 O ATOM 440 CB ILE A 943 5.129 19.842 -0.723 1.00 0.00 C ATOM 441 CG1 ILE A 943 4.391 18.866 -1.641 1.00 0.00 C ATOM 442 CG2 ILE A 943 4.205 20.940 -0.193 1.00 0.00 C ATOM 443 CD1 ILE A 943 3.430 17.982 -0.844 1.00 0.00 C ATOM 0 H ILE A 943 7.627 19.441 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 943 6.139 20.366 -2.494 1.00 0.00 H new ATOM 0 HB ILE A 943 5.479 19.272 0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 943 3.837 19.421 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 943 5.112 18.242 -2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 943 3.347 20.486 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 943 4.749 21.561 0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 943 3.860 21.557 -1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 943 2.919 17.298 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 943 3.990 17.410 -0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 943 2.695 18.608 -0.337 1.00 0.00 H new ATOM 455 N GLN A 944 6.802 22.204 0.155 1.00 0.00 N ATOM 456 CA GLN A 944 7.029 23.571 0.592 1.00 0.00 C ATOM 457 C GLN A 944 8.032 24.265 -0.332 1.00 0.00 C ATOM 458 O GLN A 944 7.793 25.383 -0.786 1.00 0.00 O ATOM 459 CB GLN A 944 7.504 23.610 2.046 1.00 0.00 C ATOM 460 CG GLN A 944 6.371 24.033 2.982 1.00 0.00 C ATOM 461 CD GLN A 944 6.798 25.210 3.863 1.00 0.00 C ATOM 462 OE1 GLN A 944 7.543 25.065 4.818 1.00 0.00 O ATOM 463 NE2 GLN A 944 6.286 26.379 3.489 1.00 0.00 N ATOM 0 H GLN A 944 6.841 21.506 0.898 1.00 0.00 H new ATOM 0 HA GLN A 944 6.083 24.110 0.539 1.00 0.00 H new ATOM 0 HB2 GLN A 944 7.874 22.627 2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 944 8.338 24.305 2.141 1.00 0.00 H new ATOM 0 HG2 GLN A 944 5.495 24.312 2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 944 6.080 23.191 3.610 1.00 0.00 H new ATOM 0 HE21 GLN A 944 5.668 26.429 2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 944 6.511 27.225 4.012 1.00 0.00 H new ATOM 472 N PRO A 945 9.163 23.554 -0.589 1.00 0.00 N ATOM 473 CA PRO A 945 10.203 24.090 -1.451 1.00 0.00 C ATOM 474 C PRO A 945 9.785 24.024 -2.921 1.00 0.00 C ATOM 475 O PRO A 945 10.407 24.653 -3.776 1.00 0.00 O ATOM 476 CB PRO A 945 11.435 23.254 -1.146 1.00 0.00 C ATOM 477 CG PRO A 945 10.926 21.990 -0.473 1.00 0.00 C ATOM 478 CD PRO A 945 9.480 22.228 -0.069 1.00 0.00 C ATOM 0 HA PRO A 945 10.399 25.146 -1.267 1.00 0.00 H new ATOM 0 HB2 PRO A 945 11.982 23.017 -2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 945 12.122 23.794 -0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 945 10.998 21.140 -1.152 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.532 21.752 0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 945 8.821 21.469 -0.491 1.00 0.00 H new ATOM 0 HD3 PRO A 945 9.360 22.188 1.014 1.00 0.00 H new ATOM 486 N ALA A 946 8.734 23.257 -3.171 1.00 0.00 N ATOM 487 CA ALA A 946 8.225 23.101 -4.523 1.00 0.00 C ATOM 488 C ALA A 946 7.185 24.187 -4.800 1.00 0.00 C ATOM 489 O ALA A 946 6.320 24.451 -3.966 1.00 0.00 O ATOM 490 CB ALA A 946 7.656 21.691 -4.695 1.00 0.00 C ATOM 0 H ALA A 946 8.221 22.737 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 946 9.027 23.220 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 946 7.274 21.574 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 946 8.442 20.957 -4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.846 21.536 -3.982 1.00 0.00 H new ATOM 496 N PRO A 947 7.305 24.804 -6.006 1.00 0.00 N ATOM 497 CA PRO A 947 6.385 25.856 -6.405 1.00 0.00 C ATOM 498 C PRO A 947 5.026 25.275 -6.799 1.00 0.00 C ATOM 499 O PRO A 947 4.848 24.058 -6.818 1.00 0.00 O ATOM 500 CB PRO A 947 7.080 26.573 -7.551 1.00 0.00 C ATOM 501 CG PRO A 947 8.146 25.615 -8.057 1.00 0.00 C ATOM 502 CD PRO A 947 8.317 24.518 -7.019 1.00 0.00 C ATOM 0 HA PRO A 947 6.163 26.551 -5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 947 6.373 26.823 -8.342 1.00 0.00 H new ATOM 0 HB3 PRO A 947 7.525 27.509 -7.214 1.00 0.00 H new ATOM 0 HG2 PRO A 947 7.853 25.190 -9.017 1.00 0.00 H new ATOM 0 HG3 PRO A 947 9.088 26.141 -8.216 1.00 0.00 H new ATOM 0 HD2 PRO A 947 8.170 23.531 -7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 947 9.320 24.530 -6.591 1.00 0.00 H new ATOM 510 N PRO A 948 4.076 26.197 -7.112 1.00 0.00 N ATOM 511 CA PRO A 948 2.738 25.789 -7.505 1.00 0.00 C ATOM 512 C PRO A 948 2.729 25.243 -8.934 1.00 0.00 C ATOM 513 O PRO A 948 1.819 24.508 -9.316 1.00 0.00 O ATOM 514 CB PRO A 948 1.883 27.035 -7.340 1.00 0.00 C ATOM 515 CG PRO A 948 2.852 28.205 -7.309 1.00 0.00 C ATOM 516 CD PRO A 948 4.251 27.646 -7.101 1.00 0.00 C ATOM 0 HA PRO A 948 2.351 24.972 -6.895 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.176 27.135 -8.164 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.298 26.988 -6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 948 2.801 28.768 -8.241 1.00 0.00 H new ATOM 0 HG3 PRO A 948 2.593 28.894 -6.505 1.00 0.00 H new ATOM 0 HD2 PRO A 948 4.928 27.969 -7.892 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.677 27.986 -6.157 1.00 0.00 H new ATOM 524 N GLU A 949 3.752 25.622 -9.685 1.00 0.00 N ATOM 525 CA GLU A 949 3.873 25.179 -11.064 1.00 0.00 C ATOM 526 C GLU A 949 4.538 23.802 -11.123 1.00 0.00 C ATOM 527 O GLU A 949 4.553 23.160 -12.172 1.00 0.00 O ATOM 528 CB GLU A 949 4.648 26.198 -11.901 1.00 0.00 C ATOM 529 CG GLU A 949 3.737 26.868 -12.931 1.00 0.00 C ATOM 530 CD GLU A 949 4.483 27.117 -14.244 1.00 0.00 C ATOM 531 OE1 GLU A 949 5.223 28.123 -14.293 1.00 0.00 O ATOM 532 OE2 GLU A 949 4.296 26.296 -15.168 1.00 0.00 O ATOM 0 H GLU A 949 4.505 26.231 -9.365 1.00 0.00 H new ATOM 0 HA GLU A 949 2.872 25.096 -11.487 1.00 0.00 H new ATOM 0 HB2 GLU A 949 5.083 26.955 -11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 949 5.475 25.702 -12.410 1.00 0.00 H new ATOM 0 HG2 GLU A 949 2.867 26.238 -13.117 1.00 0.00 H new ATOM 0 HG3 GLU A 949 3.367 27.813 -12.534 1.00 0.00 H new ATOM 539 N GLU A 950 5.073 23.389 -9.983 1.00 0.00 N ATOM 540 CA GLU A 950 5.738 22.101 -9.891 1.00 0.00 C ATOM 541 C GLU A 950 4.998 21.190 -8.909 1.00 0.00 C ATOM 542 O GLU A 950 5.365 20.029 -8.736 1.00 0.00 O ATOM 543 CB GLU A 950 7.204 22.268 -9.487 1.00 0.00 C ATOM 544 CG GLU A 950 8.126 21.503 -10.439 1.00 0.00 C ATOM 545 CD GLU A 950 8.855 22.462 -11.383 1.00 0.00 C ATOM 546 OE1 GLU A 950 8.240 22.827 -12.408 1.00 0.00 O ATOM 547 OE2 GLU A 950 10.012 22.808 -11.057 1.00 0.00 O ATOM 0 H GLU A 950 5.059 23.924 -9.115 1.00 0.00 H new ATOM 0 HA GLU A 950 5.718 21.633 -10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.468 23.326 -9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.347 21.908 -8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 950 8.853 20.929 -9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 950 7.543 20.788 -11.020 1.00 0.00 H new ATOM 554 N TYR A 951 3.969 21.752 -8.291 1.00 0.00 N ATOM 555 CA TYR A 951 3.175 21.005 -7.331 1.00 0.00 C ATOM 556 C TYR A 951 1.979 20.336 -8.011 1.00 0.00 C ATOM 557 O TYR A 951 1.651 19.189 -7.710 1.00 0.00 O ATOM 558 CB TYR A 951 2.662 22.032 -6.319 1.00 0.00 C ATOM 559 CG TYR A 951 1.978 21.414 -5.097 1.00 0.00 C ATOM 560 CD1 TYR A 951 1.968 20.043 -4.932 1.00 0.00 C ATOM 561 CD2 TYR A 951 1.371 22.226 -4.162 1.00 0.00 C ATOM 562 CE1 TYR A 951 1.325 19.462 -3.782 1.00 0.00 C ATOM 563 CE2 TYR A 951 0.728 21.644 -3.012 1.00 0.00 C ATOM 564 CZ TYR A 951 0.736 20.291 -2.879 1.00 0.00 C ATOM 565 OH TYR A 951 0.128 19.742 -1.794 1.00 0.00 O ATOM 0 H TYR A 951 3.667 22.715 -8.437 1.00 0.00 H new ATOM 0 HA TYR A 951 3.773 20.221 -6.866 1.00 0.00 H new ATOM 0 HB2 TYR A 951 3.498 22.645 -5.983 1.00 0.00 H new ATOM 0 HB3 TYR A 951 1.959 22.698 -6.818 1.00 0.00 H new ATOM 0 HD1 TYR A 951 2.442 19.407 -5.665 1.00 0.00 H new ATOM 0 HD2 TYR A 951 1.378 23.298 -4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 951 1.311 18.392 -3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 951 0.250 22.269 -2.272 1.00 0.00 H new ATOM 0 HH TYR A 951 0.807 19.468 -1.142 1.00 0.00 H new ATOM 575 N VAL A 952 1.360 21.081 -8.915 1.00 0.00 N ATOM 576 CA VAL A 952 0.207 20.575 -9.640 1.00 0.00 C ATOM 577 C VAL A 952 0.526 19.183 -10.189 1.00 0.00 C ATOM 578 O VAL A 952 -0.267 18.255 -10.038 1.00 0.00 O ATOM 579 CB VAL A 952 -0.204 21.567 -10.729 1.00 0.00 C ATOM 580 CG1 VAL A 952 -0.403 20.858 -12.070 1.00 0.00 C ATOM 581 CG2 VAL A 952 -1.462 22.337 -10.324 1.00 0.00 C ATOM 0 H VAL A 952 1.635 22.032 -9.162 1.00 0.00 H new ATOM 0 HA VAL A 952 -0.649 20.473 -8.973 1.00 0.00 H new ATOM 0 HB VAL A 952 0.605 22.287 -10.848 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -0.695 21.586 -12.827 1.00 0.00 H new ATOM 0 HG12 VAL A 952 0.528 20.377 -12.369 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -1.185 20.105 -11.971 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -1.732 23.035 -11.116 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -2.281 21.636 -10.163 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -1.270 22.889 -9.404 1.00 0.00 H new ATOM 591 N PRO A 953 1.721 19.079 -10.831 1.00 0.00 N ATOM 592 CA PRO A 953 2.155 17.816 -11.403 1.00 0.00 C ATOM 593 C PRO A 953 2.619 16.849 -10.311 1.00 0.00 C ATOM 594 O PRO A 953 2.175 15.703 -10.262 1.00 0.00 O ATOM 595 CB PRO A 953 3.262 18.185 -12.377 1.00 0.00 C ATOM 596 CG PRO A 953 3.723 19.577 -11.976 1.00 0.00 C ATOM 597 CD PRO A 953 2.686 20.156 -11.028 1.00 0.00 C ATOM 0 HA PRO A 953 1.350 17.288 -11.915 1.00 0.00 H new ATOM 0 HB2 PRO A 953 4.084 17.471 -12.323 1.00 0.00 H new ATOM 0 HB3 PRO A 953 2.898 18.175 -13.404 1.00 0.00 H new ATOM 0 HG2 PRO A 953 4.699 19.531 -11.493 1.00 0.00 H new ATOM 0 HG3 PRO A 953 3.832 20.211 -12.856 1.00 0.00 H new ATOM 0 HD2 PRO A 953 3.138 20.460 -10.084 1.00 0.00 H new ATOM 0 HD3 PRO A 953 2.211 21.040 -11.453 1.00 0.00 H new ATOM 605 N MET A 954 3.505 17.348 -9.461 1.00 0.00 N ATOM 606 CA MET A 954 4.033 16.543 -8.373 1.00 0.00 C ATOM 607 C MET A 954 2.977 15.567 -7.850 1.00 0.00 C ATOM 608 O MET A 954 3.229 14.367 -7.755 1.00 0.00 O ATOM 609 CB MET A 954 4.490 17.459 -7.235 1.00 0.00 C ATOM 610 CG MET A 954 5.929 17.145 -6.824 1.00 0.00 C ATOM 611 SD MET A 954 6.094 17.254 -5.049 1.00 0.00 S ATOM 612 CE MET A 954 5.475 18.906 -4.781 1.00 0.00 C ATOM 0 H MET A 954 3.870 18.299 -9.504 1.00 0.00 H new ATOM 0 HA MET A 954 4.878 15.967 -8.750 1.00 0.00 H new ATOM 0 HB2 MET A 954 4.417 18.500 -7.549 1.00 0.00 H new ATOM 0 HB3 MET A 954 3.828 17.338 -6.377 1.00 0.00 H new ATOM 0 HG2 MET A 954 6.203 16.146 -7.162 1.00 0.00 H new ATOM 0 HG3 MET A 954 6.614 17.843 -7.305 1.00 0.00 H new ATOM 0 HE1 MET A 954 6.048 19.385 -3.987 1.00 0.00 H new ATOM 0 HE2 MET A 954 5.573 19.485 -5.699 1.00 0.00 H new ATOM 0 HE3 MET A 954 4.425 18.859 -4.493 1.00 0.00 H new ATOM 622 N VAL A 955 1.817 16.119 -7.525 1.00 0.00 N ATOM 623 CA VAL A 955 0.722 15.312 -7.014 1.00 0.00 C ATOM 624 C VAL A 955 0.246 14.354 -8.108 1.00 0.00 C ATOM 625 O VAL A 955 0.123 13.153 -7.876 1.00 0.00 O ATOM 626 CB VAL A 955 -0.393 16.217 -6.486 1.00 0.00 C ATOM 627 CG1 VAL A 955 -1.578 16.249 -7.453 1.00 0.00 C ATOM 628 CG2 VAL A 955 -0.838 15.781 -5.088 1.00 0.00 C ATOM 0 H VAL A 955 1.612 17.115 -7.606 1.00 0.00 H new ATOM 0 HA VAL A 955 1.056 14.705 -6.173 1.00 0.00 H new ATOM 0 HB VAL A 955 0.005 17.229 -6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.356 16.899 -7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -1.248 16.629 -8.420 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.975 15.241 -7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.631 16.441 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -1.209 14.757 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.009 15.834 -4.404 1.00 0.00 H new ATOM 638 N LYS A 956 -0.008 14.922 -9.278 1.00 0.00 N ATOM 639 CA LYS A 956 -0.468 14.134 -10.409 1.00 0.00 C ATOM 640 C LYS A 956 0.292 12.807 -10.442 1.00 0.00 C ATOM 641 O LYS A 956 -0.269 11.775 -10.806 1.00 0.00 O ATOM 642 CB LYS A 956 -0.355 14.940 -11.705 1.00 0.00 C ATOM 643 CG LYS A 956 -1.717 15.069 -12.390 1.00 0.00 C ATOM 644 CD LYS A 956 -2.689 15.878 -11.530 1.00 0.00 C ATOM 645 CE LYS A 956 -3.943 16.251 -12.323 1.00 0.00 C ATOM 646 NZ LYS A 956 -4.139 17.718 -12.323 1.00 0.00 N ATOM 0 H LYS A 956 0.096 15.919 -9.467 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.526 13.894 -10.302 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.042 15.931 -11.488 1.00 0.00 H new ATOM 0 HB3 LYS A 956 0.351 14.455 -12.379 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -1.596 15.551 -13.360 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -2.130 14.077 -12.576 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -2.970 15.299 -10.650 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -2.198 16.783 -11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -3.853 15.890 -13.348 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -4.814 15.762 -11.