USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 964 LYS NZ :NH3+ 166:sc= -0.0431 (180deg=-0.243) USER MOD Set 1.2: A1010 THR OG1 : rot -150:sc= 0 USER MOD Set 2.1: A1007 SER OG : rot -91:sc= 0.543 USER MOD Set 2.2: A1012 HIS : no HE2:sc= 0.404 K(o=0.95,f=-3.4!) USER MOD Set 3.1: A 991 THR OG1 : rot 70:sc= -0.38! USER MOD Set 3.2: A 994 HIS : no HD1:sc= 0.929 K(o=0.55,f=-4.8) USER MOD Single : A 962 SER OG : rot 180:sc= 0 USER MOD Single : A 965 THR OG1 : rot 180:sc= 0 USER MOD Single : A 971 ASN : amide:sc= -0.935 K(o=-0.93,f=-5.4!) USER MOD Single : A 973 MET CE :methyl 141:sc= -0.124 (180deg=-0.551) USER MOD Single : A 975 HIS : no HD1:sc= -0.815 X(o=-0.81,f=-0.99) USER MOD Single : A 978 THR OG1 : rot 180:sc= -0.0269 USER MOD Single : A 981 GLN :FLIP amide:sc=-0.00861 F(o=-1.1,f=-0.0086) USER MOD Single : A 984 SER OG : rot -83:sc= 1.48 USER MOD Single : A 987 THR OG1 : rot 170:sc= -0.861 USER MOD Single : A 988 TYR OH : rot 161:sc= -0.151 USER MOD Single : A 989 SER OG : rot 180:sc= 0 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 999 HIS : no HD1:sc= -0.0926 X(o=-0.093,f=-0.073) USER MOD Single : A1000 SER OG : rot -42:sc= 0.918 USER MOD Single : A1001 SER OG : rot 44:sc= 0.699 USER MOD Single : A1009 ASN : amide:sc= -0.597 X(o=-0.6,f=-0.21) USER MOD Single : A1014 SER OG : rot -30:sc= 0.462 USER MOD Single : A1015 THR OG1 : rot 160:sc= 0.0166 USER MOD Single : A1016 LYS NZ :NH3+ 165:sc= -0.054 (180deg=-0.311) USER MOD Single : A1021 GLN : amide:sc= -0.748 K(o=-0.75,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 962 12.263 4.951 -4.051 1.00 0.00 N ATOM 76 CA SER A 962 11.109 5.117 -4.928 1.00 0.00 C ATOM 77 C SER A 962 10.357 3.800 -5.093 1.00 0.00 C ATOM 78 O SER A 962 10.379 3.188 -6.160 1.00 0.00 O ATOM 79 CB SER A 962 11.549 5.645 -6.296 1.00 0.00 C ATOM 80 OG SER A 962 10.438 5.811 -7.160 1.00 0.00 O ATOM 0 HA SER A 962 10.437 5.842 -4.468 1.00 0.00 H new ATOM 0 HB2 SER A 962 12.064 6.598 -6.173 1.00 0.00 H new ATOM 0 HB3 SER A 962 12.262 4.953 -6.744 1.00 0.00 H new ATOM 0 HG SER A 962 10.745 6.151 -8.026 1.00 0.00 H new ATOM 86 N CYS A 963 9.687 3.376 -4.026 1.00 0.00 N ATOM 87 CA CYS A 963 8.902 2.147 -4.051 1.00 0.00 C ATOM 88 C CYS A 963 7.818 2.212 -5.121 1.00 0.00 C ATOM 89 O CYS A 963 7.443 3.293 -5.575 1.00 0.00 O ATOM 90 CB CYS A 963 8.267 1.897 -2.683 1.00 0.00 C ATOM 91 SG CYS A 963 9.469 1.626 -1.343 1.00 0.00 S ATOM 0 H CYS A 963 9.672 3.867 -3.132 1.00 0.00 H new ATOM 0 HA CYS A 963 9.574 1.323 -4.291 1.00 0.00 H new ATOM 0 HB2 CYS A 963 7.638 2.749 -2.425 1.00 0.00 H new ATOM 0 HB3 CYS A 963 7.613 1.027 -2.751 1.00 0.00 H new ATOM 96 N LYS A 964 7.314 1.046 -5.512 1.00 0.00 N ATOM 97 CA LYS A 964 6.240 0.968 -6.494 1.00 0.00 C ATOM 98 C LYS A 964 4.879 0.981 -5.806 1.00 0.00 C ATOM 99 O LYS A 964 4.505 0.019 -5.135 1.00 0.00 O ATOM 100 CB LYS A 964 6.386 -0.299 -7.339 1.00 0.00 C ATOM 101 CG LYS A 964 7.707 -0.382 -8.084 1.00 0.00 C ATOM 102 CD LYS A 964 7.815 -1.670 -8.887 1.00 0.00 C ATOM 103 CE LYS A 964 9.141 -1.757 -9.624 1.00 0.00 C ATOM 104 NZ LYS A 964 10.300 -1.730 -8.689 1.00 0.00 N ATOM 0 H LYS A 964 7.633 0.142 -5.163 1.00 0.00 H new ATOM 0 HA LYS A 964 6.308 1.839 -7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 964 6.287 -1.171 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 964 5.569 -0.342 -8.059 1.00 0.00 H new ATOM 0 HG2 LYS A 964 7.803 0.474 -8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 964 8.531 -0.325 -7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 964 7.711 -2.526 -8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 964 6.995 -1.723 -9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 964 9.170 -2.675 -10.211 1.00 0.00 H new ATOM 0 HE3 LYS A 964 9.221 -0.927 -10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 11.160 -2.026 -9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 10.428 -0.765 -8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 10.122 -2.380 -7.897 1.00 0.00 H new ATOM 118 N THR A 965 4.150 2.081 -5.970 1.00 0.00 N ATOM 119 CA THR A 965 2.847 2.238 -5.333 1.00 0.00 C ATOM 120 C THR A 965 1.938 1.051 -5.636 1.00 0.00 C ATOM 121 O THR A 965 1.865 0.591 -6.776 1.00 0.00 O ATOM 122 CB THR A 965 2.150 3.532 -5.793 1.00 0.00 C ATOM 123 OG1 THR A 965 1.944 3.501 -7.212 1.00 0.00 O ATOM 124 CG2 THR A 965 2.978 4.754 -5.423 1.00 0.00 C ATOM 0 H THR A 965 4.440 2.877 -6.539 1.00 0.00 H new ATOM 0 HA THR A 965 3.026 2.290 -4.259 1.00 0.00 H new ATOM 0 HB THR A 965 1.187 3.598 -5.288 1.00 0.00 H new ATOM 0 HG1 THR A 965 1.499 4.327 -7.496 1.00 0.00 H new ATOM 0 HG21 THR A 965 2.466 5.656 -5.758 1.00 0.00 H new ATOM 0 HG22 THR A 965 3.108 4.791 -4.341 1.00 0.00 H new ATOM 0 HG23 THR A 965 3.954 4.691 -5.904 1.00 0.00 H new ATOM 132 N PRO A 966 1.243 0.527 -4.610 1.00 0.00 N ATOM 133 CA PRO A 966 0.398 -0.663 -4.754 1.00 0.00 C ATOM 134 C PRO A 966 -0.773 -0.427 -5.703 1.00 0.00 C ATOM 135 O PRO A 966 -1.491 0.566 -5.576 1.00 0.00 O ATOM 136 CB PRO A 966 -0.114 -0.928 -3.332 1.00 0.00 C ATOM 137 CG PRO A 966 0.776 -0.138 -2.433 1.00 0.00 C ATOM 138 CD PRO A 966 1.229 1.047 -3.234 1.00 0.00 C ATOM 0 HA PRO A 966 0.952 -1.500 -5.179 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -1.154 -0.618 -3.225 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -0.071 -1.990 -3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 966 0.243 0.178 -1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 966 1.627 -0.735 -2.104 1.00 0.00 H new ATOM 0 HD2 PRO A 966 0.547 1.891 -3.128 1.00 0.00 H new ATOM 0 HD3 PRO A 966 2.215 1.392 -2.922 1.00 0.00 H new ATOM 146 N PRO A 967 -0.983 -1.339 -6.670 1.00 0.00 N ATOM 147 CA PRO A 967 -2.082 -1.226 -7.636 1.00 0.00 C ATOM 148 C PRO A 967 -3.448 -1.314 -6.965 1.00 0.00 C ATOM 149 O PRO A 967 -3.719 -2.244 -6.207 1.00 0.00 O ATOM 150 CB PRO A 967 -1.866 -2.418 -8.573 1.00 0.00 C ATOM 151 CG PRO A 967 -1.053 -3.384 -7.783 1.00 0.00 C ATOM 152 CD PRO A 967 -0.174 -2.551 -6.894 1.00 0.00 C ATOM 0 HA PRO A 967 -2.076 -0.264 -8.149 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -2.816 -2.858 -8.878 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -1.347 -2.116 -9.483 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -1.692 -4.043 -7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -0.457 -4.020 -8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 967 0.055 -3.062 -5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 967 0.778 -2.318 -7.371 1.00 0.00 H new ATOM 160 N ASP A 968 -4.300 -0.331 -7.242 1.00 0.00 N ATOM 161 CA ASP A 968 -5.617 -0.262 -6.620 1.00 