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -4.994 17.954 -12.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -4.246 18.054 -11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -3.315 18.178 -12.759 1.00 0.00 H new ATOM 660 N GLU A 957 1.558 12.876 -10.057 1.00 0.00 N ATOM 661 CA GLU A 957 2.401 11.693 -10.038 1.00 0.00 C ATOM 662 C GLU A 957 1.962 10.747 -8.918 1.00 0.00 C ATOM 663 O GLU A 957 1.688 9.573 -9.164 1.00 0.00 O ATOM 664 CB GLU A 957 3.876 12.072 -9.889 1.00 0.00 C ATOM 665 CG GLU A 957 4.700 11.537 -11.062 1.00 0.00 C ATOM 666 CD GLU A 957 4.746 10.008 -11.048 1.00 0.00 C ATOM 667 OE1 GLU A 957 5.465 9.470 -10.179 1.00 0.00 O ATOM 668 OE2 GLU A 957 4.060 9.412 -11.906 1.00 0.00 O ATOM 0 H GLU A 957 2.020 13.734 -9.756 1.00 0.00 H new ATOM 0 HA GLU A 957 2.288 11.175 -10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 957 3.973 13.156 -9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 957 4.266 11.671 -8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 957 4.269 11.883 -12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 957 5.713 11.935 -11.011 1.00 0.00 H new ATOM 675 N VAL A 958 1.910 11.293 -7.712 1.00 0.00 N ATOM 676 CA VAL A 958 1.510 10.513 -6.554 1.00 0.00 C ATOM 677 C VAL A 958 0.262 9.697 -6.900 1.00 0.00 C ATOM 678 O VAL A 958 0.161 8.526 -6.537 1.00 0.00 O ATOM 679 CB VAL A 958 1.307 11.432 -5.348 1.00 0.00 C ATOM 680 CG1 VAL A 958 -0.177 11.746 -5.141 1.00 0.00 C ATOM 681 CG2 VAL A 958 1.919 10.823 -4.085 1.00 0.00 C ATOM 0 H VAL A 958 2.138 12.267 -7.512 1.00 0.00 H new ATOM 0 HA VAL A 958 2.295 9.808 -6.280 1.00 0.00 H new ATOM 0 HB VAL A 958 1.823 12.370 -5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -0.293 12.401 -4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.571 12.242 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -0.725 10.819 -4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 958 1.761 11.497 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 958 1.445 9.864 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 958 2.988 10.674 -4.234 1.00 0.00 H new ATOM 691 N GLY A 959 -0.656 10.348 -7.598 1.00 0.00 N ATOM 692 CA GLY A 959 -1.893 9.698 -7.998 1.00 0.00 C ATOM 693 C GLY A 959 -1.611 8.470 -8.867 1.00 0.00 C ATOM 694 O GLY A 959 -2.214 7.416 -8.673 1.00 0.00 O ATOM 0 H GLY A 959 -0.568 11.319 -7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -2.454 9.400 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -2.517 10.402 -8.549 1.00 0.00 H new ATOM 698 N LEU A 960 -0.694 8.649 -9.807 1.00 0.00 N ATOM 699 CA LEU A 960 -0.325 7.569 -10.707 1.00 0.00 C ATOM 700 C LEU A 960 0.218 6.394 -9.891 1.00 0.00 C ATOM 701 O LEU A 960 -0.223 5.259 -10.061 1.00 0.00 O ATOM 702 CB LEU A 960 0.643 8.073 -11.779 1.00 0.00 C ATOM 703 CG LEU A 960 0.205 7.861 -13.230 1.00 0.00 C ATOM 704 CD1 LEU A 960 0.596 9.057 -14.101 1.00 0.00 C ATOM 705 CD2 LEU A 960 0.757 6.545 -13.782 1.00 0.00 C ATOM 0 H LEU A 960 -0.196 9.525 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 960 -1.200 7.206 -11.246 1.00 0.00 H new ATOM 0 HB2 LEU A 960 0.806 9.139 -11.621 1.00 0.00 H new ATOM 0 HB3 LEU A 960 1.604 7.579 -11.634 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.882 7.789 -13.252 1.00 0.00 H new ATOM 0 HD11 LEU A 960 0.273 8.881 -15.127 1.00 0.00 H new ATOM 0 HD12 LEU A 960 0.115 9.958 -13.719 1.00 0.00 H new ATOM 0 HD13 LEU A 960 1.678 9.186 -14.078 1.00 0.00 H new ATOM 0 HD21 LEU A 960 0.431 6.418 -14.814 1.00 0.00 H new ATOM 0 HD22 LEU A 960 1.846 6.563 -13.745 1.00 0.00 H new ATOM 0 HD23 LEU A 960 0.387 5.715 -13.180 1.00 0.00 H new ATOM 717 N ALA A 961 1.168 6.708 -9.022 1.00 0.00 N ATOM 718 CA ALA A 961 1.776 5.692 -8.179 1.00 0.00 C ATOM 719 C ALA A 961 0.677 4.885 -7.487 1.00 0.00 C ATOM 720 O ALA A 961 0.693 3.655 -7.515 1.00 0.00 O ATOM 721 CB ALA A 961 2.727 6.358 -7.182 1.00 0.00 C ATOM 0 H ALA A 961 1.531 7.651 -8.883 1.00 0.00 H new ATOM 0 HA ALA A 961 2.366 4.998 -8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 961 3.183 5.596 -6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 961 3.506 6.893 -7.724 1.00 0.00 H new ATOM 0 HB3 ALA A 961 2.170 7.059 -6.561 1.00 0.00 H new ATOM 727 N LEU A 962 -0.253 5.609 -6.881 1.00 0.00 N ATOM 728 CA LEU A 962 -1.358 4.976 -6.182 1.00 0.00 C ATOM 729 C LEU A 962 -2.093 4.039 -7.143 1.00 0.00 C ATOM 730 O LEU A 962 -2.293 2.864 -6.838 1.00 0.00 O ATOM 731 CB LEU A 962 -2.262 6.031 -5.541 1.00 0.00 C ATOM 732 CG LEU A 962 -1.704 6.725 -4.297 1.00 0.00 C ATOM 733 CD1 LEU A 962 -2.127 8.195 -4.253 1.00 0.00 C ATOM 734 CD2 LEU A 962 -2.104 5.975 -3.025 1.00 0.00 C ATOM 0 H LEU A 962 -0.264 6.629 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 962 -0.988 4.364 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -2.485 6.792 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -3.208 5.558 -5.276 1.00 0.00 H new ATOM 0 HG LEU A 962 -0.616 6.705 -4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -1.717 8.665 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -1.751 8.709 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -3.215 8.260 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -1.695 6.489 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -3.191 5.942 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.712 4.959 -3.063 1.00 0.00 H new ATOM 746 N ARG A 963 -2.475 4.593 -8.284 1.00 0.00 N ATOM 747 CA ARG A 963 -3.183 3.822 -9.291 1.00 0.00 C ATOM 748 C ARG A 963 -2.454 2.504 -9.560 1.00 0.00 C ATOM 749 O ARG A 963 -3.042 1.430 -9.445 1.00 0.00 O ATOM 750 CB ARG A 963 -3.306 4.605 -10.599 1.00 0.00 C ATOM 751 CG ARG A 963 -4.641 4.315 -11.289 1.00 0.00 C ATOM 752 CD ARG A 963 -5.498 5.579 -11.380 1.00 0.00 C ATOM 753 NE ARG A 963 -5.396 6.163 -12.736 1.00 0.00 N ATOM 754 CZ ARG A 963 -5.905 5.597 -13.838 1.00 0.00 C ATOM 755 NH1 ARG A 963 -6.554 4.428 -13.752 1.00 0.00 N ATOM 756 NH2 ARG A 963 -5.764 6.199 -15.027 1.00 0.00 N ATOM 0 H ARG A 963 -2.307 5.568 -8.533 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.183 3.617 -8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -3.221 5.673 -10.397 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -2.484 4.340 -11.264 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -4.459 3.922 -12.289 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -5.180 3.545 -10.737 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -6.538 5.340 -11.155 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -5.170 6.305 -10.637 1.00 0.00 H new ATOM 0 HE ARG A 963 -4.907 7.053 -12.838 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -6.660 3.969 -12.847 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -6.942 3.997 -14.591 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -5.269 7.088 -15.093 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -6.152 5.768 -15.866 1.00 0.00 H new ATOM 770 N THR A 964 -1.183 2.630 -9.914 1.00 0.00 N ATOM 771 CA THR A 964 -0.367 1.462 -10.201 1.00 0.00 C ATOM 772 C THR A 964 -0.474 0.445 -9.064 1.00 0.00 C ATOM 773 O THR A 964 -0.431 -0.762 -9.299 1.00 0.00 O ATOM 774 CB THR A 964 1.064 1.937 -10.459 1.00 0.00 C ATOM 775 OG1 THR A 964 1.019 2.476 -11.777 1.00 0.00 O ATOM 776 CG2 THR A 964 2.057 0.777 -10.564 1.00 0.00 C ATOM 0 H THR A 964 -0.699 3.523 -10.009 1.00 0.00 H new ATOM 0 HA THR A 964 -0.718 0.943 -11.093 1.00 0.00 H new ATOM 0 HB THR A 964 1.373 2.608 -9.657 1.00 0.00 H new ATOM 0 HG1 THR A 964 1.907 2.809 -12.025 1.00 0.00 H new ATOM 0 HG21 THR A 964 3.057 1.170 -10.747 1.00 0.00 H new ATOM 0 HG22 THR A 964 2.055 0.211 -9.633 1.00 0.00 H new ATOM 0 HG23 THR A 964 1.767 0.123 -11.387 1.00 0.00 H new ATOM 784 N LEU A 965 -0.612 0.969 -7.855 1.00 0.00 N ATOM 785 CA LEU A 965 -0.725 0.121 -6.680 1.00 0.00 C ATOM 786 C LEU A 965 -1.885 -0.858 -6.873 1.00 0.00 C ATOM 787 O LEU A 965 -1.717 -2.065 -6.708 1.00 0.00 O ATOM 788 CB LEU A 965 -0.843 0.972 -5.414 1.00 0.00 C ATOM 789 CG LEU A 965 0.074 0.579 -4.254 1.00 0.00 C ATOM 790 CD1 LEU A 965 1.508 1.050 -4.504 1.00 0.00 C ATOM 791 CD2 LEU A 965 -0.475 1.096 -2.922 1.00 0.00 C ATOM 0 H LEU A 965 -0.648 1.970 -7.663 1.00 0.00 H new ATOM 0 HA LEU A 965 0.179 -0.475 -6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -0.638 2.010 -5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -1.875 0.929 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 965 0.099 -0.509 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 965 2.139 0.758 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 965 1.887 0.593 -5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 965 1.522 2.135 -4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 965 0.195 0.803 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -0.549 2.183 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.463 0.671 -2.746 1.00 0.00 H new ATOM 803 N LEU A 966 -3.036 -0.301 -7.220 1.00 0.00 N ATOM 804 CA LEU A 966 -4.223 -1.110 -7.437 1.00 0.00 C ATOM 805 C LEU A 966 -3.873 -2.288 -8.348 1.00 0.00 C ATOM 806 O LEU A 966 -4.273 -3.421 -8.084 1.00 0.00 O ATOM 807 CB LEU A 966 -5.371 -0.246 -7.964 1.00 0.00 C ATOM 808 CG LEU A 966 -5.989 0.732 -6.962 1.00 0.00 C ATOM 809 CD1 LEU A 966 -6.223 0.056 -5.609 1.00 0.00 C ATOM 810 CD2 LEU A 966 -5.135 1.995 -6.831 1.00 0.00 C ATOM 0 H LEU A 966 -3.172 0.701 -7.356 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.576 -1.529 -6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -5.008 0.323 -8.820 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -6.158 -0.906 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 966 -6.963 1.040 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -6.663 0.773 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -6.901 -0.788 -5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -5.273 -0.299 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -5.596 2.673 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -4.137 1.725 -6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -5.063 2.487 -7.801 1.00 0.00 H new ATOM 822 N ALA A 967 -3.130 -1.980 -9.401 1.00 0.00 N ATOM 823 CA ALA A 967 -2.722 -3.000 -10.352 1.00 0.00 C ATOM 824 C ALA A 967 -1.752 -3.967 -9.671 1.00 0.00 C ATOM 825 O ALA A 967 -2.052 -5.151 -9.524 1.00 0.00 O ATOM 826 CB ALA A 967 -2.109 -2.332 -11.585 1.00 0.00 C ATOM 0 H ALA A 967 -2.800 -1.039 -9.616 1.00 0.00 H new ATOM 0 HA ALA A 967 -3.583 -3.578 -10.688 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -1.803 -3.097 -12.299 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -2.847 -1.677 -12.049 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.240 -1.745 -11.287 1.00 0.00 H new ATOM 832 N THR A 968 -0.609 -3.428 -9.274 1.00 0.00 N ATOM 833 CA THR A 968 0.407 -4.229 -8.612 1.00 0.00 C ATOM 834 C THR A 968 -0.233 -5.138 -7.561 1.00 0.00 C ATOM 835 O THR A 968 0.126 -6.309 -7.447 1.00 0.00 O ATOM 836 CB THR A 968 1.457 -3.278 -8.035 1.00 0.00 C ATOM 837 OG1 THR A 968 0.741 -2.517 -7.066 1.00 0.00 O ATOM 838 CG2 THR A 968 1.927 -2.237 -9.053 1.00 0.00 C ATOM 0 H THR A 968 -0.364 -2.446 -9.398 1.00 0.00 H new ATOM 0 HA THR A 968 0.905 -4.897 -9.315 1.00 0.00 H new ATOM 0 HB THR A 968 2.313 -3.854 -7.683 1.00 0.00 H new ATOM 0 HG1 THR A 968 -0.209 -2.495 -7.304 1.00 0.00 H new ATOM 0 HG21 THR A 968 2.671 -1.588 -8.592 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.368 -2.742 -9.912 1.00 0.00 H new ATOM 0 HG23 THR A 968 1.077 -1.639 -9.381 1.00 0.00 H new ATOM 846 N VAL A 969 -1.170 -4.565 -6.820 1.00 0.00 N ATOM 847 CA VAL A 969 -1.863 -5.309 -5.782 1.00 0.00 C ATOM 848 C VAL A 969 -2.493 -6.562 -6.393 1.00 0.00 C ATOM 849 O VAL A 969 -2.349 -7.659 -5.856 1.00 0.00 O ATOM 850 CB VAL A 969 -2.882 -4.407 -5.083 1.00 0.00 C ATOM 851 CG1 VAL A 969 -3.780 -5.218 -4.146 1.00 0.00 C ATOM 852 CG2 VAL A 969 -2.185 -3.273 -4.330 1.00 0.00 C ATOM 0 H VAL A 969 -1.466 -3.594 -6.918 1.00 0.00 H new ATOM 0 HA VAL A 969 -1.162 -5.639 -5.015 1.00 0.00 H new ATOM 0 HB VAL A 969 -3.515 -3.960 -5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -4.495 -4.553 -3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -4.317 -5.973 -4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -3.168 -5.706 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -2.932 -2.647 -3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -1.516 -3.692 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -1.609 -2.670 -5.032 1.00 0.00 H new ATOM 862 N ASP A 970 -3.178 -6.357 -7.509 1.00 0.00 N ATOM 863 CA ASP A 970 -3.831 -7.456 -8.199 1.00 0.00 C ATOM 864 C ASP A 970 -2.812 -8.569 -8.454 1.00 0.00 C ATOM 865 O ASP A 970 -3.185 -9.726 -8.639 1.00 0.00 O ATOM 866 CB ASP A 970 -4.388 -7.005 -9.550 1.00 0.00 C ATOM 867 CG ASP A 970 -5.580 -7.816 -10.062 1.00 0.00 C ATOM 868 OD1 ASP A 970 -5.462 -9.060 -10.063 1.00 0.00 O ATOM 869 OD2 ASP A 970 -6.583 -7.173 -10.439 1.00 0.00 O ATOM 0 H ASP A 970 -3.295 -5.446 -7.952 1.00 0.00 H new ATOM 0 HA ASP A 970 -4.650 -7.809 -7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -4.686 -5.959 -9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -3.589 -7.055 -10.290 1.00 0.00 H new ATOM 874 N GLU A 971 -1.546 -8.179 -8.456 1.00 0.00 N ATOM 875 CA GLU A 971 -0.471 -9.129 -8.686 1.00 0.00 C ATOM 876 C GLU A 971 -0.169 -9.909 -7.405 1.00 0.00 C ATOM 877 O GLU A 971 0.404 -10.996 -7.456 1.00 0.00 O ATOM 878 CB GLU A 971 0.782 -8.423 -9.207 1.00 0.00 C ATOM 879 CG GLU A 971 1.534 -9.307 -10.205 1.00 0.00 C ATOM 880 CD GLU A 971 2.383 -8.460 -11.155 1.00 0.00 C ATOM 881 OE1 GLU A 971 3.271 -7.746 -10.640 1.00 0.00 O ATOM 882 OE2 GLU A 971 2.126 -8.545 -12.375 1.00 0.00 O ATOM 0 H GLU A 971 -1.240 -7.218 -8.302 1.00 0.00 H new ATOM 0 HA GLU A 971 -0.794 -9.836 -9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 971 0.503 -7.484 -9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 971 1.437 -8.173 -8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 971 2.173 -10.007 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 971 0.822 -9.901 -10.779 1.00 0.00 H new ATOM 889 N SER A 972 -0.567 -9.323 -6.286 1.00 0.00 N ATOM 890 CA SER A 972 -0.346 -9.949 -4.993 1.00 0.00 C ATOM 891 C SER A 972 -1.528 -10.855 -4.642 1.00 0.00 C ATOM 892 O SER A 972 -1.430 -11.687 -3.741 1.00 0.00 O ATOM 893 CB SER A 972 -0.139 -8.898 -3.900 1.00 0.00 C ATOM 894 OG SER A 972 -0.448 -7.585 -4.357 1.00 0.00 O ATOM 0 H SER A 972 -1.042 -8.421 -6.247 1.00 0.00 H new ATOM 0 HA SER A 972 0.560 -10.552 -5.055 1.00 0.00 H new ATOM 0 HB2 SER A 972 -0.765 -9.140 -3.041 1.00 0.00 H new ATOM 0 HB3 SER A 972 0.896 -8.929 -3.559 1.00 0.00 H new ATOM 0 HG SER A 972 -1.413 -7.510 -4.508 1.00 0.00 H new ATOM 900 N LEU A 973 -2.617 -10.663 -5.371 1.00 0.00 N ATOM 901 CA LEU A 973 -3.816 -11.453 -5.147 1.00 0.00 C ATOM 902 C LEU A 973 -3.485 -12.936 -5.322 1.00 0.00 C ATOM 903 O LEU A 973 -3.808 -13.753 -4.461 1.00 0.00 O ATOM 904 CB LEU A 973 -4.953 -10.967 -6.049 1.00 0.00 C ATOM 905 CG LEU A 973 -5.968 -10.024 -5.398 1.00 0.00 C ATOM 906 CD1 LEU A 973 -6.373 -8.906 -6.361 1.00 0.00 C ATOM 907 CD2 LEU A 973 -7.180 -10.799 -4.877 1.00 0.00 C ATOM 0 H LEU A 973 -2.695 -9.972 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 973 -4.172 -11.324 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -4.516 -10.461 -6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -5.487 -11.838 -6.428 1.00 0.00 H new ATOM 0 HG LEU A 973 -5.494 -9.552 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -7.095 -8.250 -5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -5.491 -8.330 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -6.822 -9.340 -7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -7.886 -10.106 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -7.665 -11.316 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -6.854 -11.528 -4.135 1.00 0.00 H new ATOM 919 N PRO A 974 -2.826 -13.247 -6.470 1.00 0.00 N ATOM 920 CA PRO A 974 -2.447 -14.617 -6.768 1.00 0.00 C ATOM 921 C PRO A 974 -1.248 -15.051 -5.923 1.00 0.00 C ATOM 922 O PRO A 974 -1.203 -16.179 -5.435 1.00 0.00 O ATOM 923 CB PRO A 974 -2.157 -14.630 -8.260 1.00 0.00 C ATOM 924 CG PRO A 974 -1.933 -13.179 -8.654 1.00 0.00 C ATOM 925 CD PRO A 974 -2.426 -12.305 -7.512 1.00 0.00 C ATOM 0 HA PRO A 974 -3.231 -15.333 -6.522 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -1.278 -15.235 -8.482 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -2.989 -15.062 -8.816 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -0.876 -12.995 -8.847 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -2.471 -12.946 -9.573 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -1.642 -11.634 -7.160 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -3.263 -11.681 -7.824 1.00 0.00 H new ATOM 933 N VAL A 975 -0.305 -14.132 -5.775 1.00 0.00 N ATOM 934 CA VAL A 975 0.891 -14.405 -4.997 1.00 0.00 C ATOM 935 C VAL A 975 0.490 -14.779 -3.568 1.00 0.00 C ATOM 936 O VAL A 975 1.226 -15.483 -2.878 1.00 0.00 O ATOM 937 CB VAL A 975 1.839 -13.206 -5.057 1.00 0.00 C ATOM 938 CG1 VAL A 975 2.883 -13.275 -3.940 1.00 0.00 C ATOM 939 CG2 VAL A 975 2.510 -13.106 -6.429 1.00 0.00 C ATOM 0 H VAL A 975 -0.345 -13.197 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 975 1.434 -15.253 -5.415 1.00 0.00 H new ATOM 0 HB VAL A 975 1.247 -12.303 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 975 3.544 -12.411 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 975 2.381 -13.275 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 975 3.468 -14.188 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 975 3.179 -12.245 -6.445 1.00 0.00 H new ATOM 0 HG22 VAL A 975 3.082 -14.014 -6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 975 1.748 -12.988 -7.199 1.00 0.00 H new ATOM 949 N LEU A 976 -0.674 -14.291 -3.167 1.00 0.00 N ATOM 950 CA LEU A 976 -1.181 -14.565 -1.833 1.00 0.00 C ATOM 951 C LEU A 976 -2.317 -15.586 -1.924 1.00 0.00 C ATOM 952 O LEU A 976 -2.862 -15.820 -3.002 1.00 0.00 O ATOM 953 CB LEU A 976 -1.578 -13.264 -1.133 1.00 0.00 C ATOM 954 CG LEU A 976 -0.441 -12.489 -0.464 1.00 0.00 C ATOM 955 CD1 LEU A 976 -0.351 -12.824 1.026 1.00 0.00 C ATOM 956 CD2 LEU A 976 0.886 -12.730 -1.186 1.00 0.00 C ATOM 0 H LEU A 976 -1.281 -13.707 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 976 -0.402 -15.008 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -2.055 -12.612 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.328 -13.496 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 976 -0.662 -11.424 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 976 0.465 -12.260 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -1.289 -12.560 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -0.165 -13.891 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 976 1.677 -12.168 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 976 1.126 -13.793 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 976 0.802 -12.401 -2.222 1.00 0.00 H new ATOM 968 N PRO A 977 -2.651 -16.182 -0.748 1.00 0.00 N ATOM 969 CA PRO A 977 -3.712 -17.172 -0.685 1.00 0.00 C ATOM 970 C PRO A 977 -5.087 -16.507 -0.778 1.00 0.00 C ATOM 971 O PRO A 977 -5.185 -15.286 -0.881 1.00 0.00 O ATOM 972 CB PRO A 977 -3.492 -17.900 0.631 1.00 0.00 C ATOM 973 CG PRO A 977 -2.606 -16.992 1.468 1.00 0.00 C ATOM 974 CD PRO A 977 -2.028 -15.929 0.548 1.00 0.00 C ATOM 0 HA PRO A 977 -3.686 -17.871 -1.521 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -4.440 -18.092 1.134 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -3.016 -18.867 0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -3.182 -16.531 2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -1.807 -17.566 1.938 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -2.257 -14.926 0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -0.942 -16.006 0.487 1.00 0.00 H new ATOM 982 N ALA A 978 -6.116 -17.342 -0.737 1.00 0.00 N ATOM 983 CA ALA A 978 -7.481 -16.851 -0.816 1.00 0.00 C ATOM 984 C ALA A 978 -7.887 -16.266 0.539 1.00 0.00 C ATOM 985 O ALA A 978 -8.907 -16.655 1.106 1.00 0.00 O ATOM 986 CB ALA A 978 -8.407 -17.985 -1.262 1.00 0.00 C ATOM 0 H ALA A 978 -6.031 -18.355 -0.650 1.00 0.00 H new ATOM 0 HA ALA A 978 -7.560 -16.055 -1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -9.431 -17.616 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -8.094 -18.346 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -8.356 -18.801 -0.541 1.00 0.00 H new ATOM 992 N SER A 979 -7.067 -15.342 1.018 1.00 0.00 N ATOM 993 CA SER A 979 -7.328 -14.700 2.295 1.00 0.00 C ATOM 994 C SER A 979 -7.075 -13.195 2.186 1.00 0.00 C ATOM 995 O SER A 979 -7.101 -12.483 3.188 1.00 0.00 O ATOM 996 CB SER A 979 -6.463 -15.305 3.402 1.00 0.00 C ATOM 997 OG SER A 979 -7.231 -15.645 4.554 1.00 0.00 O ATOM 0 H SER A 979 -6.222 -15.023 0.545 1.00 0.00 H new ATOM 0 HA SER A 979 -8.373 -14.868 2.555 1.00 0.00 H new ATOM 0 HB2 SER A 979 -5.962 -16.196 3.024 1.00 0.00 H new ATOM 0 HB3 SER A 979 -5.684 -14.596 3.682 1.00 0.00 H new ATOM 0 HG SER A 979 -7.029 -16.566 4.821 1.00 0.00 H new ATOM 1003 N THR A 980 -6.835 -12.756 0.959 1.00 0.00 N ATOM 1004 CA THR A 980 -6.577 -11.348 0.706 1.00 0.00 C ATOM 1005 C THR A 980 -7.652 -10.766 -0.215 1.00 0.00 C ATOM 1006 O THR A 980 -7.351 -9.964 -1.097 1.00 0.00 O ATOM 1007 CB THR A 980 -5.161 -11.221 0.142 1.00 0.00 C ATOM 1008 OG1 THR A 980 -5.337 -11.330 -1.268 1.00 0.00 O ATOM 1009 CG2 THR A 980 -4.278 -12.419 0.500 1.00 0.00 C ATOM 0 H THR A 980 -6.814 -13.350 0.130 1.00 0.00 H new ATOM 0 HA THR A 980 -6.630 -10.765 1.625 1.00 0.00 H new ATOM 0 HB THR A 980 -4.702 -10.306 0.517 1.00 0.00 H new ATOM 0 HG1 THR A 980 -5.843 -10.557 -1.595 1.00 0.00 H new ATOM 0 HG21 THR A 980 -3.284 -12.278 0.075 1.00 0.00 H new ATOM 0 HG22 THR A 980 -4.201 -12.503 1.584 1.00 0.00 H new ATOM 0 HG23 THR A 980 -4.719 -13.330 0.096 1.00 0.00 H new ATOM 1017 N HIS A 981 -8.883 -11.193 0.023 1.00 0.00 N ATOM 1018 CA HIS A 981 -10.005 -10.725 -0.774 1.00 0.00 C ATOM 1019 C HIS A 981 -10.513 -9.395 -0.212 1.00 0.00 C ATOM 1020 O HIS A 981 -9.832 -8.375 -0.310 1.00 0.00 O ATOM 1021 CB HIS A 981 -11.099 -11.791 -0.853 1.00 0.00 C ATOM 1022 CG HIS A 981 -10.759 -12.953 -1.756 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -11.692 -13.900 -2.142 1.00 0.00 N ATOM 1024 CD2 HIS A 981 -9.582 -13.311 -2.344 1.00 0.00 C ATOM 1025 CE1 HIS A 981 -11.092 -14.782 -2.927 1.00 0.00 C ATOM 1026 NE2 HIS A 981 -9.784 -14.416 -3.050 1.00 0.00 N ATOM 0 H HIS A 981 -9.129 -11.858 0.756 1.00 0.00 H new ATOM 0 HA HIS A 981 -9.678 -10.547 -1.799 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -11.297 -12.169 0.150 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -12.020 -11.327 -1.206 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -8.644 -12.784 -2.251 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -11.557 -15.640 -3.389 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -9.078 -14.910 -3.595 1.00 0.00 H new ATOM 1034 N ARG A 982 -11.705 -9.449 0.363 1.00 0.00 N ATOM 1035 CA ARG A 982 -12.312 -8.262 0.940 1.00 0.00 C ATOM 1036 C ARG A 982 -11.280 -7.481 1.756 1.00 0.00 C ATOM 1037 O ARG A 982 -11.332 -6.254 1.818 1.00 0.00 O ATOM 1038 CB ARG A 982 -13.492 -8.630 1.841 1.00 0.00 C ATOM 1039 CG ARG A 982 -14.142 -7.377 2.432 1.00 0.00 C ATOM 1040 CD ARG A 982 -14.899 -7.707 3.720 1.00 0.00 C ATOM 1041 NE ARG A 982 -16.021 -8.626 3.427 1.00 0.00 N ATOM 1042 CZ ARG A 982 -16.762 -9.231 4.365 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -16.505 -9.017 5.663 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -17.761 -10.049 4.006 1.00 0.00 N ATOM 0 H ARG A 982 -12.267 -10.297 0.442 1.00 0.00 H new ATOM 0 HA ARG A 982 -12.675 -7.643 0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -14.230 -9.191 1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -13.151 -9.281 2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -13.377 -6.629 2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -14.827 -6.941 1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -14.223 -8.165 4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -15.277 -6.791 4.174 1.00 0.00 H new ATOM 0 HE ARG A 982 -16.244 -8.811 2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -15.745 -8.394 5.936 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -17.069 -9.478 6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -17.957 -10.211 3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -18.325 -10.509 4.720 1.00 0.00 H new ATOM 1058 N GLU A 983 -10.366 -8.225 2.361 1.00 0.00 N ATOM 1059 CA GLU A 983 -9.323 -7.618 3.171 1.00 0.00 C ATOM 1060 C GLU A 983 -8.466 -6.681 2.317 1.00 0.00 C ATOM 1061 O GLU A 983 -8.122 -5.582 2.750 1.00 0.00 O ATOM 1062 CB GLU A 983 -8.461 -8.686 3.846 1.00 0.00 C ATOM 1063 CG GLU A 983 -8.835 -8.840 5.322 1.00 0.00 C ATOM 1064 CD GLU A 983 -8.424 -10.215 5.852 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -7.244 -10.343 6.245 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -9.298 -11.108 5.851 1.00 0.00 O ATOM 0 H GLU A 983 -10.326 -9.243 2.307 1.00 0.00 H new ATOM 0 HA GLU A 983 -9.797 -7.030 3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -8.589 -9.639 3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -7.408 -8.417 3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -8.348 -8.060 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -9.910 -8.706 5.444 1.00 0.00 H new ATOM 1073 N ILE A 984 -8.146 -7.150 1.120 1.00 0.00 N ATOM 1074 CA ILE A 984 -7.336 -6.368 0.202 1.00 0.00 C ATOM 1075 C ILE A 984 -8.178 -5.223 -0.366 1.00 0.00 C ATOM 1076 O ILE A 984 -7.679 -4.114 -0.552 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.721 -7.269 -0.871 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -5.684 -8.216 -0.263 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -6.138 -6.439 -2.016 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -4.430 -7.452 0.166 1.00 0.00 C ATOM 0 H ILE A 984 -8.433 -8.062 0.765 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.495 -5.916 0.727 1.00 0.00 H new ATOM 0 HB ILE A 984 -7.513 -7.887 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -6.114 -8.728 0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -5.416 -8.983 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -5.707 -7.104 -2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -6.928 -5.842 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -5.362 -5.778 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -3.709 -8.148 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -3.989 -6.961 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -4.698 -6.702 0.911 1.00 0.00 H new ATOM 1092 N GLU A 985 -9.440 -5.531 -0.625 1.00 0.00 N ATOM 1093 CA GLU A 985 -10.356 -4.542 -1.168 1.00 0.00 C ATOM 1094 C GLU A 985 -10.643 -3.457 -0.127 1.00 0.00 C ATOM 1095 O GLU A 985 -10.949 -2.319 -0.480 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.651 -5.198 -1.647 1.00 0.00 C ATOM 1097 CG GLU A 985 -11.437 -5.931 -2.973 1.00 0.00 C ATOM 1098 CD GLU A 985 -12.449 -5.470 -4.024 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -13.625 -5.294 -3.641 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -12.023 -5.304 -5.188 1.00 0.00 O ATOM 0 H GLU A 985 -9.850 -6.452 -0.469 1.00 0.00 H new ATOM 0 HA GLU A 985 -9.884 -4.074 -2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -12.008 -5.900 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -12.424 -4.439 -1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -10.425 -5.749 -3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -11.532 -7.006 -2.818 1.00 0.00 H new ATOM 1107 N MET A 986 -10.534 -3.849 1.134 1.00 0.00 N ATOM 1108 CA MET A 986 -10.778 -2.924 2.228 1.00 0.00 C ATOM 1109 C MET A 986 -9.659 -1.886 2.329 1.00 0.00 C ATOM 1110 O MET A 986 -9.924 -0.699 2.514 1.00 0.00 O ATOM 1111 CB MET A 986 -10.873 -3.702 3.542 1.00 0.00 C ATOM 1112 CG MET A 986 -12.331 -3.885 3.968 1.00 0.00 C ATOM 1113 SD MET A 986 -12.475 -3.722 5.739 1.00 0.00 S ATOM 1114 CE MET A 986 -12.828 -1.977 5.863 1.00 0.00 C ATOM 0 H MET A 986 -10.280 -4.794 1.422 1.00 0.00 H new ATOM 0 HA MET A 986 -11.715 -2.402 2.035 1.00 0.00 H new ATOM 0 HB2 MET A 986 -10.399 -4.677 3.426 1.00 0.00 H new ATOM 0 HB3 MET A 986 -10.326 -3.173 4.322 1.00 0.00 H new ATOM 0 HG2 MET A 986 -12.959 -3.143 3.474 1.00 0.00 H new ATOM 0 HG3 MET A 986 -12.690 -4.865 3.654 1.00 0.00 H new ATOM 0 HE1 MET A 986 -12.948 -1.704 6.911 1.00 0.00 H new ATOM 0 HE2 MET A 986 -12.005 -1.408 5.432 1.00 0.00 H new ATOM 0 HE3 MET A 986 -13.747 -1.752 5.322 1.00 0.00 H new ATOM 1124 N ALA A 987 -8.432 -2.370 2.202 1.00 0.00 N ATOM 1125 CA ALA A 987 -7.272 -1.499 2.276 1.00 0.00 C ATOM 1126 C ALA A 987 -7.083 -0.793 0.932 1.00 0.00 C ATOM 1127 O ALA A 987 -6.418 0.239 0.857 1.00 0.00 O ATOM 1128 CB ALA A 987 -6.045 -2.317 2.683 1.00 0.00 C ATOM 0 H ALA A 987 -8.216 -3.355 2.048 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.417 -0.730 3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.174 -1.664 2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -6.219 -2.774 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -5.866 -3.097 1.943 1.00 0.00 H new ATOM 1134 N GLN A 988 -7.680 -1.377 -0.096 1.00 0.00 N ATOM 1135 CA GLN A 988 -7.586 -0.817 -1.433 1.00 0.00 C ATOM 1136 C GLN A 988 -8.511 0.395 -1.567 1.00 0.00 C ATOM 1137 O GLN A 988 -8.082 1.462 -2.005 1.00 0.00 O ATOM 1138 CB GLN A 988 -7.907 -1.872 -2.494 1.00 0.00 C ATOM 1139 CG GLN A 988 -6.744 -2.852 -2.662 1.00 0.00 C ATOM 1140 CD GLN A 988 -5.984 -2.583 -3.962 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -4.969 -1.907 -3.988 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -6.529 -3.148 -5.035 1.00 0.00 N ATOM 0 H GLN A 988 -8.231 -2.233 -0.030 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.560 -0.487 -1.596 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -8.808 -2.416 -2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -8.116 -1.384 -3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -6.064 -2.764 -1.814 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -7.122 -3.874 -2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -7.380 -3.702 -4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -6.096 -3.027 -5.950 1.00 0.00 H new ATOM 1151 N LYS A 989 -9.762 0.190 -1.183 1.00 0.00 N ATOM 1152 CA LYS A 989 -10.750 1.252 -1.254 1.00 0.00 C ATOM 1153 C LYS A 989 -10.290 2.430 -0.394 1.00 0.00 C ATOM 1154 O LYS A 989 -10.480 3.587 -0.767 1.00 0.00 O ATOM 1155 CB LYS A 989 -12.136 0.721 -0.879 1.00 0.00 C ATOM 1156 CG LYS A 989 -13.197 1.816 -1.011 1.00 0.00 C ATOM 1157 CD LYS A 989 -14.597 1.256 -0.752 1.00 0.00 C ATOM 1158 CE LYS A 989 -15.644 2.372 -0.762 1.00 0.00 C ATOM 1159 NZ LYS A 989 -16.558 2.214 -1.915 1.00 0.00 N ATOM 0 H LYS A 989 -10.114 -0.696 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 989 -10.840 1.620 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -12.394 -0.120 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -12.121 0.346 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -12.986 2.619 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -13.154 2.251 -2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -14.843 0.515 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -14.615 0.744 0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -16.214 2.352 0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -15.150 3.342 -0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -17.262 2.979 -1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -16.012 2.255 -2.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -17.043 1.296 -1.850 1.00 0.00 H new ATOM 1173 N LEU A 990 -9.694 2.096 0.741 1.00 0.00 N ATOM 1174 CA LEU A 990 -9.205 3.112 1.657 1.00 0.00 C ATOM 1175 C LEU A 990 -8.101 3.921 0.973 1.00 0.00 C ATOM 1176 O LEU A 990 -8.145 5.150 0.959 1.00 0.00 O ATOM 1177 CB LEU A 990 -8.772 2.477 2.980 1.00 0.00 C ATOM 1178 CG LEU A 990 -9.337 3.118 4.249 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -9.043 2.255 5.477 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -8.823 4.549 4.416 1.00 0.00 C ATOM 0 H LEU A 990 -9.539 1.136 1.047 1.00 0.00 H new ATOM 0 HA LEU A 990 -10.002 3.811 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -9.062 1.426 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -7.684 2.507 3.035 1.00 0.00 H new ATOM 0 HG LEU A 990 -10.421 3.176 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -9.455 2.734 6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -9.499 1.273 5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -7.965 2.142 5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -9.240 4.981 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -7.735 4.539 4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -9.127 5.147 3.557 1.00 0.00 H new ATOM 1192 N LEU A 991 -7.137 3.199 0.422 1.00 0.00 N ATOM 1193 CA LEU A 991 -6.023 3.834 -0.262 1.00 0.00 C ATOM 1194 C LEU A 991 -6.556 4.937 -1.178 1.00 0.00 C ATOM 1195 O LEU A 991 -6.308 6.119 -0.943 1.00 0.00 O ATOM 1196 CB LEU A 991 -5.174 2.789 -0.988 1.00 0.00 C ATOM 1197 CG LEU A 991 -3.954 3.322 -1.743 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -2.844 3.729 -0.772 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -3.466 2.310 -2.781 1.00 0.00 C ATOM 0 H LEU A 991 -7.104 2.180 0.435 1.00 0.00 H new ATOM 0 HA LEU A 991 -5.356 4.310 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -4.832 2.056 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -5.812 2.260 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 991 -4.253 4.219 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -1.989 4.104 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -3.211 4.510 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -2.540 2.863 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -2.598 2.714 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -3.189 1.381 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -4.262 2.113 -3.499 1.00 0.00 H new ATOM 1211 N ASN A 992 -7.279 4.513 -2.205 1.00 0.00 N ATOM 1212 CA ASN A 992 -7.849 5.451 -3.157 1.00 0.00 C ATOM 1213 C ASN A 992 -8.602 6.546 -2.400 1.00 0.00 C ATOM 1214 O ASN A 992 -8.253 7.721 -2.491 1.00 0.00 O ATOM 1215 CB ASN A 992 -8.840 4.753 -4.091 1.00 0.00 C ATOM 1216 CG ASN A 992 -9.089 5.588 -5.349 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -8.603 6.697 -5.495 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -9.871 4.994 -6.246 1.00 0.00 N ATOM 0 H ASN A 992 -7.483 3.532 -2.398 1.00 0.00 H new ATOM 0 HA ASN A 992 -7.034 5.872 -3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -8.453 3.773 -4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -9.782 4.586 -3.569 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -10.097 5.469 -7.120 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -10.245 4.063 -6.060 1.00 0.00 H new ATOM 1225 N SER A 993 -9.623 6.121 -1.669 1.00 0.00 N ATOM 1226 CA SER A 993 -10.429 7.050 -0.897 1.00 0.00 C ATOM 1227 C SER A 993 -9.530 8.093 -0.229 1.00 0.00 C ATOM 1228 O SER A 993 -9.660 9.288 -0.489 1.00 0.00 O ATOM 1229 CB SER A 993 -11.261 6.315 0.156 1.00 0.00 C ATOM 1230 OG SER A 993 -12.181 7.184 0.811 1.00 0.00 O ATOM 0 H SER A 993 -9.910 5.145 -1.596 1.00 0.00 H new ATOM 0 HA SER A 993 -11.116 7.553 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 993 -11.807 5.499 -0.318 1.00 0.00 H new ATOM 0 HB3 SER A 993 -10.597 5.867 0.895 1.00 0.00 H new ATOM 0 HG SER A 993 -12.694 6.677 1.474 1.00 0.00 H new ATOM 1236 N ASP A 994 -8.637 7.602 0.618 1.00 0.00 N ATOM 1237 CA ASP A 994 -7.717 8.476 1.325 1.00 0.00 C ATOM 1238 C ASP A 994 -6.876 9.252 0.310 1.00 0.00 C ATOM 1239 O ASP A 994 -6.590 10.432 0.507 1.00 0.00 O ATOM 1240 CB ASP A 994 -6.764 7.672 2.211 1.00 0.00 C ATOM 1241 CG ASP A 994 -7.005 7.813 3.716 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -7.550 8.868 4.106 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -6.640 6.863 4.441 1.00 0.00 O ATOM 0 H ASP A 994 -8.531 6.610 0.830 1.00 0.00 H new ATOM 0 HA ASP A 994 -8.305 9.151 1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -6.844 6.619 1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -5.742 7.980 1.992 1.00 0.00 H new ATOM 1248 N LEU A 995 -6.502 8.558 -0.755 1.00 0.00 N ATOM 1249 CA LEU A 995 -5.699 9.167 -1.802 1.00 0.00 C ATOM 1250 C LEU A 995 -6.382 10.450 -2.281 1.00 0.00 C ATOM 1251 O LEU A 995 -5.792 11.528 -2.228 1.00 0.00 O ATOM 1252 CB LEU A 995 -5.427 8.161 -2.922 1.00 0.00 C ATOM 1253 CG LEU A 995 -5.611 8.681 -4.350 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -4.708 9.887 -4.615 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -5.392 7.564 -5.372 1.00 0.00 C ATOM 0 H LEU A 995 -6.740 7.579 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 995 -4.720 9.451 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -4.404 7.799 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -6.085 7.304 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 995 -6.641 9.021 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -4.858 10.237 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -4.955 10.687 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -3.666 9.598 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -5.529 7.960 -6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -4.380 7.171 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -6.111 6.764 -5.196 1.00 0.00 H new ATOM 1267 N ALA A 996 -7.616 10.292 -2.737 1.00 0.00 N ATOM 1268 CA ALA A 996 -8.385 11.424 -3.224 1.00 0.00 C ATOM 1269 C ALA A 996 -8.417 12.513 -2.150 1.00 0.00 C ATOM 1270 O ALA A 996 -8.203 13.688 -2.446 1.00 0.00 O ATOM 1271 CB ALA A 996 -9.786 10.957 -3.622 1.00 0.00 C ATOM 0 H ALA A 996 -8.102 9.396 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 996 -7.919 11.850 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -10.363 11.807 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -9.709 10.206 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -10.286 10.525 -2.755 1.00 0.00 H new ATOM 1277 N GLU A 997 -8.686 12.085 -0.926 1.00 0.00 N ATOM 1278 CA GLU A 997 -8.749 13.009 0.194 1.00 0.00 C ATOM 1279 C GLU A 997 -7.461 13.830 0.277 1.00 0.00 C ATOM 1280 