0.00 C ATOM 162 C ASP A 968 -6.562 -1.302 -7.220 1.00 0.00 C ATOM 163 O ASP A 968 -6.947 -1.201 -8.385 1.00 0.00 O ATOM 164 CB ASP A 968 -6.210 1.138 -6.792 1.00 0.00 C ATOM 165 CG ASP A 968 -5.346 2.213 -6.162 1.00 0.00 C ATOM 166 OD1 ASP A 968 -5.551 2.516 -4.968 1.00 0.00 O ATOM 167 OD2 ASP A 968 -4.463 2.752 -6.863 1.00 0.00 O ATOM 0 H ASP A 968 -4.101 0.428 -7.893 1.00 0.00 H new ATOM 0 HA ASP A 968 -5.500 -0.475 -5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -6.332 1.350 -7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -7.204 1.166 -6.345 1.00 0.00 H new ATOM 172 N PRO A 969 -6.954 -2.316 -6.425 1.00 0.00 N ATOM 173 CA PRO A 969 -7.897 -3.349 -6.866 1.00 0.00 C ATOM 174 C PRO A 969 -9.285 -2.781 -7.143 1.00 0.00 C ATOM 175 O PRO A 969 -9.450 -1.572 -7.300 1.00 0.00 O ATOM 176 CB PRO A 969 -7.951 -4.330 -5.685 1.00 0.00 C ATOM 177 CG PRO A 969 -6.766 -4.000 -4.841 1.00 0.00 C ATOM 178 CD PRO A 969 -6.516 -2.534 -5.039 1.00 0.00 C ATOM 0 HA PRO A 969 -7.579 -3.810 -7.801 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -8.878 -4.217 -5.122 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -7.912 -5.363 -6.030 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -6.959 -4.225 -3.792 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -5.898 -4.588 -5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -7.085 -1.927 -4.334 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -5.465 -2.280 -4.902 1.00 0.00 H new ATOM 186 N VAL A 970 -10.280 -3.661 -7.191 1.00 0.00 N ATOM 187 CA VAL A 970 -11.662 -3.240 -7.385 1.00 0.00 C ATOM 188 C VAL A 970 -12.058 -2.176 -6.365 1.00 0.00 C ATOM 189 O VAL A 970 -11.851 -2.348 -5.163 1.00 0.00 O ATOM 190 CB VAL A 970 -12.635 -4.432 -7.276 1.00 0.00 C ATOM 191 CG1 VAL A 970 -12.552 -5.068 -5.897 1.00 0.00 C ATOM 192 CG2 VAL A 970 -14.057 -3.992 -7.587 1.00 0.00 C ATOM 0 H VAL A 970 -10.155 -4.669 -7.098 1.00 0.00 H new ATOM 0 HA VAL A 970 -11.729 -2.821 -8.389 1.00 0.00 H new ATOM 0 HB VAL A 970 -12.344 -5.182 -8.012 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -13.246 -5.907 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -11.537 -5.424 -5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -12.813 -4.329 -5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -14.728 -4.847 -7.505 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -14.362 -3.221 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -14.101 -3.592 -8.600 1.00 0.00 H new ATOM 202 N ASN A 971 -12.619 -1.074 -6.854 1.00 0.00 N ATOM 203 CA ASN A 971 -13.023 0.030 -5.989 1.00 0.00 C ATOM 204 C ASN A 971 -11.929 0.361 -4.976 1.00 0.00 C ATOM 205 O ASN A 971 -12.198 0.512 -3.784 1.00 0.00 O ATOM 206 CB ASN A 971 -14.323 -0.320 -5.265 1.00 0.00 C ATOM 207 CG ASN A 971 -15.464 -0.592 -6.226 1.00 0.00 C ATOM 208 OD1 ASN A 971 -15.254 -1.075 -7.339 1.00 0.00 O ATOM 209 ND2 ASN A 971 -16.681 -0.279 -5.801 1.00 0.00 N ATOM 0 H ASN A 971 -12.804 -0.922 -7.845 1.00 0.00 H new ATOM 0 HA ASN A 971 -13.186 0.910 -6.612 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -14.162 -1.197 -4.639 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -14.598 0.500 -4.601 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -17.488 -0.437 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -16.810 0.119 -4.871 1.00 0.00 H new ATOM 216 N GLY A 972 -10.694 0.461 -5.457 1.00 0.00 N ATOM 217 CA GLY A 972 -9.571 0.716 -4.573 1.00 0.00 C ATOM 218 C GLY A 972 -9.246 2.193 -4.457 1.00 0.00 C ATOM 219 O GLY A 972 -9.621 2.987 -5.319 1.00 0.00 O ATOM 0 H GLY A 972 -10.451 0.370 -6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -9.794 0.318 -3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -8.695 0.182 -4.941 1.00 0.00 H new ATOM 223 N MET A 973 -8.547 2.559 -3.387 1.00 0.00 N ATOM 224 CA MET A 973 -8.168 3.950 -3.160 1.00 0.00 C ATOM 225 C MET A 973 -7.051 4.049 -2.124 1.00 0.00 C ATOM 226 O MET A 973 -7.301 3.998 -0.920 1.00 0.00 O ATOM 227 CB MET A 973 -9.381 4.762 -2.701 1.00 0.00 C ATOM 228 CG MET A 973 -9.078 6.235 -2.475 1.00 0.00 C ATOM 229 SD MET A 973 -8.466 7.055 -3.960 1.00 0.00 S ATOM 230 CE MET A 973 -9.857 6.842 -5.066 1.00 0.00 C ATOM 0 H MET A 973 -8.232 1.912 -2.664 1.00 0.00 H new ATOM 0 HA MET A 973 -7.801 4.359 -4.101 1.00 0.00 H new ATOM 0 HB2 MET A 973 -10.171 4.673 -3.447 1.00 0.00 H new ATOM 0 HB3 MET A 973 -9.766 4.333 -1.776 1.00 0.00 H new ATOM 0 HG2 MET A 973 -9.982 6.739 -2.133 1.00 0.00 H new ATOM 0 HG3 MET A 973 -8.338 6.332 -1.680 1.00 0.00 H new ATOM 0 HE1 MET A 973 -9.993 7.747 -5.659 1.00 0.00 H new ATOM 0 HE2 MET A 973 -9.668 5.998 -5.730 1.00 0.00 H new ATOM 0 HE3 MET A 973 -10.759 6.651 -4.484 1.00 0.00 H new ATOM 240 N VAL A 974 -5.819 4.194 -2.603 1.00 0.00 N ATOM 241 CA VAL A 974 -4.665 4.329 -1.721 1.00 0.00 C ATOM 242 C VAL A 974 -4.315 5.798 -1.503 1.00 0.00 C ATOM 243 O VAL A 974 -4.564 6.640 -2.367 1.00 0.00 O ATOM 244 CB VAL A 974 -3.437 3.591 -2.290 1.00 0.00 C ATOM 245 CG1 VAL A 974 -3.031 4.180 -3.632 1.00 0.00 C ATOM 246 CG2 VAL A 974 -2.277 3.633 -1.307 1.00 0.00 C ATOM 0 H VAL A 974 -5.594 4.221 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 974 -4.935 3.879 -0.766 1.00 0.00 H new ATOM 0 HB VAL A 974 -3.709 2.547 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -2.163 3.645 -4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -3.857 4.084 -4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -2.782 5.234 -3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -1.422 3.106 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -2.003 4.670 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -2.573 3.153 -0.374 1.00 0.00 H new ATOM 256 N HIS A 975 -3.745 6.102 -0.341 1.00 0.00 N ATOM 257 CA HIS A 975 -3.411 7.478 0.009 1.00 0.00 C ATOM 258 C HIS A 975 -1.964 7.585 0.478 1.00 0.00 C ATOM 259 O HIS A 975 -1.478 6.735 1.223 1.00 0.00 O ATOM 260 CB HIS A 975 -4.350 7.991 1.103 1.00 0.00 C ATOM 261 CG HIS A 975 -5.796 7.963 0.714 1.00 0.00 C ATOM 262 ND1 HIS A 975 -6.697 7.057 1.233 1.00 0.00 N ATOM 263 CD2 HIS A 975 -6.497 8.738 -0.145 1.00 0.00 C ATOM 264 CE1 HIS A 975 -7.889 7.277 0.708 1.00 0.00 C ATOM 265 NE2 HIS A 975 -7.796 8.292 -0.130 1.00 0.00 N ATOM 0 H HIS A 975 -3.505 5.415 0.373 1.00 0.00 H new ATOM 0 HA HIS A 975 -3.532 8.092 -0.884 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -4.212 7.388 2.001 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -4.071 9.013 1.360 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -6.108 9.556 -0.733 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -8.788 6.720 0.928 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -8.563 8.682 -0.677 1.00 0.00 H new ATOM 274 N VAL A 976 -1.283 8.641 0.044 1.00 0.00 N ATOM 275 CA VAL A 976 0.088 8.893 0.468 1.00 0.00 C ATOM 276 C VAL A 976 0.121 9.785 1.706 1.00 0.00 C ATOM 277 O VAL A 976 -0.496 10.850 1.736 1.00 0.00 O ATOM 278 CB VAL A 976 0.915 9.548 -0.657 1.00 0.00 C ATOM 279 CG1 VAL A 976 0.281 10.857 -1.101 1.00 0.00 C ATOM 280 CG2 VAL A 976 2.352 9.767 -0.209 1.00 0.00 C ATOM 0 H VAL A 976 -1.659 9.336 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 976 0.531 7.927 0.710 1.00 0.00 H new ATOM 0 HB VAL A 976 0.925 8.871 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 976 0.881 11.301 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -0.726 10.666 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 976 0.233 11.543 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 976 2.918 10.230 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 976 2.366 10.420 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 976 2.803 8.809 0.048 1.00 0.00 H new ATOM 290 N ILE A 977 0.832 9.333 2.734 1.00 0.00 N ATOM 291 CA ILE A 977 0.888 10.056 4.000 1.00 0.00 C ATOM 292 C ILE A 977 2.079 11.008 4.041 1.00 0.00 C ATOM 293 O ILE A 977 1.975 12.123 4.553 1.00 0.00 O ATOM 294 CB ILE A 977 0.975 9.084 5.195 1.00 0.00 C ATOM 295 CG1 ILE A 977 -0.179 8.076 5.151 1.00 0.00 C ATOM 296 CG2 ILE A 977 0.964 9.855 6.509 1.00 0.00 C ATOM 297 CD1 ILE A 977 -1.551 8.714 5.168 1.00 0.00 C ATOM 0 H ILE A 977 1.377 8.471 2.716 1.00 0.00 H new ATOM 0 HA ILE A 977 -0.033 10.634 4.076 1.00 0.00 H new ATOM 0 HB ILE A 977 1.914 8.534 5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -0.083 7.468 4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -0.092 7.402 6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 977 1.026 9.155 7.342 1.00 0.00 H new ATOM 0 HG22 ILE A 977 1.817 10.533 6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 977 0.041 10.430 6.586 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -2.314 7.937 5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -1.669 9.299 6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -1.660 9.366 4.302 1.00 0.00 H new ATOM 309 N THR A 978 3.209 10.562 3.503 1.00 0.00 N ATOM 310 CA THR A 978 4.419 11.375 3.486 1.00 0.00 C ATOM 311 C THR A 978 5.146 11.258 2.150 1.00 0.00 C ATOM 312 O THR A 978 5.234 12.226 1.394 1.00 0.00 O ATOM 313 CB THR A 978 5.382 10.976 4.621 1.00 0.00 C ATOM 314 OG1 THR A 978 5.685 9.578 4.540 1.00 0.00 O ATOM 315 CG2 THR A 978 4.776 11.291 5.981 1.00 0.00 C ATOM 0 H THR A 978 3.312 9.643 3.073 1.00 0.00 H new ATOM 0 HA THR A 978 4.105 12.408 3.634 1.00 0.00 H new ATOM 0 HB THR A 978 6.300 11.553 4.507 1.00 0.00 H new ATOM 0 HG1 THR A 978 6.299 9.334 5.264 1.00 0.00 H new ATOM 0 HG21 THR A 978 5.474 11.001 6.766 1.00 0.00 H new ATOM 0 HG22 THR A 978 4.575 12.360 6.051 1.00 0.00 H new ATOM 0 HG23 THR A 978 3.844 10.738 6.101 1.00 0.00 H new ATOM 323 N ASP A 979 5.673 10.071 1.869 1.00 0.00 N ATOM 324 CA ASP A 979 6.430 9.839 0.645 1.00 0.00 C ATOM 325 C ASP A 979 6.256 8.401 0.166 1.00 0.00 C ATOM 326 O ASP A 979 5.403 7.668 0.666 1.00 0.00 O ATOM 327 CB ASP A 979 7.914 10.134 0.875 1.00 0.00 C ATOM 328 CG ASP A 979 8.164 11.579 1.262 1.00 0.00 C ATOM 329 OD1 ASP A 979 8.372 12.409 0.353 1.00 0.00 O ATOM 330 OD2 ASP A 979 8.153 11.879 2.475 1.00 0.00 O ATOM 0 H ASP A 979 5.589 9.254 2.474 1.00 0.00 H new ATOM 0 HA ASP A 979 6.048 10.511 -0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 979 8.294 9.480 1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 979 8.472 9.902 -0.032 1.00 0.00 H new ATOM 335 N ILE A 980 7.073 8.006 -0.805 1.00 0.00 N ATOM 336 CA ILE A 980 7.028 6.651 -1.340 1.00 0.00 C ATOM 337 C ILE A 980 8.400 5.987 -1.240 1.00 0.00 C ATOM 338 O ILE A 980 8.560 4.808 -1.556 1.00 0.00 O ATOM 339 CB ILE A 980 6.559 6.648 -2.811 1.00 0.00 C ATOM 340 CG1 ILE A 980 5.271 7.464 -2.959 1.00 0.00 C ATOM 341 CG2 ILE A 980 6.347 5.222 -3.305 1.00 0.00 C ATOM 342 CD1 ILE A 980 4.097 6.902 -2.184 1.00 0.00 C ATOM 0 H ILE A 980 7.775 8.606 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 980 6.311 6.086 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 980 7.335 7.109 -3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 980 5.459 8.485 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 980 5.005 7.517 -4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 980 6.017 5.242 -4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 980 7.283 4.669 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 980 5.589 4.734 -2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 980 3.223 7.534 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 980 3.881 5.892 -2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 980 4.341 6.875 -1.122 1.00 0.00 H new ATOM 354 N GLN A 981 9.386 6.754 -0.784 1.00 0.00 N ATOM 355 CA GLN A 981 10.738 6.238 -0.610 1.00 0.00 C ATOM 356 C GLN A 981 10.817 5.322 0.607 1.00 0.00 C ATOM 357 O GLN A 981 9.796 4.973 1.198 1.00 0.00 O ATOM 358 CB GLN A 981 11.732 7.391 -0.462 1.00 0.00 C ATOM 359 CG GLN A 981 11.785 8.309 -1.672 1.00 0.00 C ATOM 360 CD GLN A 981 12.742 9.471 -1.487 1.00 0.00 C ATOM 361 OE1 GLN A 981 12.888 9.928 -0.248 1.00 0.00 O flip ATOM 362 NE2 GLN A 981 13.341 9.955 -2.448 1.00 0.00 N flip ATOM 0 H GLN A 981 9.273 7.735 -0.529 1.00 0.00 H new ATOM 0 HA GLN A 981 10.996 5.658 -1.496 1.00 0.00 H new ATOM 0 HB2 GLN A 981 11.466 7.978 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 981 12.726 6.982 -0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 981 12.086 7.732 -2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 981 10.786 8.696 -1.873 1.00 0.00 H new ATOM 0 HE21 GLN A 981 13.199 9.572 -3.383 1.00 0.00 H new ATOM 0 HE22 GLN A 981 13.979 10.738 -2.309 1.00 0.00 H new ATOM 371 N VAL A 982 12.032 4.935 0.977 1.00 0.00 N ATOM 372 CA VAL A 982 12.236 4.062 2.127 1.00 0.00 C ATOM 373 C VAL A 982 11.824 4.755 3.422 1.00 0.00 C ATOM 374 O VAL A 982 12.098 5.939 3.618 1.00 0.00 O ATOM 375 CB VAL A 982 13.705 3.612 2.237 1.00 0.00 C ATOM 376 CG1 VAL A 982 13.894 2.678 3.423 1.00 0.00 C ATOM 377 CG2 VAL A 982 14.150 2.943 0.947 1.00 0.00 C ATOM 0 H VAL A 982 12.889 5.211 0.499 1.00 0.00 H new ATOM 0 HA VAL A 982 11.608 3.184 1.975 1.00 0.00 H new ATOM 0 HB VAL A 982 14.326 4.493 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 982 14.939 2.372 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 982 13.614 3.195 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 982 13.265 1.797 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 