O GLU A 997 -7.489 14.997 0.666 1.00 0.00 O ATOM 1281 CB GLU A 997 -9.011 12.265 1.505 1.00 0.00 C ATOM 1282 CG GLU A 997 -9.226 13.246 2.659 1.00 0.00 C ATOM 1283 CD GLU A 997 -10.718 13.445 2.939 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -11.469 13.574 1.948 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -11.072 13.462 4.137 1.00 0.00 O ATOM 0 H GLU A 997 -8.863 11.110 -0.685 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.582 13.692 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -9.889 11.628 1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -8.169 11.611 1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -8.731 12.873 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -8.767 14.204 2.417 1.00 0.00 H new ATOM 1292 N LEU A 998 -6.363 13.189 -0.095 1.00 0.00 N ATOM 1293 CA LEU A 998 -5.067 13.845 -0.067 1.00 0.00 C ATOM 1294 C LEU A 998 -4.961 14.805 -1.254 1.00 0.00 C ATOM 1295 O LEU A 998 -4.613 15.972 -1.084 1.00 0.00 O ATOM 1296 CB LEU A 998 -3.943 12.809 -0.011 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.523 13.367 0.108 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -1.656 12.474 0.998 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -1.899 13.577 -1.274 1.00 0.00 C ATOM 0 H LEU A 998 -6.344 12.222 -0.418 1.00 0.00 H new ATOM 0 HA LEU A 998 -4.962 14.443 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -4.125 12.149 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -3.997 12.195 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 998 -2.579 14.344 0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -0.652 12.893 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -2.094 12.418 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -1.603 11.474 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.890 13.974 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -1.857 12.625 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -2.505 14.282 -1.843 1.00 0.00 H new ATOM 1311 N ILE A 999 -5.267 14.277 -2.430 1.00 0.00 N ATOM 1312 CA ILE A 999 -5.210 15.072 -3.645 1.00 0.00 C ATOM 1313 C ILE A 999 -6.048 16.338 -3.460 1.00 0.00 C ATOM 1314 O ILE A 999 -5.575 17.443 -3.721 1.00 0.00 O ATOM 1315 CB ILE A 999 -5.623 14.231 -4.855 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -4.622 13.102 -5.106 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -5.818 15.110 -6.092 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -3.310 13.648 -5.672 1.00 0.00 C ATOM 0 H ILE A 999 -5.555 13.308 -2.567 1.00 0.00 H new ATOM 0 HA ILE A 999 -4.187 15.393 -3.844 1.00 0.00 H new ATOM 0 HB ILE A 999 -6.584 13.766 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -4.427 12.570 -4.175 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -5.050 12.380 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -6.111 14.488 -6.938 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -6.597 15.846 -5.896 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -4.885 15.623 -6.325 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -2.616 12.825 -5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -3.505 14.158 -6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -2.873 14.351 -4.963 1.00 0.00 H new ATOM 1330 N ASN A1000 -7.278 16.135 -3.012 1.00 0.00 N ATOM 1331 CA ASN A1000 -8.187 17.247 -2.789 1.00 0.00 C ATOM 1332 C ASN A1000 -7.469 18.334 -1.987 1.00 0.00 C ATOM 1333 O ASN A1000 -7.460 19.499 -2.383 1.00 0.00 O ATOM 1334 CB ASN A1000 -9.414 16.803 -1.991 1.00 0.00 C ATOM 1335 CG ASN A1000 -10.367 17.977 -1.754 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -11.181 18.328 -2.591 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -10.220 18.561 -0.568 1.00 0.00 N ATOM 0 H ASN A1000 -7.667 15.217 -2.797 1.00 0.00 H new ATOM 0 HA ASN A1000 -8.506 17.623 -3.761 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -9.934 16.010 -2.528 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -9.099 16.386 -1.034 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -10.809 19.354 -0.313 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -9.518 18.216 0.087 1.00 0.00 H new ATOM 1344 N LYS A1001 -6.884 17.915 -0.875 1.00 0.00 N ATOM 1345 CA LYS A1001 -6.165 18.839 -0.014 1.00 0.00 C ATOM 1346 C LYS A1001 -5.135 19.607 -0.844 1.00 0.00 C ATOM 1347 O LYS A1001 -5.044 20.830 -0.750 1.00 0.00 O ATOM 1348 CB LYS A1001 -5.563 18.098 1.182 1.00 0.00 C ATOM 1349 CG LYS A1001 -5.905 18.805 2.495 1.00 0.00 C ATOM 1350 CD LYS A1001 -7.180 18.226 3.113 1.00 0.00 C ATOM 1351 CE LYS A1001 -7.636 19.061 4.311 1.00 0.00 C ATOM 1352 NZ LYS A1001 -9.112 19.059 4.413 1.00 0.00 N ATOM 0 H LYS A1001 -6.893 16.948 -0.550 1.00 0.00 H new ATOM 0 HA LYS A1001 -6.848 19.577 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -5.939 17.075 1.207 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -4.481 18.037 1.069 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -5.077 18.700 3.196 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -6.036 19.872 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -7.971 18.197 2.363 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -7.001 17.198 3.428 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -7.202 18.661 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -7.274 20.084 4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -9.404 19.630 5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -9.520 19.462 3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -9.450 18.083 4.534 1.00 0.00 H new ATOM 1366 N MET A1002 -4.386 18.857 -1.639 1.00 0.00 N ATOM 1367 CA MET A1002 -3.366 19.452 -2.486 1.00 0.00 C ATOM 1368 C MET A1002 -3.989 20.407 -3.507 1.00 0.00 C ATOM 1369 O MET A1002 -3.559 21.552 -3.635 1.00 0.00 O ATOM 1370 CB MET A1002 -2.602 18.348 -3.219 1.00 0.00 C ATOM 1371 CG MET A1002 -1.719 18.932 -4.323 1.00 0.00 C ATOM 1372 SD MET A1002 -2.654 19.083 -5.836 1.00 0.00 S ATOM 1373 CE MET A1002 -2.184 20.733 -6.328 1.00 0.00 C ATOM 0 H MET A1002 -4.465 17.843 -1.715 1.00 0.00 H new ATOM 0 HA MET A1002 -2.683 20.020 -1.855 1.00 0.00 H new ATOM 0 HB2 MET A1002 -1.986 17.795 -2.510 1.00 0.00 H new ATOM 0 HB3 MET A1002 -3.307 17.638 -3.650 1.00 0.00 H new ATOM 0 HG2 MET A1002 -1.342 19.909 -4.020 1.00 0.00 H new ATOM 0 HG3 MET A1002 -0.852 18.291 -4.484 1.00 0.00 H new ATOM 0 HE1 MET A1002 -2.970 21.166 -6.946 1.00 0.00 H new ATOM 0 HE2 MET A1002 -2.039 21.350 -5.441 1.00 0.00 H new ATOM 0 HE3 MET A1002 -1.255 20.692 -6.897 1.00 0.00 H new ATOM 1383 N LYS A1003 -4.992 19.899 -4.208 1.00 0.00 N ATOM 1384 CA LYS A1003 -5.678 20.692 -5.214 1.00 0.00 C ATOM 1385 C LYS A1003 -5.907 22.105 -4.674 1.00 0.00 C ATOM 1386 O LYS A1003 -5.720 23.086 -5.393 1.00 0.00 O ATOM 1387 CB LYS A1003 -6.961 19.991 -5.664 1.00 0.00 C ATOM 1388 CG LYS A1003 -6.830 19.477 -7.099 1.00 0.00 C ATOM 1389 CD LYS A1003 -8.204 19.166 -7.698 1.00 0.00 C ATOM 1390 CE LYS A1003 -8.350 17.670 -7.985 1.00 0.00 C ATOM 1391 NZ LYS A1003 -9.748 17.347 -8.350 1.00 0.00 N ATOM 0 H LYS A1003 -5.346 18.949 -4.099 1.00 0.00 H new ATOM 0 HA LYS A1003 -5.063 20.788 -6.109 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -7.179 19.159 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -7.801 20.683 -5.597 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -6.323 20.223 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -6.212 18.579 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -8.986 19.486 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -8.340 19.732 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -7.680 17.382 -8.795 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -8.055 17.095 -7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -9.830 16.328 -8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -10.380 17.604 -7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -10.017 17.882 -9.200 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.308 22.165 -3.413 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.564 23.442 -2.769 1.00 0.00 C ATOM 1407 C LEU A1004 -5.233 24.090 -2.384 1.00 0.00 C ATOM 1408 O LEU A1004 -5.085 25.309 -2.464 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.526 23.266 -1.592 1.00 0.00 C ATOM 1410 CG LEU A1004 -8.731 22.357 -1.841 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -9.338 21.877 -0.521 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -9.766 23.050 -2.730 1.00 0.00 C ATOM 0 H LEU A1004 -6.462 21.350 -2.820 1.00 0.00 H new ATOM 0 HA LEU A1004 -7.063 24.123 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -6.965 22.869 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -7.892 24.249 -1.298 1.00 0.00 H new ATOM 0 HG LEU A1004 -8.387 21.473 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -10.193 21.233 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -8.590 21.319 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -9.664 22.737 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -10.612 22.382 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -10.111 23.962 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -9.313 23.300 -3.689 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.297 23.246 -1.973 1.00 0.00 N ATOM 1425 CA ALA A1005 -2.983 23.721 -1.575 1.00 0.00 C ATOM 1426 C ALA A1005 -2.409 24.607 -2.683 1.00 0.00 C ATOM 1427 O ALA A1005 -1.522 25.422 -2.434 1.00 0.00 O ATOM 1428 CB ALA A1005 -2.082 22.526 -1.258 1.00 0.00 C ATOM 0 H ALA A1005 -4.423 22.236 -1.907 1.00 0.00 H new ATOM 0 HA ALA A1005 -3.051 24.326 -0.671 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -1.096 22.883 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.519 21.946 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -1.987 21.897 -2.143 1.00 0.00 H new ATOM 1434 N GLN A1006 -2.937 24.416 -3.883 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.488 25.188 -5.029 1.00 0.00 C ATOM 1436 C GLN A1006 -3.345 26.445 -5.192 1.00 0.00 C ATOM 1437 O GLN A1006 -2.902 27.430 -5.780 1.00 0.00 O ATOM 1438 CB GLN A1006 -2.510 24.340 -6.303 1.00 0.00 C ATOM 1439 CG GLN A1006 -1.544 24.898 -7.350 1.00 0.00 C ATOM 1440 CD GLN A1006 -2.288 25.740 -8.389 1.00 0.00 C ATOM 1441 OE1 GLN A1006 -3.496 25.658 -8.542 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -1.502 26.551 -9.091 1.00 0.00 N ATOM 0 H GLN A1006 -3.671 23.738 -4.086 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.457 25.496 -4.854 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -2.239 23.312 -6.064 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -3.520 24.317 -6.711 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -0.783 25.506 -6.861 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -1.025 24.077 -7.846 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -0.498 26.570 -8.911 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -1.903 27.154 -9.809 1.00 0.00 H new ATOM 1451 N GLN A1007 -4.557 26.369 -4.661 1.00 0.00 N ATOM 1452 CA GLN A1007 -5.480 27.488 -4.741 1.00 0.00 C ATOM 1453 C GLN A1007 -5.409 28.326 -3.462 1.00 0.00 C ATOM 1454 O GLN A1007 -5.956 29.426 -3.405 1.00 0.00 O ATOM 1455 CB GLN A1007 -6.907 27.004 -5.001 1.00 0.00 C ATOM 1456 CG GLN A1007 -7.751 28.107 -5.645 1.00 0.00 C ATOM 1457 CD GLN A1007 -7.962 27.835 -7.136 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -8.854 27.107 -7.540 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -7.095 28.460 -7.928 1.00 0.00 N ATOM 0 H GLN A1007 -4.921 25.550 -4.174 1.00 0.00 H new ATOM 0 HA GLN A1007 -5.187 28.117 -5.581 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -6.886 26.130 -5.652 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -7.365 26.691 -4.063 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -8.716 28.171 -5.143 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -7.259 29.071 -5.513 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -6.372 29.055 -7.524 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -7.153 28.344 -8.940 1.00 0.00 H new ATOM 1468 N TYR A1008 -4.731 27.773 -2.467 1.00 0.00 N ATOM 1469 CA TYR A1008 -4.582 28.455 -1.193 1.00 0.00 C ATOM 1470 C TYR A1008 -3.196 29.089 -1.069 1.00 0.00 C ATOM 1471 O TYR A1008 -3.056 30.182 -0.523 1.00 0.00 O ATOM 1472 CB TYR A1008 -4.735 27.377 -0.117 1.00 0.00 C ATOM 1473 CG TYR A1008 -5.963 27.561 0.777 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -7.196 27.813 0.213 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -5.836 27.473 2.149 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -8.352 27.986 1.055 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -6.991 27.646 2.991 1.00 0.00 C ATOM 1478 CZ TYR A1008 -8.192 27.893 2.402 1.00 0.00 C ATOM 1479 OH TYR A1008 -9.283 28.056 3.198 1.00 0.00 O ATOM 0 H TYR A1008 -4.279 26.860 -2.518 1.00 0.00 H new ATOM 0 HA TYR A1008 -5.320 29.251 -1.095 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -4.793 26.402 -0.600 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -3.841 27.371 0.507 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -7.295 27.881 -0.860 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -4.871 27.274 2.590 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -9.323 28.185 0.626 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -6.906 27.581 4.066 1.00 0.00 H new ATOM 0 HH TYR A1008 -9.020 27.962 4.137 1.00 0.00 H new ATOM 1489 N VAL A1009 -2.206 28.376 -1.586 1.00 0.00 N ATOM 1490 CA VAL A1009 -0.835 28.856 -1.540 1.00 0.00 C ATOM 1491 C VAL A1009 -0.813 30.355 -1.844 1.00 0.00 C ATOM 1492 O VAL A1009 -0.104 31.115 -1.187 1.00 0.00 O ATOM 1493 CB VAL A1009 0.037 28.039 -2.497 1.00 0.00 C ATOM 1494 CG1 VAL A1009 -0.591 27.973 -3.890 1.00 0.00 C ATOM 1495 CG2 VAL A1009 1.457 28.605 -2.562 1.00 0.00 C ATOM 0 H VAL A1009 -2.326 27.470 -2.039 1.00 0.00 H new ATOM 0 HA VAL A1009 -0.416 28.721 -0.543 1.00 0.00 H new ATOM 0 HB VAL A1009 0.099 27.022 -2.109 1.00 0.00 H new ATOM 0 HG11 VAL A1009 0.049 27.387 -4.550 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -1.572 27.503 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.697 28.982 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A1009 2.056 28.007 -3.249 1.00 0.00 H new ATOM 0 HG22 VAL A1009 1.422 29.636 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A1009 1.906 28.576 -1.569 1.00 0.00 H new ATOM 1505 N MET A1010 -1.599 30.736 -2.840 1.00 0.00 N ATOM 1506 CA MET A1010 -1.679 32.131 -3.239 1.00 0.00 C ATOM 1507 C MET A1010 -1.596 33.055 -2.022 1.00 0.00 C ATOM 1508 O MET A1010 -1.065 34.160 -2.112 1.00 0.00 O ATOM 1509 CB MET A1010 -2.997 32.376 -3.977 1.00 0.00 C ATOM 1510 CG MET A1010 -4.103 31.466 -3.441 1.00 0.00 C ATOM 1511 SD MET A1010 -5.597 32.409 -3.183 1.00 0.00 S ATOM 1512 CE MET A1010 -6.196 31.638 -1.688 1.00 0.00 C ATOM 0 H MET A1010 -2.186 30.103 -3.383 1.00 0.00 H new ATOM 0 HA MET A1010 -0.838 32.350 -3.896 1.00 0.00 H new ATOM 0 HB2 MET A1010 -3.293 33.419 -3.864 1.00 0.00 H new ATOM 0 HB3 MET A1010 -2.859 32.198 -5.043 1.00 0.00 H new ATOM 0 HG2 MET A1010 -4.292 30.655 -4.145 1.00 0.00 H new ATOM 0 HG3 MET A1010 -3.786 31.007 -2.504 1.00 0.00 H new ATOM 0 HE1 MET A1010 -6.773 32.361 -1.112 1.00 0.00 H new ATOM 0 HE2 MET A1010 -6.830 30.790 -1.945 1.00 0.00 H new ATOM 0 HE3 MET A1010 -5.351 31.292 -1.093 1.00 0.00 H new ATOM 1522 N THR A1011 -2.130 32.567 -0.911 1.00 0.00 N ATOM 1523 CA THR A1011 -2.123 33.335 0.323 1.00 0.00 C ATOM 1524 C THR A1011 -0.948 32.912 1.207 1.00 0.00 C ATOM 1525 O THR A1011 0.155 32.683 0.713 1.00 0.00 O ATOM 1526 CB THR A1011 -3.485 33.159 0.997 1.00 0.00 C ATOM 1527 OG1 THR A1011 -3.545 31.767 1.300 1.00 0.00 O ATOM 1528 CG2 THR A1011 -4.650 33.380 0.030 1.00 0.00 C ATOM 0 H THR A1011 -2.570 31.650 -0.840 1.00 0.00 H new ATOM 0 HA THR A1011 -1.976 34.397 0.127 1.00 0.00 H new ATOM 0 HB THR A1011 -3.569 33.855 1.832 1.00 0.00 H new ATOM 0 HG1 THR A1011 -3.795 31.267 0.495 1.00 0.00 H new ATOM 0 HG21 THR A1011 -5.593 33.243 0.559 1.00 0.00 H new ATOM 0 HG22 THR A1011 -4.603 34.392 -0.371 1.00 0.00 H new ATOM 0 HG23 THR A1011 -4.585 32.662 -0.788 1.00 0.00 H new ATOM 1536 N SER A1012 -1.224 32.822 2.499 1.00 0.00 N ATOM 1537 CA SER A1012 -0.204 32.431 3.457 1.00 0.00 C ATOM 1538 C SER A1012 -0.613 31.134 4.158 1.00 0.00 C ATOM 1539 O SER A1012 0.152 30.583 4.948 1.00 0.00 O ATOM 1540 CB SER A1012 0.037 33.537 4.487 1.00 0.00 C ATOM 1541 OG SER A1012 1.377 34.021 4.446 1.00 0.00 O ATOM 0 H SER A1012 -2.140 33.013 2.905 1.00 0.00 H new ATOM 0 HA SER A1012 0.728 32.266 2.916 1.00 0.00 H new ATOM 0 HB2 SER A1012 -0.652 34.361 4.302 1.00 0.00 H new ATOM 0 HB3 SER A1012 -0.181 33.157 5.485 1.00 0.00 H new ATOM 0 HG SER A1012 1.491 34.727 5.117 1.00 0.00 H new ATOM 1547 N LEU A1013 -1.818 30.683 3.842 1.00 0.00 N ATOM 1548 CA LEU A1013 -2.338 29.461 4.431 1.00 0.00 C ATOM 1549 C LEU A1013 -1.496 28.274 3.959 1.00 0.00 C ATOM 1550 O LEU A1013 -1.615 27.172 4.493 1.00 0.00 O ATOM 1551 CB LEU A1013 -3.831 29.314 4.130 1.00 0.00 C ATOM 1552 CG LEU A1013 -4.782 30.033 5.088 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -4.887 29.288 6.420 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -4.367 31.493 5.279 1.00 0.00 C ATOM 0 H LEU A1013 -2.449 31.142 3.185 1.00 0.00 H new ATOM 0 HA LEU A1013 -2.258 29.498 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -4.016 29.683 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -4.079 28.253 4.132 1.00 0.00 H new ATOM 0 HG LEU A1013 -5.777 30.036 4.643 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -5.569 29.821 7.082 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -5.264 28.281 6.245 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -3.902 29.231 6.884 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -5.060 31.981 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -3.359 31.534 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -4.386 32.006 4.317 1.00 0.00 H new ATOM 1566 N GLN A1014 -0.662 28.539 2.964 1.00 0.00 N ATOM 1567 CA GLN A1014 0.200 27.507 2.414 1.00 0.00 C ATOM 1568 C GLN A1014 0.693 26.580 3.526 1.00 0.00 C ATOM 1569 O GLN A1014 0.121 25.514 3.751 1.00 0.00 O ATOM 1570 CB GLN A1014 1.375 28.122 1.651 1.00 0.00 C ATOM 1571 CG GLN A1014 2.306 27.036 1.111 1.00 0.00 C ATOM 1572 CD GLN A1014 3.724 27.206 1.660 1.00 0.00 C ATOM 1573 OE1 GLN A1014 3.979 27.069 2.846 1.00 0.00 O ATOM 1574 NE2 GLN A1014 4.630 27.512 0.735 1.00 0.00 N ATOM 0 H GLN A1014 -0.565 29.454 2.524 1.00 0.00 H new ATOM 0 HA GLN A1014 -0.380 26.916 1.705 1.00 0.00 H new ATOM 0 HB2 GLN A1014 1.000 28.728 0.826 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.932 28.789 2.309 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.922 26.053 1.385 1.00 0.00 H new ATOM 0 HG3 GLN A1014 2.326 27.078 0.022 1.00 0.00 H new ATOM 0 HE21 GLN A1014 4.349 27.612 -0.240 1.00 0.00 H new ATOM 0 HE22 GLN A1014 5.605 27.647 1.001 1.00 0.00 H new ATOM 1583 N GLN A1015 1.750 27.019 4.194 1.00 0.00 N ATOM 1584 CA GLN A1015 2.327 26.242 5.277 1.00 0.00 C ATOM 1585 C GLN A1015 1.222 25.578 6.101 1.00 0.00 C ATOM 1586 O GLN A1015 1.412 24.486 6.634 1.00 0.00 O ATOM 1587 CB GLN A1015 3.222 27.113 6.161 1.00 0.00 C ATOM 1588 CG GLN A1015 2.668 28.536 6.269 1.00 0.00 C ATOM 1589 CD GLN A1015 3.114 29.200 7.573 1.00 0.00 C ATOM 1590 OE1 GLN A1015 4.205 29.735 7.686 1.00 0.00 O ATOM 1591 NE2 GLN A1015 2.212 29.138 8.548 1.00 0.00 N ATOM 0 H GLN A1015 2.222 27.904 4.006 1.00 0.00 H new ATOM 0 HA GLN A1015 2.951 25.460 4.844 1.00 0.00 H new ATOM 0 HB2 GLN A1015 3.297 26.672 7.155 1.00 0.00 H new ATOM 0 HB3 GLN A1015 4.230 27.142 5.748 1.00 0.00 H new ATOM 0 HG2 GLN A1015 3.009 29.128 5.420 1.00 0.00 H new ATOM 0 HG3 GLN A1015 1.579 28.511 6.223 1.00 0.00 H new ATOM 0 HE21 GLN A1015 1.318 28.675 8.387 1.00 0.00 H new ATOM 0 HE22 GLN A1015 2.414 29.554 9.457 1.00 0.00 H new ATOM 1600 N GLU A1016 0.092 26.266 6.180 1.00 0.00 N ATOM 1601 CA GLU A1016 -1.043 25.756 6.930 1.00 0.00 C ATOM 1602 C GLU A1016 -1.606 24.504 6.256 1.00 0.00 C ATOM 1603 O GLU A1016 -1.725 23.455 6.887 1.00 0.00 O ATOM 1604 CB GLU A1016 -2.123 26.828 7.085 1.00 0.00 C ATOM 1605 CG GLU A1016 -2.671 26.852 8.513 1.00 0.00 C ATOM 1606 CD GLU A1016 -2.456 28.222 9.161 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -1.386 28.812 8.897 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -3.365 28.647 9.905 1.00 0.00 O ATOM 0 H GLU A1016 -0.061 27.172 5.737 1.00 0.00 H new ATOM 0 HA GLU A1016 -0.701 25.484 7.929 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -1.709 27.805 6.834 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -2.935 26.636 6.383 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -3.735 26.614 8.502 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -2.178 26.083 9.108 1.00 0.00 H new ATOM 1615 N TYR A1017 -1.937 24.655 4.982 1.00 0.00 N ATOM 1616 CA TYR A1017 -2.485 23.549 4.215 1.00 0.00 C ATOM 1617 C TYR A1017 -1.423 22.476 3.964 1.00 0.00 C ATOM 1618 O TYR A1017 -1.751 21.309 3.757 1.00 0.00 O ATOM 1619 CB TYR A1017 -2.921 24.141 2.873 1.00 0.00 C ATOM 1620 CG TYR A1017 -4.421 24.424 2.775 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -5.116 24.852 3.888 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -5.079 24.252 1.575 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -6.529 25.118 3.796 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -6.491 24.518 1.483 1.00 0.00 C ATOM 1625 CZ TYR A1017 -7.146 24.938 2.598 1.00 0.00 C ATOM 1626 OH TYR A1017 -8.480 25.189 2.511 1.00 0.00 O ATOM 0 H TYR A1017 -1.836 25.526 4.462 1.00 0.00 H new ATOM 0 HA TYR A1017 -3.309 23.081 4.753 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -2.375 25.069 2.702 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -2.639 23.454 2.076 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -4.601 24.987 4.828 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -4.535 23.918 0.704 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -7.085 25.453 4.659 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -7.018 24.387 0.549 1.00 0.00 H new ATOM 0 HH TYR A1017 -8.668 26.084 2.862 1.00 0.00 H new ATOM 1636 N LYS A1018 -0.172 22.910 3.992 1.00 0.00 N ATOM 1637 CA LYS A1018 0.940 22.002 3.771 1.00 0.00 C ATOM 1638 C LYS A1018 0.949 20.936 4.868 1.00 0.00 C ATOM 1639 O LYS A1018 1.168 19.758 4.593 1.00 0.00 O ATOM 1640 CB LYS A1018 2.253 22.779 3.658 1.00 0.00 C ATOM 1641 CG LYS A1018 3.001 22.410 2.374 1.00 0.00 C ATOM 1642 CD LYS A1018 2.280 22.961 1.142 1.00 0.00 C ATOM 1643 CE LYS A1018 3.218 23.825 0.299 1.00 0.00 C ATOM 1644 NZ LYS A1018 2.676 23.997 -1.068 1.00 0.00 N ATOM 0 H LYS A1018 0.096 23.879 4.164 1.00 0.00 H new ATOM 0 HA LYS A1018 0.822 21.481 2.821 1.00 0.00 H new ATOM 0 HB2 LYS A1018 2.048 23.850 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.881 22.566 4.523 1.00 0.00 H new ATOM 0 HG2 LYS A1018 4.016 22.806 2.413 1.00 0.00 H new ATOM 0 HG3 LYS A1018 3.085 21.326 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A1018 1.900 22.136 0.539 1.00 0.00 H new ATOM 0 HD3 LYS A1018 1.418 23.551 1.454 1.00 0.00 H new ATOM 0 HE2 LYS A1018 3.347 24.799 0.771 1.00 0.00 H new ATOM 0 HE3 LYS A1018 4.203 23.362 0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 3.455 24.195 -1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 2.188 23.126 -1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 2.004 24.791 -1.078 1.00 0.00 H new ATOM 1658 N LYS A1019 0.709 21.389 6.090 1.00 0.00 N ATOM 1659 CA LYS A1019 0.686 20.489 7.231 1.00 0.00 C ATOM 1660 C LYS A1019 -0.562 19.608 7.155 1.00 0.00 C ATOM 1661 O LYS A1019 -0.537 18.453 7.577 1.00 0.00 O ATOM 1662 CB LYS A1019 0.804 21.277 8.537 1.00 0.00 C ATOM 1663 CG LYS A1019 2.209 21.151 9.129 1.00 0.00 C ATOM 1664 CD LYS A1019 3.168 22.154 8.484 1.00 0.00 C ATOM 1665 CE LYS A1019 4.050 21.474 7.436 1.00 0.00 C ATOM 1666 NZ LYS A1019 5.359 21.105 8.019 1.00 0.00 N ATOM 0 H LYS A1019 0.529 22.367 6.315 1.00 0.00 H new ATOM 0 HA LYS A1019 1.549 19.823 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A1019 0.576 22.327 8.354 1.00 0.00 H new ATOM 0 HB3 LYS A1019 0.069 20.911 9.254 1.00 0.00 H new ATOM 0 HG2 LYS A1019 2.170 21.320 10.205 1.00 0.00 H new ATOM 0 HG3 LYS A1019 2.581 20.138 8.978 1.00 0.00 H new ATOM 0 HD2 LYS A1019 2.599 22.959 8.019 1.00 0.00 H new ATOM 0 HD3 LYS A1019 3.794 22.609 9.251 1.00 0.00 H new ATOM 0 HE2 LYS A1019 3.551 20.583 7.055 1.00 0.00 H new ATOM 0 HE3 LYS A1019 4.199 22.143 6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 5.945 20.645 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 5.841 21.961 8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 5.213 20.450 8.813 1.00 0.00 H new ATOM 1680 N GLN A1020 -1.624 20.186 6.613 1.00 0.00 N ATOM 1681 CA GLN A1020 -2.879 19.467 6.476 1.00 0.00 C ATOM 1682 C GLN A1020 -2.670 18.182 5.672 1.00 0.00 C ATOM 1683 O GLN A1020 -2.892 17.084 6.181 1.00 0.00 O ATOM 1684 CB GLN A1020 -3.949 20.350 5.831 1.00 0.00 C ATOM 1685 CG GLN A1020 -4.392 21.461 6.785 1.00 0.00 C ATOM 1686 CD GLN A1020 -5.682 21.076 7.512 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -5.874 19.948 7.936 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -6.553 22.074 7.633 1.00 0.00 N ATOM 0 H GLN A1020 -1.641 21.144 6.264 1.00 0.00 H new ATOM 0 HA GLN A1020 -3.230 19.196 7.472 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -3.558 20.789 4.913 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -4.809 19.741 5.553 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -3.604 21.656 7.513 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -4.546 22.385 6.227 