982 15.190 2.630 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 982 13.525 2.071 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 982 14.055 3.647 0.120 1.00 0.00 H new ATOM 387 N GLY A 983 11.159 4.009 4.299 1.00 0.00 N ATOM 388 CA GLY A 983 10.695 4.574 5.552 1.00 0.00 C ATOM 389 C GLY A 983 9.352 5.262 5.414 1.00 0.00 C ATOM 390 O GLY A 983 8.879 5.906 6.351 1.00 0.00 O ATOM 0 H GLY A 983 10.934 3.023 4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 983 10.620 3.783 6.298 1.00 0.00 H new ATOM 0 HA3 GLY A 983 11.431 5.290 5.919 1.00 0.00 H new ATOM 394 N SER A 984 8.736 5.125 4.244 1.00 0.00 N ATOM 395 CA SER A 984 7.436 5.740 3.988 1.00 0.00 C ATOM 396 C SER A 984 6.304 4.837 4.469 1.00 0.00 C ATOM 397 O SER A 984 6.396 3.613 4.385 1.00 0.00 O ATOM 398 CB SER A 984 7.269 6.034 2.498 1.00 0.00 C ATOM 399 OG SER A 984 7.230 4.835 1.742 1.00 0.00 O ATOM 0 H SER A 984 9.114 4.595 3.459 1.00 0.00 H new ATOM 0 HA SER A 984 7.392 6.678 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 984 6.351 6.599 2.336 1.00 0.00 H new ATOM 0 HB3 SER A 984 8.093 6.658 2.153 1.00 0.00 H new ATOM 0 HG SER A 984 8.144 4.533 1.560 1.00 0.00 H new ATOM 405 N ARG A 985 5.239 5.452 4.973 1.00 0.00 N ATOM 406 CA ARG A 985 4.100 4.702 5.491 1.00 0.00 C ATOM 407 C ARG A 985 2.787 5.261 4.951 1.00 0.00 C ATOM 408 O ARG A 985 2.189 6.154 5.551 1.00 0.00 O ATOM 409 CB ARG A 985 4.095 4.739 7.021 1.00 0.00 C ATOM 410 CG ARG A 985 2.962 3.941 7.647 1.00 0.00 C ATOM 411 CD ARG A 985 2.995 4.021 9.163 1.00 0.00 C ATOM 412 NE ARG A 985 4.248 3.506 9.711 1.00 0.00 N ATOM 413 CZ ARG A 985 4.554 3.531 11.004 1.00 0.00 C ATOM 414 NH1 ARG A 985 3.701 4.046 11.882 1.00 0.00 N ATOM 415 NH2 ARG A 985 5.713 3.042 11.423 1.00 0.00 N ATOM 0 H ARG A 985 5.141 6.465 5.034 1.00 0.00 H new ATOM 0 HA ARG A 985 4.195 3.668 5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 985 5.046 4.353 7.388 1.00 0.00 H new ATOM 0 HB3 ARG A 985 4.023 5.776 7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 985 2.006 4.317 7.283 1.00 0.00 H new ATOM 0 HG3 ARG A 985 3.034 2.899 7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 985 2.862 5.057 9.474 1.00 0.00 H new ATOM 0 HD3 ARG A 985 2.159 3.455 9.574 1.00 0.00 H new ATOM 0 HE ARG A 985 4.927 3.104 9.064 1.00 0.00 H new ATOM 0 HH11 ARG A 985 2.808 4.424 11.565 1.00 0.00 H new ATOM 0 HH12 ARG A 985 3.939 4.064 12.874 1.00 0.00 H new ATOM 0 HH21 ARG A 985 6.372 2.646 10.752 1.00 0.00 H new ATOM 0 HH22 ARG A 985 5.946 3.062 12.416 1.00 0.00 H new ATOM 429 N ILE A 986 2.338 4.720 3.822 1.00 0.00 N ATOM 430 CA ILE A 986 1.057 5.109 3.244 1.00 0.00 C ATOM 431 C ILE A 986 -0.092 4.365 3.917 1.00 0.00 C ATOM 432 O ILE A 986 0.125 3.540 4.803 1.00 0.00 O ATOM 433 CB ILE A 986 1.015 4.838 1.728 1.00 0.00 C ATOM 434 CG1 ILE A 986 1.339 3.369 1.441 1.00 0.00 C ATOM 435 CG2 ILE A 986 1.986 5.757 1.001 1.00 0.00 C ATOM 436 CD1 ILE A 986 1.199 2.989 -0.018 1.00 0.00 C ATOM 0 H ILE A 986 2.843 4.011 3.290 1.00 0.00 H new ATOM 0 HA ILE A 986 0.944 6.180 3.413 1.00 0.00 H new ATOM 0 HB ILE A 986 0.009 5.044 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 986 2.359 3.161 1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 986 0.680 2.738 2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 986 1.946 5.555 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 986 1.711 6.796 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 986 2.998 5.580 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 986 1.444 1.935 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 986 0.173 3.164 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 986 1.878 3.594 -0.618 1.00 0.00 H new ATOM 448 N THR A 987 -1.316 4.667 3.494 1.00 0.00 N ATOM 449 CA THR A 987 -2.501 4.060 4.091 1.00 0.00 C ATOM 450 C THR A 987 -3.493 3.615 3.022 1.00 0.00 C ATOM 451 O THR A 987 -3.867 4.392 2.144 1.00 0.00 O ATOM 452 CB THR A 987 -3.207 5.031 5.055 1.00 0.00 C ATOM 453 OG1 THR A 987 -3.576 6.230 4.361 1.00 0.00 O ATOM 454 CG2 THR A 987 -2.307 5.377 6.232 1.00 0.00 C ATOM 0 H THR A 987 -1.513 5.327 2.742 1.00 0.00 H new ATOM 0 HA THR A 987 -2.158 3.189 4.650 1.00 0.00 H new ATOM 0 HB THR A 987 -4.103 4.541 5.436 1.00 0.00 H new ATOM 0 HG1 THR A 987 -4.162 6.771 4.931 1.00 0.00 H new ATOM 0 HG21 THR A 987 -2.828 6.064 6.899 1.00 0.00 H new ATOM 0 HG22 THR A 987 -2.053 4.467 6.775 1.00 0.00 H new ATOM 0 HG23 THR A 987 -1.395 5.848 5.866 1.00 0.00 H new ATOM 462 N TYR A 988 -3.925 2.362 3.114 1.00 0.00 N ATOM 463 CA TYR A 988 -4.934 1.828 2.206 1.00 0.00 C ATOM 464 C TYR A 988 -6.306 1.819 2.871 1.00 0.00 C ATOM 465 O TYR A 988 -6.428 1.501 4.055 1.00 0.00 O ATOM 466 CB TYR A 988 -4.554 0.411 1.770 1.00 0.00 C ATOM 467 CG TYR A 988 -4.381 0.261 0.277 1.00 0.00 C ATOM 468 CD1 TYR A 988 -5.479 0.081 -0.554 1.00 0.00 C ATOM 469 CD2 TYR A 988 -3.119 0.299 -0.300 1.00 0.00 C ATOM 470 CE1 TYR A 988 -5.322 -0.056 -1.920 1.00 0.00 C ATOM 471 CE2 TYR A 988 -2.954 0.163 -1.664 1.00 0.00 C ATOM 472 CZ TYR A 988 -4.058 -0.016 -2.470 1.00 0.00 C ATOM 473 OH TYR A 988 -3.899 -0.152 -3.831 1.00 0.00 O ATOM 0 H TYR A 988 -3.591 1.695 3.810 1.00 0.00 H new ATOM 0 HA TYR A 988 -4.980 2.471 1.327 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -3.626 0.125 2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -5.323 -0.283 2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -6.470 0.048 -0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -2.252 0.437 0.329 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -6.185 -0.194 -2.554 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -1.965 0.197 -2.097 1.00 0.00 H new ATOM 0 HH TYR A 988 -3.020 0.193 -4.094 1.00 0.00 H new ATOM 483 N SER A 989 -7.335 2.187 2.113 1.00 0.00 N ATOM 484 CA SER A 989 -8.677 2.330 2.669 1.00 0.00 C ATOM 485 C SER A 989 -9.746 1.950 1.649 1.00 0.00 C ATOM 486 O SER A 989 -10.921 1.820 1.991 1.00 0.00 O ATOM 487 CB SER A 989 -8.901 3.766 3.141 1.00 0.00 C ATOM 488 OG SER A 989 -7.953 4.134 4.127 1.00 0.00 O ATOM 0 H SER A 989 -7.266 2.391 1.116 1.00 0.00 H new ATOM 0 HA SER A 989 -8.760 1.651 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 989 -8.830 4.446 2.292 1.00 0.00 H new ATOM 0 HB3 SER A 989 -9.908 3.866 3.546 1.00 0.00 H new ATOM 0 HG SER A 989 -8.118 5.058 4.411 1.00 0.00 H new ATOM 494 N CYS A 990 -9.333 1.788 0.394 1.00 0.00 N ATOM 495 CA CYS A 990 -10.267 1.490 -0.688 1.00 0.00 C ATOM 496 C CYS A 990 -11.340 2.569 -0.794 1.00 0.00 C ATOM 497 O CYS A 990 -11.220 3.638 -0.195 1.00 0.00 O ATOM 498 CB CYS A 990 -10.916 0.125 -0.462 1.00 0.00 C ATOM 499 