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -6.329 22.995 7.255 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -7.444 21.919 8.104 1.00 0.00 H new ATOM 1697 N MET A1021 -2.245 18.362 4.430 1.00 0.00 N ATOM 1698 CA MET A1021 -2.004 17.230 3.551 1.00 0.00 C ATOM 1699 C MET A1021 -0.950 16.291 4.142 1.00 0.00 C ATOM 1700 O MET A1021 -0.934 15.100 3.837 1.00 0.00 O ATOM 1701 CB MET A1021 -1.530 17.736 2.187 1.00 0.00 C ATOM 1702 CG MET A1021 -0.152 18.393 2.294 1.00 0.00 C ATOM 1703 SD MET A1021 0.655 18.382 0.703 1.00 0.00 S ATOM 1704 CE MET A1021 0.834 16.623 0.458 1.00 0.00 C ATOM 0 H MET A1021 -2.061 19.274 4.012 1.00 0.00 H new ATOM 0 HA MET A1021 -2.936 16.675 3.440 1.00 0.00 H new ATOM 0 HB2 MET A1021 -1.487 16.906 1.482 1.00 0.00 H new ATOM 0 HB3 MET A1021 -2.249 18.453 1.791 1.00 0.00 H new ATOM 0 HG2 MET A1021 -0.255 19.418 2.651 1.00 0.00 H new ATOM 0 HG3 MET A1021 0.458 17.861 3.024 1.00 0.00 H new ATOM 0 HE1 MET A1021 1.887 16.350 0.535 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.264 16.090 1.219 1.00 0.00 H new ATOM 0 HE3 MET A1021 0.461 16.353 -0.530 1.00 0.00 H new ATOM 1714 N LEU A1022 -0.096 16.864 4.978 1.00 0.00 N ATOM 1715 CA LEU A1022 0.958 16.093 5.615 1.00 0.00 C ATOM 1716 C LEU A1022 0.335 15.101 6.599 1.00 0.00 C ATOM 1717 O LEU A1022 0.687 13.922 6.604 1.00 0.00 O ATOM 1718 CB LEU A1022 1.992 17.023 6.252 1.00 0.00 C ATOM 1719 CG LEU A1022 3.270 16.356 6.763 1.00 0.00 C ATOM 1720 CD1 LEU A1022 3.022 15.646 8.096 1.00 0.00 C ATOM 1721 CD2 LEU A1022 3.854 15.411 5.711 1.00 0.00 C ATOM 0 H LEU A1022 -0.113 17.853 5.229 1.00 0.00 H new ATOM 0 HA LEU A1022 1.503 15.508 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A1022 2.270 17.781 5.520 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.519 17.543 7.085 1.00 0.00 H new ATOM 0 HG LEU A1022 4.012 17.134 6.945 1.00 0.00 H new ATOM 0 HD11 LEU A1022 3.946 15.180 8.438 1.00 0.00 H new ATOM 0 HD12 LEU A1022 2.686 16.371 8.837 1.00 0.00 H new ATOM 0 HD13 LEU A1022 2.257 14.881 7.964 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.762 14.950 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.126 14.635 5.475 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.091 15.974 4.808 1.00 0.00 H new ATOM 1733 N THR A1023 -0.579 15.614 7.409 1.00 0.00 N ATOM 1734 CA THR A1023 -1.254 14.788 8.395 1.00 0.00 C ATOM 1735 C THR A1023 -1.815 13.525 7.738 1.00 0.00 C ATOM 1736 O THR A1023 -1.637 12.422 8.253 1.00 0.00 O ATOM 1737 CB THR A1023 -2.323 15.644 9.077 1.00 0.00 C ATOM 1738 OG1 THR A1023 -1.727 16.935 9.170 1.00 0.00 O ATOM 1739 CG2 THR A1023 -2.559 15.237 10.533 1.00 0.00 C ATOM 0 H THR A1023 -0.868 16.592 7.403 1.00 0.00 H new ATOM 0 HA THR A1023 -0.560 14.438 9.160 1.00 0.00 H new ATOM 0 HB THR A1023 -3.258 15.566 8.522 1.00 0.00 H new ATOM 0 HG1 THR A1023 -1.970 17.465 8.382 1.00 0.00 H new ATOM 0 HG21 THR A1023 -3.327 15.876 10.970 1.00 0.00 H new ATOM 0 HG22 THR A1023 -2.886 14.198 10.572 1.00 0.00 H new ATOM 0 HG23 THR A1023 -1.632 15.347 11.096 1.00 0.00 H new ATOM 1747 N ALA A1024 -2.482 13.729 6.612 1.00 0.00 N ATOM 1748 CA ALA A1024 -3.070 12.620 5.880 1.00 0.00 C ATOM 1749 C ALA A1024 -1.957 11.697 5.379 1.00 0.00 C ATOM 1750 O ALA A1024 -2.069 10.476 5.475 1.00 0.00 O ATOM 1751 CB ALA A1024 -3.935 13.162 4.740 1.00 0.00 C ATOM 0 H ALA A1024 -2.628 14.645 6.189 1.00 0.00 H new ATOM 0 HA ALA A1024 -3.718 12.032 6.530 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -4.376 12.330 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -4.728 13.787 5.151 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -3.318 13.755 4.065 1.00 0.00 H new ATOM 1757 N ALA A1025 -0.909 12.316 4.856 1.00 0.00 N ATOM 1758 CA ALA A1025 0.223 11.566 4.340 1.00 0.00 C ATOM 1759 C ALA A1025 0.715 10.592 5.413 1.00 0.00 C ATOM 1760 O ALA A1025 1.222 9.517 5.095 1.00 0.00 O ATOM 1761 CB ALA A1025 1.316 12.537 3.888 1.00 0.00 C ATOM 0 H ALA A1025 -0.820 13.329 4.779 1.00 0.00 H new ATOM 0 HA ALA A1025 -0.070 10.978 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A1025 2.165 11.974 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.924 13.187 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.638 13.143 4.735 1.00 0.00 H new ATOM 1767 N HIS A1026 0.549 11.004 6.661 1.00 0.00 N ATOM 1768 CA HIS A1026 0.970 10.182 7.783 1.00 0.00 C ATOM 1769 C HIS A1026 0.127 8.906 7.829 1.00 0.00 C ATOM 1770 O HIS A1026 0.664 7.800 7.788 1.00 0.00 O ATOM 1771 CB HIS A1026 0.917 10.976 9.089 1.00 0.00 C ATOM 1772 CG HIS A1026 2.201 10.941 9.883 1.00 0.00 C ATOM 1773 ND1 HIS A1026 2.592 11.969 10.722 1.00 0.00 N ATOM 1774 CD2 HIS A1026 3.178 9.992 9.956 1.00 0.00 C ATOM 1775 CE1 HIS A1026 3.754 11.643 11.270 1.00 0.00 C ATOM 1776 NE2 HIS A1026 4.115 10.418 10.793 1.00 0.00 N ATOM 0 H HIS A1026 0.129 11.896 6.920 1.00 0.00 H new ATOM 0 HA HIS A1026 2.010 9.884 7.650 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.671 12.013 8.862 1.00 0.00 H new ATOM 0 HB3 HIS A1026 0.109 10.585 9.707 1.00 0.00 H new ATOM 0 HD2 HIS A1026 3.187 9.053 9.423 1.00 0.00 H new ATOM 0 HE1 HIS A1026 4.316 12.242 11.971 1.00 0.00 H new ATOM 0 HE2 HIS A1026 4.966 9.912 11.039 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.181 9.103 7.914 1.00 0.00 N ATOM 1785 CA ALA A1027 -2.104 7.982 7.967 1.00 0.00 C ATOM 1786 C ALA A1027 -2.107 7.266 6.615 1.00 0.00 C ATOM 1787 O ALA A1027 -2.232 6.043 6.556 1.00 0.00 O ATOM 1788 CB ALA A1027 -3.494 8.483 8.365 1.00 0.00 C ATOM 0 H ALA A1027 -1.623 10.022 7.947 1.00 0.00 H new ATOM 0 HA ALA A1027 -1.790 7.261 8.721 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -4.186 7.642 8.405 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -3.443 8.958 9.345 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -3.844 9.207 7.629 1.00 0.00 H new ATOM 1794 N LEU A1028 -1.969 8.057 5.562 1.00 0.00 N ATOM 1795 CA LEU A1028 -1.954 7.514 4.214 1.00 0.00 C ATOM 1796 C LEU A1028 -0.801 6.517 4.083 1.00 0.00 C ATOM 1797 O LEU A1028 -1.025 5.329 3.857 1.00 0.00 O ATOM 1798 CB LEU A1028 -1.912 8.643 3.182 1.00 0.00 C ATOM 1799 CG LEU A1028 -3.264 9.102 2.634 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -3.564 8.442 1.287 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -4.380 8.858 3.653 1.00 0.00 C ATOM 0 H LEU A1028 -1.866 9.070 5.615 1.00 0.00 H new ATOM 0 HA LEU A1028 -2.874 6.965 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -1.415 9.502 3.633 1.00 0.00 H new ATOM 0 HB3 LEU A1028 -1.294 8.320 2.344 1.00 0.00 H new ATOM 0 HG LEU A1028 -3.214 10.177 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -4.531 8.786 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -2.788 8.710 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -3.587 7.359 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -5.331 9.193 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -4.438 7.794 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -4.167 9.413 4.566 1.00 0.00 H new ATOM 1813 N ALA A1029 0.409 7.038 4.230 1.00 0.00 N ATOM 1814 CA ALA A1029 1.598 6.208 4.131 1.00 0.00 C ATOM 1815 C ALA A1029 1.335 4.865 4.814 1.00 0.00 C ATOM 1816 O ALA A1029 1.678 3.813 4.275 1.00 0.00 O ATOM 1817 CB ALA A1029 2.789 6.949 4.741 1.00 0.00 C ATOM 0 H ALA A1029 0.591 8.024 4.417 1.00 0.00 H new ATOM 0 HA ALA A1029 1.839 6.005 3.088 1.00 0.00 H new ATOM 0 HB1 ALA A1029 3.681 6.327 4.667 1.00 0.00 H new ATOM 0 HB2 ALA A1029 2.952 7.882 4.202 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.584 7.166 5.789 1.00 0.00 H new ATOM 1823 N VAL A1030 0.729 4.943 5.989 1.00 0.00 N ATOM 1824 CA VAL A1030 0.416 3.746 6.751 1.00 0.00 C ATOM 1825 C VAL A1030 -0.697 2.971 6.042 1.00 0.00 C ATOM 1826 O VAL A1030 -0.616 1.752 5.899 1.00 0.00 O ATOM 1827 CB VAL A1030 0.060 4.120 8.191 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -0.765 3.017 8.856 1.00 0.00 C ATOM 1829 CG2 VAL A1030 1.319 4.429 9.004 1.00 0.00 C ATOM 0 H VAL A1030 0.446 5.817 6.433 1.00 0.00 H new ATOM 0 HA VAL A1030 1.285 3.090 6.805 1.00 0.00 H new ATOM 0 HB VAL A1030 -0.550 5.023 8.162 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -1.005 3.308 9.879 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -1.688 2.865 8.296 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -0.191 2.090 8.868 1.00 0.00 H new ATOM 0 HG21 VAL A1030 1.038 4.692 10.024 1.00 0.00 H new ATOM 0 HG22 VAL A1030 1.966 3.552 9.020 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.851 5.264 8.548 1.00 0.00 H new ATOM 1839 N ASP A1031 -1.711 3.711 5.617 1.00 0.00 N ATOM 1840 CA ASP A1031 -2.839 3.109 4.927 1.00 0.00 C ATOM 1841 C ASP A1031 -2.325 2.059 3.940 1.00 0.00 C ATOM 1842 O ASP A1031 -2.735 0.900 3.992 1.00 0.00 O ATOM 1843 CB ASP A1031 -3.624 4.157 4.136 1.00 0.00 C ATOM 1844 CG ASP A1031 -5.129 3.903 4.042 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -5.733 3.669 5.111 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -5.643 3.948 2.903 1.00 0.00 O ATOM 0 H ASP A1031 -1.775 4.722 5.737 1.00 0.00 H new ATOM 0 HA ASP A1031 -3.491 2.659 5.675 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -3.463 5.132 4.595 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -3.216 4.209 3.127 1.00 0.00 H new ATOM 1851 N ALA A1032 -1.436 2.501 3.064 1.00 0.00 N ATOM 1852 CA ALA A1032 -0.862 1.614 2.066 1.00 0.00 C ATOM 1853 C ALA A1032 -0.246 0.400 2.764 1.00 0.00 C ATOM 1854 O ALA A1032 -0.420 -0.733 2.317 1.00 0.00 O ATOM 1855 CB ALA A1032 0.158 2.383 1.225 1.00 0.00 C ATOM 0 H ALA A1032 -1.098 3.463 3.024 1.00 0.00 H new ATOM 0 HA ALA A1032 -1.633 1.249 1.388 1.00 0.00 H new ATOM 0 HB1 ALA A1032 0.588 1.717 0.477 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.336 3.218 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.950 2.763 1.871 1.00 0.00 H new ATOM 1861 N LYS A1033 0.462 0.677 3.849 1.00 0.00 N ATOM 1862 CA LYS A1033 1.105 -0.378 4.613 1.00 0.00 C ATOM 1863 C LYS A1033 0.068 -1.441 4.979 1.00 0.00 C ATOM 1864 O LYS A1033 0.238 -2.616 4.657 1.00 0.00 O ATOM 1865 CB LYS A1033 1.840 0.207 5.822 1.00 0.00 C ATOM 1866 CG LYS A1033 2.868 -0.785 6.371 1.00 0.00 C ATOM 1867 CD LYS A1033 2.180 -2.014 6.967 1.00 0.00 C ATOM 1868 CE LYS A1033 3.075 -2.694 8.005 1.00 0.00 C ATOM 1869 NZ LYS A1033 2.509 -2.533 9.363 1.00 0.00 N ATOM 0 H LYS A1033 0.604 1.617 4.217 1.00 0.00 H new ATOM 0 HA LYS A1033 1.869 -0.871 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A1033 2.339 1.133 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A1033 1.121 0.460 6.601 1.00 0.00 H new ATOM 0 HG2 LYS A1033 3.543 -1.093 5.573 1.00 0.00 H new ATOM 0 HG3 LYS A1033 3.476 -0.299 7.134 1.00 0.00 H new ATOM 0 HD2 LYS A1033 1.239 -1.719 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A1033 1.937 -2.720 6.173 1.00 0.00 H new ATOM 0 HE2 LYS A1033 3.175 -3.754 7.770 1.00 0.00 H new ATOM 0 HE3 LYS A1033 4.076 -2.264 7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 3.279 -2.533 10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 1.991 -1.633 9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 1.859 -3.320 9.564 1.00 0.00 H new ATOM 1883 N ASN A1034 -0.983 -0.991 5.648 1.00 0.00 N ATOM 1884 CA ASN A1034 -2.048 -1.889 6.061 1.00 0.00 C ATOM 1885 C ASN A1034 -2.381 -2.842 4.911 1.00 0.00 C ATOM 1886 O ASN A1034 -2.586 -4.035 5.129 1.00 0.00 O ATOM 1887 CB ASN A1034 -3.318 -1.112 6.414 1.00 0.00 C ATOM 1888 CG ASN A1034 -2.992 0.108 7.277 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -1.949 0.198 7.903 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -3.941 1.040 7.276 1.00 0.00 N ATOM 0 H ASN A1034 -1.120 -0.016 5.914 1.00 0.00 H new ATOM 0 HA ASN A1034 -1.705 -2.437 6.938 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -3.819 -0.792 5.500 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -4.011 -1.764 6.946 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -3.819 1.893 7.822 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -4.791 0.902 6.729 1.00 0.00 H new ATOM 1897 N LEU A1035 -2.424 -2.280 3.713 1.00 0.00 N ATOM 1898 CA LEU A1035 -2.728 -3.064 2.528 1.00 0.00 C ATOM 1899 C LEU A1035 -1.860 -4.324 2.519 1.00 0.00 C ATOM 1900 O LEU A1035 -2.374 -5.437 2.620 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.584 -2.209 1.268 1.00 0.00 C ATOM 1902 CG LEU A1035 -3.390 -2.668 0.050 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -3.344 -1.621 -1.064 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -2.918 -4.041 -0.434 1.00 0.00 C ATOM 0 H LEU A1035 -2.253 -1.290 3.537 1.00 0.00 H new ATOM 0 HA LEU A1035 -3.767 -3.392 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -2.879 -1.188 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.530 -2.179 0.991 1.00 0.00 H new ATOM 0 HG LEU A1035 -4.433 -2.773 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -3.924 -1.972 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -3.765 -0.684 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -2.310 -1.460 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -3.507 -4.344 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -1.865 -3.987 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -3.045 -4.772 0.365 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.559 -4.106 2.398 1.00 0.00 N ATOM 1917 CA LEU A1036 0.386 -5.210 2.375 1.00 0.00 C ATOM 1918 C LEU A1036 0.375 -5.914 3.733 1.00 0.00 C ATOM 1919 O LEU A1036 0.453 -7.140 3.802 1.00 0.00 O ATOM 1920 CB LEU A1036 1.771 -4.721 1.947 1.00 0.00 C ATOM 1921 CG LEU A1036 2.525 -5.618 0.963 1.00 0.00 C ATOM 1922 CD1 LEU A1036 2.638 -4.952 -0.410 1.00 0.00 C ATOM 1923 CD2 LEU A1036 3.892 -6.017 1.521 1.00 0.00 C ATOM 0 H LEU A1036 -0.137 -3.181 2.315 1.00 0.00 H new ATOM 0 HA LEU A1036 0.090 -5.949 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.663 -3.734 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A1036 2.384 -4.600 2.840 1.00 0.00 H new ATOM 0 HG LEU A1036 1.952 -6.536 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A1036 3.178 -5.610 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A1036 1.640 -4.761 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A1036 3.176 -4.009 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.407 -6.654 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A1036 4.486 -5.122 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A1036 3.759 -6.560 2.457 1.00 0.00 H new ATOM 1935 N ASP A1037 0.276 -5.109 4.780 1.00 0.00 N ATOM 1936 CA ASP A1037 0.254 -5.639 6.133 1.00 0.00 C ATOM 1937 C ASP A1037 -0.656 -6.868 6.179 1.00 0.00 C ATOM 1938 O ASP A1037 -0.305 -7.883 6.778 1.00 0.00 O ATOM 1939 CB ASP A1037 -0.295 -4.607 7.120 1.00 0.00 C ATOM 1940 CG ASP A1037 -0.044 -4.926 8.595 1.00 0.00 C ATOM 1941 OD1 ASP A1037 1.147 -4.965 8.973 1.00 0.00 O ATOM 1942 OD2 ASP A1037 -1.049 -5.124 9.312 1.00 0.00 O ATOM 0 H ASP A1037 0.210 -4.093 4.719 1.00 0.00 H new ATOM 0 HA ASP A1037 1.276 -5.896 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A1037 0.148 -3.637 6.893 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -1.369 -4.511 6.962 1.00 0.00 H new ATOM 1947 N VAL A1038 -1.808 -6.736 5.538 1.00 0.00 N ATOM 1948 CA VAL A1038 -2.772 -7.823 5.498 1.00 0.00 C ATOM 1949 C VAL A1038 -2.213 -8.963 4.643 1.00 0.00 C ATOM 1950 O VAL A1038 -2.397 -10.135 4.967 1.00 0.00 O ATOM 1951 CB VAL A1038 -4.123 -7.308 4.999 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -5.093 -8.464 4.750 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -4.718 -6.294 5.977 1.00 0.00 C ATOM 0 H VAL A1038 -2.096 -5.893 5.042 1.00 0.00 H new ATOM 0 HA VAL A1038 -2.941 -8.220 6.499 1.00 0.00 H new ATOM 0 HB VAL A1038 -3.957 -6.800 4.049 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -6.046 -8.070 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -4.676 -9.134 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -5.250 -9.013 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -5.678 -5.944 5.598 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -4.862 -6.767 6.949 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -4.039 -5.448 6.082 1.00 0.00 H new ATOM 1963 N ILE A1039 -1.542 -8.578 3.567 1.00 0.00 N ATOM 1964 CA ILE A1039 -0.956 -9.553 2.663 1.00 0.00 C ATOM 1965 C ILE A1039 -0.004 -10.460 3.445 1.00 0.00 C ATOM 1966 O ILE A1039 -0.098 -11.684 3.362 1.00 0.00 O ATOM 1967 CB ILE A1039 -0.297 -8.851 1.473 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -1.300 -8.642 0.337 1.00 0.00 C ATOM 1969 CG2 ILE A1039 0.946 -9.612 1.008 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -0.690 -7.798 -0.784 1.00 0.00 C ATOM 0 H ILE A1039 -1.391 -7.605 3.301 1.00 0.00 H new ATOM 0 HA ILE A1039 -1.730 -10.193 2.239 1.00 0.00 H new ATOM 0 HB ILE A1039 0.033 -7.864 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.613 -9.608 -0.059 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.194 -8.151 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A1039 1.395 -9.092 0.162 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.666 -9.666 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A1039 0.663 -10.621 0.706 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.424 -7.664 -1.579 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -0.401 -6.824 -0.390 1.00 0.00 H new ATOM 0 HD13 ILE A1039 0.189 -8.304 -1.183 1.00 0.00 H new ATOM 1982 N ASP A1040 0.891 -9.825 4.188 1.00 0.00 N ATOM 1983 CA ASP A1040 1.858 -10.560 4.985 1.00 0.00 C ATOM 1984 C ASP A1040 1.126 -11.592 5.845 1.00 0.00 C ATOM 1985 O ASP A1040 1.566 -12.735 5.958 1.00 0.00 O ATOM 1986 CB ASP A1040 2.626 -9.624 5.921 1.00 0.00 C ATOM 1987 CG ASP A1040 3.969 -10.163 6.416 1.00 0.00 C ATOM 1988 OD1 ASP A1040 4.874 -10.301 5.564 1.00 0.00 O ATOM 1989 OD2 ASP A1040 4.062 -10.425 7.634 1.00 0.00 O ATOM 0 H ASP A1040 0.967 -8.810 4.255 1.00 0.00 H new ATOM 0 HA ASP A1040 2.558 -11.043 4.303 1.00 0.00 H new ATOM 0 HB2 ASP A1040 2.799 -8.680 5.404 1.00 0.00 H new ATOM 0 HB3 ASP A1040 1.999 -9.404 6.785 1.00 0.00 H new ATOM 1994 N GLN A1041 0.021 -11.152 6.429 1.00 0.00 N ATOM 1995 CA GLN A1041 -0.776 -12.024 7.275 1.00 0.00 C ATOM 1996 C GLN A1041 -1.488 -13.080 6.428 1.00 0.00 C ATOM 1997 O GLN A1041 -1.752 -14.185 6.900 1.00 0.00 O ATOM 1998 CB GLN A1041 -1.779 -11.217 8.102 1.00 0.00 C ATOM 1999 CG GLN A1041 -1.241 -10.950 9.509 1.00 0.00 C ATOM 2000 CD GLN A1041 -0.332 -9.720 9.524 1.00 0.00 C ATOM 2001 OE1 GLN A1041 0.814 -9.757 9.108 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -0.905 -8.630 10.026 1.00 0.00 N ATOM 0 H GLN A1041 -0.341 -10.203 6.333 1.00 0.00 H new ATOM 0 HA GLN A1041 -0.108 -12.534 7.970 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -1.989 -10.271 7.603 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -2.722 -11.759 8.166 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -2.072 -10.801 10.198 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -0.687 -11.820 9.862 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -1.869 -8.667 10.357 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -0.380 -7.757 10.080 1.00 0.00 H new ATOM 2011 N ALA A1042 -1.778 -12.704 5.191 1.00 0.00 N ATOM 2012 CA ALA A1042 -2.454 -13.605 4.274 1.00 0.00 C ATOM 2013 C ALA A1042 -1.481 -14.700 3.831 1.00 0.00 C ATOM 2014 O ALA A1042 -1.814 -15.883 3.867 1.00 0.00 O ATOM 2015 CB ALA A1042 -3.011 -12.808 3.092 1.00 0.00 C ATOM 0 H ALA A1042 -1.557 -11.787 4.803 1.00 0.00 H new ATOM 0 HA ALA A1042 -3.296 -14.091 4.766 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -3.518 -13.484 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.719 -12.063 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -2.193 -12.308 2.573 1.00 0.00 H new ATOM 2021 N ARG A1043 -0.297 -14.266 3.425 1.00 0.00 N ATOM 2022 CA ARG A1043 0.727 -15.194 2.977 1.00 0.00 C ATOM 2023 C ARG A1043 0.842 -16.369 3.951 1.00 0.00 C ATOM 2024 O ARG A1043 0.568 -17.511 3.587 1.00 0.00 O ATOM 2025 CB ARG A1043 2.086 -14.502 2.861 1.00 0.00 C ATOM 2026 CG ARG A1043 3.100 -15.399 2.148 1.00 0.00 C ATOM 2027 CD ARG A1043 3.405 -14.873 0.744 1.00 0.00 C ATOM 2028 NE ARG A1043 4.859 -14.635 0.597 1.00 0.00 N ATOM 2029 CZ ARG A1043 5.530 -13.667 1.237 1.00 0.00 C ATOM 2030 NH1 ARG A1043 4.882 -12.841 2.070 1.00 0.00 N ATOM 2031 NH2 ARG A1043 6.848 -13.525 1.043 1.00 0.00 N ATOM 0 H ARG A1043 -0.024 -13.284 3.397 1.00 0.00 H new ATOM 0 HA ARG A1043 0.434 -15.560 1.993 1.00 0.00 H new ATOM 0 HB2 ARG A1043 1.976 -13.566 2.314 1.00 0.00 H new ATOM 0 HB3 ARG A1043 2.455 -14.249 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A1043 4.020 -15.448 2.730 1.00 0.00 H new ATOM 0 HG3 ARG A1043 2.710 -16.415 2.083 1.00 0.00 H new ATOM 0 HD2 ARG A1043 3.068 -15.591 -0.003 1.00 0.00 H new ATOM 0 HD3 ARG A1043 2.857 -13.948 0.566 1.00 0.00 H new ATOM 0 HE ARG A1043 5.383 -15.246 -0.030 1.00 0.00 H new ATOM 0 HH11 ARG A1043 3.878 -12.949 2.217 1.00 0.00 H new ATOM 0 HH12 ARG A1043 5.392 -12.104 2.557 1.00 0.00 H new ATOM 0 HH21 ARG A1043 7.341 -14.153 0.408 1.00 0.00 H new ATOM 0 HH22 ARG A1043 7.359 -12.788 1.530 1.00 0.00 H new ATOM 2045 N LEU A1044 1.249 -16.047 5.170 1.00 0.00 N ATOM 2046 CA LEU A1044 1.404 -17.061 6.199 1.00 0.00 C ATOM 2047 C LEU A1044 0.207 -18.013 6.155 1.00 0.00 C ATOM 2048 O LEU A1044 0.373 -19.229 6.236 1.00 0.00 O ATOM 2049 CB LEU A1044 1.620 -16.408 7.566 1.00 0.00 C ATOM 2050 CG LEU A1044 0.674 -15.259 7.918 1.00 0.00 C ATOM 2051 CD1 LEU A1044 -0.586 -15.780 8.614 1.00 0.00 C ATOM 2052 CD2 LEU A1044 1.390 -14.195 8.752 1.00 0.00 C ATOM 0 H LEU A1044 1.476 -15.098 5.468 1.00 0.00 H new ATOM 0 HA LEU A1044 2.295 -17.660 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A1044 1.526 -17.177 8.333 1.00 0.00 H new ATOM 0 HB3 LEU A1044 2.644 -16.036 7.611 1.00 0.00 H new ATOM 0 HG LEU A1044 0.357 -14.782 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -1.242 -14.943 8.854 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -1.107 -16.472 7.952 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -0.307 -16.297 9.532 1.00 0.00 H new ATOM 0 HD21 LEU A1044 0.695 -13.389 8.989 1.00 0.00 H new ATOM 0 HD22 LEU A1044 1.755 -14.642 9.676 1.00 0.00 H new ATOM 0 HD23 LEU A1044 2.231 -13.794 8.186 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.973 -17.424 6.027 1.00 0.00 N ATOM 2065 CA LYS A1045 -2.197 -18.204 5.971 1.00 0.00 C ATOM 2066 C LYS A1045 -1.970 -19.439 5.097 1.00 0.00 C ATOM 2067 O LYS A1045 -2.568 -20.488 5.331 1.00 0.00 O ATOM 2068 CB LYS A1045 -3.368 -17.333 5.513 1.00 0.00 C ATOM 2069 CG LYS A1045 -4.655 -17.711 6.250 1.00 0.00 C ATOM 2070 CD LYS A1045 -5.255 -16.498 6.963 1.00 0.00 C ATOM 2071 CE LYS A1045 -6.638 -16.824 7.531 1.00 0.00 C ATOM 2072 NZ LYS A1045 -6.537 -17.196 8.960 1.00 0.00 N ATOM 0 H LYS A1045 -1.107 -16.415 5.960 1.00 0.00 H new ATOM 0 HA LYS A1045 -2.466 -18.561 6.965 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -3.137 -16.283 5.693 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -3.513 -17.448 4.439 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -5.378 -18.116 5.542 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -4.445 -18.497 6.976 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -4.593 -16.181 7.769 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -5.332 -15.663 6.266 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -7.296 -15.962 7.419 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -7.086 -17.642 6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -7.484 -17.414 9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -5.926 -18.032 9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -6.130 -16.404 9.497 1.00 0.00 H new ATOM 2086 N MET A1046 -1.105 -19.273 4.107 1.00 0.00 N ATOM 2087 CA MET A1046 -0.792 -20.361 3.196 1.00 0.00 C ATOM 2088 C MET A1046 0.359 -21.213 3.735 1.00 0.00 C ATOM 2089 O MET A1046 0.235 -22.432 3.847 1.00 0.00 O ATOM 2090 CB MET A1046 -0.408 -19.789 1.830 1.00 0.00 C ATOM 2091 CG MET A1046 0.333 -20.830 0.988 1.00 0.00 C ATOM 2092 SD MET A1046 0.687 -20.166 -0.630 1.00 0.00 S ATOM 2093 CE MET A1046 1.596 -18.700 -0.172 1.00 0.00 C ATOM 0 H MET A1046 -0.611 -18.401 3.916 1.00 0.00 H new ATOM 0 HA MET A1046 -1.674 -20.994 3.099 1.00 0.00 H new ATOM 0 HB2 MET A1046 -1.305 -19.462 1.304 1.00 0.00 H new ATOM 0 HB3 MET A1046 0.222 -18.909 1.964 1.00 0.00 H new ATOM 0 HG2 MET A1046 1.261 -21.117 1.483 1.00 0.00 H new ATOM 0 HG3 MET A1046 -0.271 -21.732 0.896 1.00 0.00 H new ATOM 0 HE1 MET A1046 2.269 -18.421 -0.983 1.00 0.00 H new ATOM 0 HE2 MET A1046 0.899 -17.884 0.018 1.00 0.00 H new ATOM 0 HE3 MET A1046 2.177 -18.899 0.729 1.00 0.00 H new ATOM 2103 N ILE A1047 1.453 -20.538 4.055 1.00 0.00 N ATOM 2104 CA ILE A1047 2.625 -21.218 4.580 1.00 0.00 C ATOM 2105 C ILE A1047 2.194 -22.205 5.666 1.00 0.00 C ATOM 2106 O ILE A1047 2.515 -23.390 5.596 1.00 0.00 O ATOM 2107 CB ILE A1047 3.668 -20.202 5.051 1.00 0.00 C ATOM 2108 CG1 ILE A1047 4.394 -19.570 3.862 1.00 0.00 C ATOM 2109 CG2 ILE A1047 4.642 -20.837 6.046 1.00 0.00 C ATOM 2110 CD1 ILE A1047 4.291 -18.044 3.905 1.00 0.00 C ATOM 0 H ILE A1047 1.553 -19.527 3.961 1.00 0.00 H new ATOM 0 HA ILE A1047 3.111 -21.799 3.796 1.00 0.00 H new ATOM 0 HB ILE A1047 3.150 -19.399 5.575 1.00 0.00 H new ATOM 0 HG12 ILE A1047 5.443 -19.868 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A1047 3.966 -19.941 2.931 1.00 0.00 H new ATOM 0 HG21 ILE A1047 5.373 -20.094 6.365 1.00 0.00 H new ATOM 0 HG22 ILE A1047 4.091 -21.200 6.914 1.00 0.00 H new ATOM 0 HG23 ILE A1047 5.157 -21.671 5.569 1.00 0.00 H new ATOM 0 HD11 ILE A1047 4.815 -17.620 3.049 1.00 0.00 H new ATOM 0 HD12 ILE A1047 3.242 -17.749 3.871 1.00 0.00 H new ATOM 0 HD13 ILE A1047 4.742 -17.675 4.826 1.00 0.00 H new