SG CYS A 990 -9.788 -1.288 -0.698 1.00 0.00 S ATOM 0 H CYS A 990 -8.358 1.858 0.102 1.00 0.00 H new ATOM 0 HA CYS A 990 -9.709 1.469 -1.624 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -11.318 0.090 0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -11.760 0.019 -1.144 1.00 0.00 H new ATOM 504 N THR A 991 -12.390 2.281 -1.557 1.00 0.00 N ATOM 505 CA THR A 991 -13.496 3.208 -1.715 1.00 0.00 C ATOM 506 C THR A 991 -14.249 3.401 -0.402 1.00 0.00 C ATOM 507 O THR A 991 -14.128 2.593 0.519 1.00 0.00 O ATOM 508 CB THR A 991 -14.476 2.711 -2.790 1.00 0.00 C ATOM 509 OG1 THR A 991 -14.698 1.304 -2.638 1.00 0.00 O ATOM 510 CG2 THR A 991 -13.944 3.002 -4.185 1.00 0.00 C ATOM 0 H THR A 991 -12.494 1.409 -2.076 1.00 0.00 H new ATOM 0 HA THR A 991 -13.073 4.164 -2.024 1.00 0.00 H new ATOM 0 HB THR A 991 -15.420 3.241 -2.663 1.00 0.00 H new ATOM 0 HG1 THR A 991 -15.220 1.141 -1.825 1.00 0.00 H new ATOM 0 HG21 THR A 991 -14.655 2.641 -4.928 1.00 0.00 H new ATOM 0 HG22 THR A 991 -13.807 4.077 -4.305 1.00 0.00 H new ATOM 0 HG23 THR A 991 -12.988 2.497 -4.322 1.00 0.00 H new ATOM 518 N THR A 992 -15.022 4.481 -0.322 1.00 0.00 N ATOM 519 CA THR A 992 -15.779 4.793 0.884 1.00 0.00 C ATOM 520 C THR A 992 -16.939 3.821 1.070 1.00 0.00 C ATOM 521 O THR A 992 -17.925 3.867 0.334 1.00 0.00 O ATOM 522 CB THR A 992 -16.331 6.232 0.845 1.00 0.00 C ATOM 523 OG1 THR A 992 -15.257 7.164 0.671 1.00 0.00 O ATOM 524 CG2 THR A 992 -17.086 6.559 2.124 1.00 0.00 C ATOM 0 H THR A 992 -15.140 5.154 -1.079 1.00 0.00 H new ATOM 0 HA THR A 992 -15.090 4.699 1.724 1.00 0.00 H new ATOM 0 HB THR A 992 -17.021 6.308 0.004 1.00 0.00 H new ATOM 0 HG1 THR A 992 -15.616 8.076 0.645 1.00 0.00 H new ATOM 0 HG21 THR A 992 -17.465 7.579 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 992 -17.920 5.867 2.241 1.00 0.00 H new ATOM 0 HG23 THR A 992 -16.414 6.465 2.977 1.00 0.00 H new ATOM 532 N GLY A 993 -16.813 2.941 2.059 1.00 0.00 N ATOM 533 CA GLY A 993 -17.853 1.963 2.321 1.00 0.00 C ATOM 534 C GLY A 993 -17.356 0.538 2.185 1.00 0.00 C ATOM 535 O GLY A 993 -18.139 -0.409 2.244 1.00 0.00 O ATOM 0 H GLY A 993 -16.009 2.888 2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -18.244 2.114 3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -18.681 2.123 1.630 1.00 0.00 H new ATOM 539 N HIS A 994 -16.047 0.386 2.003 1.00 0.00 N ATOM 540 CA HIS A 994 -15.443 -0.932 1.853 1.00 0.00 C ATOM 541 C HIS A 994 -14.331 -1.140 2.876 1.00 0.00 C ATOM 542 O HIS A 994 -13.496 -0.260 3.087 1.00 0.00 O ATOM 543 CB HIS A 994 -14.888 -1.103 0.437 1.00 0.00 C ATOM 544 CG HIS A 994 -15.937 -1.029 -0.629 1.00 0.00 C ATOM 545 ND1 HIS A 994 -16.569 0.145 -0.984 1.00 0.00 N ATOM 546 CD2 HIS A 994 -16.467 -1.992 -1.420 1.00 0.00 C ATOM 547 CE1 HIS A 994 -17.441 -0.100 -1.946 1.00 0.00 C ATOM 548 NE2 HIS A 994 -17.399 -1.390 -2.228 1.00 0.00 N ATOM 0 H HIS A 994 -15.385 1.161 1.956 1.00 0.00 H new ATOM 0 HA HIS A 994 -16.216 -1.681 2.026 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -14.140 -0.332 0.253 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -14.379 -2.064 0.369 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -16.205 -3.040 -1.416 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -18.080 0.630 -2.421 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -17.967 -1.862 -2.932 1.00 0.00 H new ATOM 557 N ARG A 995 -14.330 -2.307 3.512 1.00 0.00 N ATOM 558 CA ARG A 995 -13.341 -2.620 4.537 1.00 0.00 C ATOM 559 C ARG A 995 -12.131 -3.324 3.929 1.00 0.00 C ATOM 560 O ARG A 995 -12.268 -4.341 3.249 1.00 0.00 O ATOM 561 CB ARG A 995 -13.964 -3.497 5.626 1.00 0.00 C ATOM 562 CG ARG A 995 -13.013 -3.835 6.765 1.00 0.00 C ATOM 563 CD ARG A 995 -12.712 -2.622 7.632 1.00 0.00 C ATOM 564 NE ARG A 995 -11.880 -1.641 6.939 1.00 0.00 N ATOM 565 CZ ARG A 995 -11.534 -0.467 7.461 1.00 0.00 C ATOM 566 NH1 ARG A 995 -11.948 -0.129 8.674 1.00 0.00 N ATOM 567 NH2 ARG A 995 -10.774 0.370 6.768 1.00 0.00 N ATOM 0 H ARG A 995 -15.004 -3.052 3.335 1.00 0.00 H new ATOM 0 HA ARG A 995 -13.007 -1.683 4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -14.837 -2.987 6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -14.318 -4.424 5.174 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -13.449 -4.622 7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -12.082 -4.229 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -13.648 -2.153 7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -12.208 -2.945 8.543 1.00 0.00 H new ATOM 0 HE ARG A 995 -11.546 -1.869 6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -12.533 -0.770 9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -11.681 0.772 9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -10.454 0.114 5.834 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -10.509 1.270 7.169 1.00 0.00 H new ATOM 581 N LEU A 996 -10.947 -2.776 4.184 1.00 0.00 N ATOM 582 CA LEU A 996 -9.708 -3.355 3.677 1.00 0.00 C ATOM 583 C LEU A 996 -9.374 -4.648 4.413 1.00 0.00 C ATOM 584 O LEU A 996 -9.431 -4.703 5.642 1.00 0.00 O ATOM 585 CB LEU A 996 -8.557 -2.359 3.836 1.00 0.00 C ATOM 586 CG LEU A 996 -7.300 -2.685 3.028 1.00 0.00 C ATOM 587 CD1 LEU A 996 -7.436 -2.170 1.604 1.00 0.00 C ATOM 588 CD2 LEU A 996 -6.068 -2.096 3.696 1.00 0.00 C ATOM 0 H LEU A 996 -10.820 -1.930 4.740 1.00 0.00 H new ATOM 0 HA LEU A 996 -9.846 -3.581 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -8.910 -1.370 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -8.288 -2.304 4.891 1.00 0.00 H new ATOM 0 HG LEU A 996 -7.184 -3.768 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -6.533 -2.410 1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -8.296 -2.641 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -7.577 -1.089 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -5.184 -2.338 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -6.173 -1.013 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -5.962 -2.514 4.697 1.00 0.00 H new ATOM 600 N ILE A 997 -9.013 -5.684 3.660 1.00 0.00 N ATOM 601 CA ILE A 997 -8.591 -6.946 4.256 1.00 0.00 C ATOM 602 C ILE A 997 -7.070 -7.014 4.356 1.00 0.00 C ATOM 603 O ILE A 997 -6.437 -7.914 3.803 1.00 0.00 O ATOM 604 CB ILE A 997 -9.109 -8.152 3.447 1.00 0.00 C ATOM 605 CG1 ILE A 997 -10.595 -7.975 3.113 1.00 0.00 C ATOM 606 CG2 ILE A 997 -8.886 -9.447 4.215 1.00 0.00 C ATOM 607 CD1 ILE A 997 -11.487 -7.873 4.333 1.00 0.00 C ATOM 0 H ILE A 997 -9.005 -5.674 2.640 1.00 0.00 H new ATOM 0 HA ILE A 997 -9.020 -6.991 5.257 1.00 0.00 H new ATOM 0 HB ILE A 997 -8.549 -8.206 2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -10.718 -7.076 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -10.924 -8.817 2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -9.258 -10.287 3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -7.821 -9.580 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -9.420 -9.403 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -12.523 -7.749 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -11.395 -8.782 4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -11.186 -7.014 4.933 1.00 0.00 H new ATOM 619 N GLY A 998 -6.487 -6.047 5.059 1.00 0.00 N ATOM 620 CA GLY A 998 -5.043 -5.988 5.187 1.00 0.00 C ATOM 621 C GLY A 998 -4.600 -5.321 6.476 1.00 0.00 C ATOM 622 O GLY A 998 -4.950 -5.771 7.567 1.00 0.00 O ATOM 0 H GLY A 998 -6.990 -5.303 5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -4.636 -6.999 5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -4.628 -5.443 4.339 1.00 0.00 H new ATOM 626 N HIS A 999 -3.820 -4.251 6.349 1.00 0.00 N ATOM 627 CA HIS A 999 -3.288 -3.551 7.510 1.00 0.00 C ATOM 628 C HIS A 999 -3.614 -2.061 7.446 1.00 0.00 C ATOM 629 O HIS A 999 -3.250 -1.295 8.341 1.00 0.00 O ATOM 630 CB HIS A 999 -1.773 -3.752 7.598 1.00 0.00 C ATOM 631 CG HIS A 999 -1.196 -3.374 8.925 1.00 0.00 C ATOM 632 ND1 HIS A 999 -0.003 -2.694 9.066 1.00 0.00 N ATOM 633 CD2 HIS A 999 -1.656 -3.587 10.179 1.00 0.00 C ATOM 634 CE1 HIS A 999 0.244 -2.508 10.351 1.00 0.00 C ATOM 635 NE2 HIS A 999 -0.743 -3.040 11.047 1.00 0.00 N ATOM 0 H HIS A 999 -3.543 -3.851 5.452 1.00 0.00 H new ATOM 0 HA HIS A 999 -3.757 -3.966 8.402 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -1.541 -4.797 7.395 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -1.290 -3.161 6.820 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -2.571 -4.093 10.448 1.00 0.00 H new ATOM 0 HE1 HIS A 999 1.107 -2.006 10.762 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -0.816 -3.044 12.064 1.00 0.00 H new ATOM 644 N SER A1000 -4.301 -1.657 6.381 1.00 0.00 N ATOM 645 CA SER A1000 -4.673 -0.258 6.187 1.00 0.00 C ATOM 646 C SER A1000 -3.435 0.635 6.162 1.00 0.00 C ATOM 647 O SER A1000 -3.486 1.797 6.567 1.00 0.00 O ATOM 648 CB SER A1000 -5.627 0.198 7.293 1.00 0.00 C ATOM 649 OG SER A1000 -6.060 1.530 7.078 1.00 0.00 O ATOM 0 H SER A1000 -4.612 -2.281 5.637 1.00 0.00 H new ATOM 0 HA SER A1000 -5.179 -0.172 5.226 1.00 0.00 H new ATOM 0 HB2 SER A1000 -6.490 -0.467 7.329 1.00 0.00 H new ATOM 0 HB3 SER A1000 -5.128 0.126 8.260 1.00 0.00 H new ATOM 0 HG SER A1000 -5.300 2.079 6.792 1.00 0.00 H new ATOM 655 N SER A1001 -2.322 0.078 5.690 1.00 0.00 N ATOM 656 CA SER A1001 -1.053 0.797 5.672 1.00 0.00 C ATOM 657 C SER A1001 0.018 -0.018 4.955 1.00 0.00 C ATOM 658 O SER A1001 -0.255 -1.105 4.446 1.00 0.00 O ATOM 659 CB SER A1001 -0.601 1.111 7.101 1.00 0.00 C ATOM 660 OG SER A1001 0.573 1.905 7.107 1.00 0.00 O ATOM 0 H SER A1001 -2.274 -0.869 5.315 1.00 0.00 H new ATOM 0 HA SER A1001 -1.198 1.732 5.131 1.00 0.00 H new ATOM 0 HB2 SER A1001 -1.398 1.633 7.630 1.00 0.00 H new ATOM 0 HB3 SER A1001 -0.416 0.181 7.639 1.00 0.00 H new ATOM 0 HG SER A1001 0.489 2.619 6.441 1.00 0.00 H new ATOM 666 N ALA A1002 1.237 0.512 4.921 1.00 0.00 N ATOM 667 CA ALA A1002 2.357 -0.184 4.298 1.00 0.00 C ATOM 668 C ALA A1002 3.685 0.464 4.679 1.00 0.00 C ATOM 669 O ALA A1002 3.712 1.565 5.231 1.00 0.00 O ATOM 670 CB ALA A1002 2.191 -0.203 2.787 1.00 0.00 C ATOM 0 H ALA A1002 1.474 1.421 5.318 1.00 0.00 H new ATOM 0 HA ALA A1002 2.365 -1.211 4.664 1.00 0.00 H new ATOM 0 HB1 ALA A1002 3.034 -0.726 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A1002 1.265 -0.717 2.529 1.00 0.00 H new ATOM 0 HB3 ALA A1002 2.155 0.820 2.412 1.00 0.00 H new ATOM 676 N GLU A1003 4.782 -0.228 4.389 1.00 0.00 N ATOM 677 CA GLU A1003 6.111 0.266 4.737 1.00 0.00 C ATOM 678 C GLU A1003 7.149 -0.192 3.716 1.00 0.00 C ATOM 679 O GLU A1003 7.183 -1.360 3.330 1.00 0.00 O ATOM 680 CB GLU A1003 6.506 -0.217 6.134 1.00 0.00 C ATOM 681 CG GLU A1003 7.882 0.254 6.578 1.00 0.00 C ATOM 682 CD GLU A1003 7.979 1.763 6.678 1.00 0.00 C ATOM 683 OE1 GLU A1003 7.650 2.309 7.754 1.00 0.00 O ATOM 684 OE2 GLU A1003 8.386 2.399 5.684 1.00 0.00 O ATOM 0 H GLU A1003 4.778 -1.131 3.915 1.00 0.00 H new ATOM 0 HA GLU A1003 6.079 1.356 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A1003 5.764 0.131 6.852 1.00 0.00 H new ATOM 0 HB3 GLU A1003 6.481 -1.307 6.152 1.00 0.00 H new ATOM 0 HG2 GLU A1003 8.117 -0.186 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A1003 8.631 -0.108 5.873 1.00 0.00 H new ATOM 691 N CYS A1004 7.996 0.738 3.287 1.00 0.00 N ATOM 692 CA CYS A1004 9.052 0.434 2.334 1.00 0.00 C ATOM 693 C CYS A1004 10.211 -0.291 3.009 1.00 0.00 C ATOM 694 O CYS A1004 11.057 0.332 3.651 1.00 0.00 O ATOM 695 CB CYS A1004 9.552 1.724 1.686 1.00 0.00 C ATOM 696 SG CYS A1004 8.517 2.319 0.311 1.00 0.00 S ATOM 0 H CYS A1004 7.969 1.712 3.587 1.00 0.00 H new ATOM 0 HA CYS A1004 8.641 -0.223 1.568 1.00 0.00 H new ATOM 0 HB2 CYS A1004 9.607 2.502 2.447 1.00 0.00 H new ATOM 0 HB3 CYS A1004 10.566 1.564 1.320 1.00 0.00 H new ATOM 701 N ILE A1005 10.250 -1.610 2.850 1.00 0.00 N ATOM 702 CA ILE A1005 11.337 -2.414 3.395 1.00 0.00 C ATOM 703 C ILE A1005 12.200 -3.007 2.288 1.00 0.00 C ATOM 704 O ILE A1005 11.841 -2.959 1.111 1.00 0.00 O ATOM 705 CB ILE A1005 10.808 -3.556 4.281 1.00 0.00 C ATOM 706 CG1 ILE A1005 9.782 -4.395 3.514 1.00 0.00 C ATOM 707 CG2 ILE A1005 10.202 -2.996 5.559 1.00 0.00 C ATOM 708 CD1 ILE A1005 9.357 -5.652 4.244 1.00 0.00 C ATOM 0 H ILE A1005 9.541 -2.144 2.348 1.00 0.00 H new ATOM 0 HA ILE A1005 11.943 -1.742 4.003 1.00 0.00 H new ATOM 0 HB ILE A1005 11.642 -4.203 4.553 1.00 0.00 H new ATOM 0 HG12 ILE A1005 8.901 -3.784 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A1005 10.202 -4.671 2.547 1.00 0.00 H new ATOM 0 HG21 ILE A1005 9.832 -3.815 6.176 1.00 0.00 H new ATOM 0 HG22 ILE A1005 10.962 -2.442 6.110 1.00 0.00 H new ATOM 0 HG23 ILE A1005 9.377 -2.329 5.309 1.00 0.00 H new ATOM 0 HD11 ILE A1005 8.630 -6.195 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A1005 10.228 -6.284 4.418 1.00 0.00 H new ATOM 0 HD13 ILE A1005 8.907 -5.383 5.200 1.00 0.00 H new ATOM 720 N LEU A1006 13.337 -3.573 2.679 1.00 0.00 N ATOM 721 CA LEU A1006 14.237 -4.227 1.734 1.00 0.00 C ATOM 722 C LEU A1006 14.555 -5.651 2.180 1.00 0.00 C ATOM 723 O LEU A1006 14.918 -5.884 3.333 1.00 0.00 O ATOM 724 CB LEU A1006 15.533 -3.424 1.593 1.00 0.00 C ATOM 725 CG LEU A1006 15.407 -2.123 0.799 1.00 0.00 C ATOM 726 CD1 LEU A1006 16.666 -1.282 0.954 1.00 0.00 C ATOM 727 CD2 LEU A1006 15.144 -2.419 -0.669 1.00 0.00 C ATOM 0 H LEU A1006 13.658 -3.592 3.647 1.00 0.00 H new ATOM 0 HA LEU A1006 13.737 -4.272 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A1006 15.906 -3.189 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A1006 16.282 -4.054 1.113 1.00 0.00 H new ATOM 0 HG LEU A1006 14.563 -1.558 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A1006 16.560 -0.360 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A1006 16.816 -1.042 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A1006 17.525 -1.841 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A1006 15.057 -1.482 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A1006 15.969 -3.003 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A1006 14.217 -2.984 -0.766 1.00 0.00 H new ATOM 739 N SER A1007 14.419 -6.599 1.257 1.00 0.00 N ATOM 740 CA SER A1007 14.707 -7.998 1.552 1.00 0.00 C ATOM 741 C SER A1007 15.221 -8.720 0.310 1.00 0.00 C ATOM 742 O SER A1007 15.322 -9.948 0.292 1.00 0.00 O ATOM 743 CB SER A1007 13.453 -8.697 2.081 1.00 0.00 C ATOM 744 OG SER A1007 12.411 -8.674 1.120 1.00 0.00 O ATOM 0 H SER A1007 14.112 -6.424 0.300 1.00 0.00 H new ATOM 0 HA SER A1007 15.483 -8.031 2.317 1.00 0.00 H new ATOM 0 HB2 SER A1007 13.690 -9.729 2.340 1.00 0.00 H new ATOM 0 HB3 SER A1007 13.119 -8.208 2.996 1.00 0.00 H new ATOM 0 HG SER A1007 11.859 -7.876 1.255 1.00 0.00 H new ATOM 750 N GLY A1008 15.546 -7.950 -0.723 1.00 0.00 N ATOM 751 CA GLY A1008 16.044 -8.533 -1.956 1.00 0.00 C ATOM 752 C GLY A1008 16.894 -7.565 -2.754 1.00 0.00 C ATOM 753 O GLY A1008 18.103 -7.468 -2.541 1.00 0.00 O ATOM 0 H GLY A1008 15.474 -6.933 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A1008 16.632 -9.421 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A1008 15.202 -8.860 -2.566 1.00 0.00 H new ATOM 757 N ASN A1009 16.262 -6.849 -3.679 1.00 0.00 N ATOM 758 CA ASN A1009 16.970 -5.894 -4.524 1.00 0.00 C ATOM 759 C ASN A1009 16.088 -4.690 -4.840 1.00 0.00 C ATOM 760 O ASN A1009 16.556 -3.690 -5.385 1.00 0.00 O ATOM 761 CB ASN A1009 17.421 -6.570 -5.822 1.00 0.00 C ATOM 762 CG ASN A1009 18.227 -5.644 -6.711 1.00 0.00 C ATOM 763 OD1 ASN A1009 19.450 -5.559 -6.593 1.00 0.00 O ATOM 764 ND2 ASN A1009 17.545 -4.945 -7.610 1.00 0.00 N ATOM 0 H ASN A1009 15.261 -6.912 -3.862 1.00 0.00 H new ATOM 0 HA ASN A1009 17.848 -5.544 -3.981 1.00 0.00 H new ATOM 0 HB2 ASN A1009 18.020 -7.448 -5.581 1.00 0.00 H new ATOM 0 HB3 ASN A1009 16.545 -6.921 -6.368 1.00 0.00 H new ATOM 0 HD21 ASN A1009 18.034 -4.307 -8.238 1.00 0.00 H new ATOM 0 HD22 ASN A1009 16.532 -5.046 -7.673 1.00 0.00 H new ATOM 771 N THR A1010 14.810 -4.795 -4.492 1.00 0.00 N ATOM 772 CA THR A1010 13.856 -3.723 -4.750 1.00 0.00 C ATOM 773 C THR A1010 13.001 -3.438 -3.520 1.00 0.00 C ATOM 774 O THR A1010 12.458 -4.354 -2.901 1.00 0.00 O ATOM 775 CB THR A1010 12.936 -4.063 -5.937 1.00 0.00 C ATOM 776 OG1 THR A1010 11.946 -3.041 -6.101 1.00 0.00 O ATOM 777 CG2 THR A1010 12.252 -5.408 -5.727 1.00 0.00 C ATOM 0 H THR A1010 14.411 -5.612 -4.030 1.00 0.00 H new ATOM 0 HA THR A1010 14.438 -2.835 -4.996 1.00 0.00 H new ATOM 0 HB THR A1010 13.550 -4.121 -6.836 1.00 0.00 H new ATOM 0 HG1 THR A1010 11.131 -3.433 -6.479 1.00 0.00 H new ATOM 0 HG21 THR A1010 11.608 -5.625 -6.579 1.00 0.00 H new ATOM 0 HG22 THR A1010 13.006 -6.189 -5.634 1.00 0.00 H new ATOM 0 HG23 THR A1010 11.652 -5.373 -4.818 1.00 0.00 H new ATOM 785 N ALA A1011 12.884 -2.161 -3.170 1.00 0.00 N ATOM 786 CA ALA A1011 12.087 -1.751 -2.020 1.00 0.00 C ATOM 787 C ALA A1011 10.602 -1.989 -2.268 1.00 0.00 C ATOM 788 O ALA A1011 9.993 -1.343 -3.121 1.00 0.00 O ATOM 789 CB ALA A1011 12.342 -0.289 -1.694 1.00 0.00 C ATOM 0 H ALA A1011 13.332 -1.391 -3.667 1.00 0.00 H new ATOM 0 HA ALA A1011 12.388 -2.359 -1.167 1.00 0.00 H new ATOM 0 HB1 ALA A1011 11.740 0.002 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A1011 13.398 -0.146 -1.463 1.00 0.00 H new ATOM 0 HB3 ALA A1011 12.072 0.327 -2.551 1.00 0.00 H new ATOM 795 N HIS A1012 10.024 -2.913 -1.509 1.00 0.00 N ATOM 796 CA HIS A1012 8.600 -3.211 -1.613 1.00 0.00 C ATOM 797 C HIS A1012 7.880 -2.854 -0.317 1.00 0.00 C ATOM 798 O HIS A1012 8.488 -2.337 0.621 1.00 0.00 O ATOM 799 CB HIS A1012 8.391 -4.691 -1.936 1.00 0.00 C ATOM 800 CG HIS A1012 8.929 -5.615 -0.887 1.00 0.00 C ATOM 801 ND1 HIS A1012 8.128 -6.239 0.047 1.00 0.00 N ATOM 802 CD2 HIS A1012 10.194 -6.021 -0.628 1.00 0.00 C ATOM 803 CE1 HIS A1012 8.878 -6.988 0.836 1.00 0.00 C ATOM 804 NE2 HIS A1012 10.134 -6.874 0.448 1.00 0.00 N ATOM 0 H HIS A1012 10.521 -3.470 -0.813 1.00 0.00 H new ATOM 0 HA HIS A1012 8.182 -2.609 -2.420 1.00 0.00 H new ATOM 0 HB2 HIS A1012 7.325 -4.880 -2.063 1.00 0.00 H new ATOM 0 HB3 HIS A1012 8.870 -4.918 -2.888 1.00 0.00 H new ATOM 0 HD1 HIS A1012 7.115 -6.138 0.117 1.00 0.00 H new ATOM 0 HD2 HIS A1012 11.084 -5.729 -1.166 1.00 0.00 H new ATOM 0 HE1 HIS A1012 8.523 -7.591 1.659 1.00 0.00 H new ATOM 813 N TRP A1013 6.581 -3.132 -0.270 1.00 0.00 N ATOM 814 CA TRP A1013 5.781 -2.840 0.913 1.00 0.00 C ATOM 815 C TRP A1013 5.622 -4.083 1.782 1.00 0.00 C ATOM 816 O TRP A1013 5.394 -5.182 1.275 1.00 0.00 O ATOM 817 CB TRP A1013 4.408 -2.304 0.504 1.00 0.00 C ATOM 818 CG TRP A1013 4.480 -1.088 -0.368 1.00 0.00 C ATOM 819 CD1 TRP A1013 4.304 -1.038 -1.721 1.00 0.00 C ATOM 820 CD2 TRP A1013 4.752 0.255 0.050 1.00 0.00 C ATOM 821 NE1 TRP A1013 4.446 0.253 -2.169 1.00 0.00 N ATOM 822 CE2 TRP A1013 4.721 1.065 -1.101 1.00 0.00 C ATOM 823 CE3 TRP A1013 5.016 0.853 1.286 1.00 0.00 C ATOM 824 CZ2 TRP A1013 4.944 2.439 -1.052 1.00 0.00 C ATOM 825 CZ3 TRP A1013 5.237 2.217 1.333 1.00 0.00 C ATOM 826 CH2 TRP A1013 5.199 2.997 0.171 1.00 0.00 C ATOM 0 H TRP A1013 6.061 -3.559 -1.037 1.00 0.00 H new ATOM 0 HA TRP A1013 6.300 -2.079 1.496 1.00 0.00 H new ATOM 0 HB2 TRP A1013 3.862 -3.087 -0.022 1.00 0.00 H new ATOM 0 HB3 TRP A1013 3.837 -2.065 1.401 1.00 0.00 H new ATOM 0 HD1 TRP A1013 4.085 -1.890 -2.348 1.00 0.00 H new ATOM 0 HE1 TRP A1013 4.361 0.557 -3.139 1.00 0.00 H new ATOM 0 HE3 TRP A1013 5.047 0.260 2.188 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 4.917 3.042 -1.947 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 5.442 2.689 2.282 1.00 0.00 H new ATOM 0 HH2 TRP A1013 5.374 4.060 0.241 1.00 0.00 H new ATOM 837 N SER A1014 5.765 -3.903 3.092 1.00 0.00 N ATOM 838 CA SER A1014 5.767 -5.026 4.026 1.00 0.00 C ATOM 839 C SER A1014 4.373 -5.628 4.168 1.00 0.00 C ATOM 840 O SER A1014 4.200 -6.670 4.800 1.00 0.00 O ATOM 841 CB SER A1014 6.278 -4.574 5.394 1.00 0.00 C ATOM 842 OG SER A1014 6.290 -5.649 6.316 1.00 0.00 O ATOM 0 H SER A1014 5.881 -2.990 3.531 1.00 0.00 H new ATOM 0 HA SER A1014 6.432 -5.792 3.627 1.00 0.00 H new ATOM 0 HB2 SER A1014 7.284 -4.167 5.293 1.00 0.00 H new ATOM 0 HB3 SER A1014 5.646 -3.772 5.775 1.00 0.00 H new ATOM 0 HG SER A1014 5.574 -6.280 6.092 1.00 0.00 H new ATOM 848 N THR A1015 3.381 -4.961 3.587 1.00 0.00 N ATOM 849 CA THR A1015 1.996 -5.405 3.699 1.00 0.00 C ATOM 850 C THR A1015 1.550 -6.145 2.443 1.00 0.00 C ATOM 851 O THR A1015 1.772 -5.683 1.324 1.00 0.00 O ATOM 852 CB THR A1015 1.047 -4.220 3.950 1.00 0.00 C ATOM 853 OG1 THR A1015 1.146 -3.275 2.876 1.00 0.00 O ATOM 854 CG2 THR A1015 1.377 -3.534 5.267 1.00 0.00 C ATOM 0 H THR A1015 3.510 -4.113 3.035 1.00 0.00 H new ATOM 0 HA THR A1015 1.950 -6.085 4.550 1.00 0.00 H new ATOM 0 HB THR A1015 0.028 -4.604 4.002 1.00 0.00 H new ATOM 0 HG1 THR A1015 0.346 -2.709 2.863 1.00 0.00 H new ATOM 0 HG21 THR A1015 0.694 -2.699 5.424 1.00 0.00 H new ATOM 0 HG22 THR A1015 1.273 -4.247 6.085 1.00 0.00 H new ATOM 0 HG23 THR A1015 2.402 -3.163 5.237 1.00 0.00 H new ATOM 862 N LYS A1016 0.916 -7.298 2.642 1.00 0.00 N ATOM 863 CA LYS A1016 0.411 -8.099 1.533 1.00 0.00 C ATOM 864 C LYS A1016 -0.589 -7.303 0.694 1.00 0.00 C ATOM 865 O LYS A1016 -1.158 -6.319 1.169 1.00 0.00 O ATOM 866 CB LYS A1016 -0.239 -9.382 2.064 1.00 0.00 C ATOM 867 CG LYS A1016 -1.205 -9.154 3.220 1.00 0.00 C ATOM 868 CD LYS A1016 -2.552 -8.632 2.743 1.00 0.00 C ATOM 869 CE LYS A1016 -3.283 -9.661 1.896 1.00 0.00 C ATOM 870 NZ LYS A1016 -3.553 -10.914 2.654 1.00 0.00 N ATOM 0 H LYS A1016 0.740 -7.698 3.564 1.00 0.00 H new ATOM 0 HA LYS A1016 1.251 -8.367 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -0.773 -9.871 1.249 1.00 0.00 H new ATOM 0 HB3 LYS A1016 0.545 -10.067 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -1.350 -10.089 3.761 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -0.769 -8.443 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -3.166 -8.367 3.604 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -2.405 -7.721 2.163 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -4.225 -9.239 1.545 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -2.688 -9.892 1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -4.260 -11.482 2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -2.673 -11.460 2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -3.915 -10.677 3.600 1.00 0.00 H new ATOM 884 N PRO A1017 -0.813 -7.717 -0.568 1.00 0.00 N ATOM 885 CA PRO A1017 -1.737 -7.030 -1.477 1.00 0.00 C ATOM 886 C PRO A1017 -3.110 -6.809 -0.846 1.00 0.00 C ATOM 887 O PRO A1017 -3.836 -7.765 -0.573 1.00 0.00 O ATOM 888 CB PRO A1017 -1.846 -7.977 -2.683 1.00 0.00 C ATOM 889 CG PRO A1017 -1.201 -9.255 -2.254 1.00 0.00 C ATOM 890 CD PRO A1017 -0.190 -8.881 -1.212 1.00 0.00 C ATOM 0 HA PRO A1017 -1.377 -6.035 -1.740 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -2.888 -8.138 -2.961 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -1.344 -7.559 -3.556 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -1.939 -9.948 -1.850 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -0.725 -9.754 -3.098 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -0.017 -9.692 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A1017 0.775 -8.632 -1.654 1.00 0.00 H new ATOM 898 N PRO A1018 -3.475 -5.539 -0.592 1.00 0.00 N ATOM 899 CA PRO A1018 -4.730 -5.197 0.088 1.00 0.00 C ATOM 900 C PRO A1018 -5.957 -5.519 -0.756 1.00 0.00 C ATOM 901 O PRO A1018 -5.862 -5.680 -1.973 1.00 0.00 O ATOM 902 CB PRO A1018 -4.616 -3.687 0.313 1.00 0.00 C ATOM 903 CG PRO A1018 -3.668 -3.217 -0.733 1.00 0.00 C ATOM 904 CD PRO A1018 -2.691 -4.339 -0.938 1.00 0.00 C ATOM 0 HA PRO A1018 -4.861 -5.769 1.007 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -5.586 -3.198 0.216 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -4.244 -3.463 1.313 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -4.193 -2.982 -1.659 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -3.157 -2.307 -0.417 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -2.331 -4.376 -1.966 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -1.815 -4.232 -0.298 1.00 0.00 H new ATOM 912 N ILE A1019 -7.111 -5.617 -0.100 1.00 0.00 N ATOM 913 CA ILE A1019 -8.356 -5.946 -0.782 1.00 0.00 C ATOM 914 C ILE A1019 -9.454 -4.955 -0.410 1.00 0.00 C ATOM 915 O ILE A1019 -9.348 -4.242 0.587 1.00 0.00 O ATOM 916 CB ILE A1019 -8.839 -7.373 -0.437 1.00 0.00 C ATOM 917 CG1 ILE A1019 -7.674 -8.367 -0.465 1.00 0.00 C ATOM 918 CG2 ILE A1019 -9.929 -7.813 -1.405 1.00 0.00 C ATOM 919 CD1 ILE A1019 -6.811 -8.339 0.778 1.00 0.00 C ATOM 0 H ILE A1019 -7.208 -5.473 0.905 1.00 0.00 H new ATOM 0 HA ILE A1019 -8.152 -5.891 -1.851 1.00 0.00 H new ATOM 0 HB ILE A1019 -9.250 -7.356 0.572 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -8.072 -9.373 -0.596 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -7.050 -8.155 -1.333 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -10.258 -8.820 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -10.773 -7.127 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -9.536 -7.808 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -6.009 -9.071 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -6.382 -7.344 0.901 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -7.420 -8.582 1.649 1.00 0.00 H new ATOM 931 N CYS A1020 -10.511 -4.919 -1.213 1.00 0.00 N ATOM 932 CA CYS A1020 -11.629 -4.017 -0.964 1.00 0.00 C ATOM 933 C CYS A1020 -12.919 -4.802 -0.742 1.00 0.00 C ATOM 934 O CYS A1020 -13.676 -5.053 -1.680 1.00 0.00 O ATOM 935 CB CYS A1020 -11.804 -3.049 -2.136 1.00 0.00 C ATOM 936 SG CYS A1020 -10.326 -2.046 -2.503 1.00 0.00 S ATOM 0 H CYS A1020 -10.617 -5.504 -2.042 1.00 0.00 H new ATOM 0 HA CYS A1020 -11.409 -3.446 -0.062 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -12.073 -3.618 -3.026 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -12.638 -2.381 -1.920 1.00 0.00 H new ATOM 941 N GLN A1021 -13.159 -5.190 0.507 1.00 0.00 N ATOM 942 CA GLN A1021 -14.350 -5.959 0.854 1.00 0.00 C ATOM 943 C GLN A1021 -15.565 -5.049 0.991 1.00 0.00 C ATOM 944 O GLN A1021 -15.475 -3.956 1.548 1.00 0.00 O ATOM 945 CB GLN A1021 -14.124 -6.730 2.157 1.00 0.00 C ATOM 946 CG GLN A1021 -15.392 -7.344 2.731 1.00 0.00 C ATOM 947 CD GLN A1021 -15.129 -8.175 3.972 1.00 0.00 C ATOM 948 OE1 GLN A1021 -15.112 -7.657 5.088 1.00 0.00 O ATOM 949 NE2 GLN A1021 -14.931 -9.474 3.781 1.00 0.00 N ATOM 0 H GLN A1021 -12.545 -4.985 1.295 1.00 0.00 H new ATOM 0 HA GLN A1021 -14.541 -6.669 0.049 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -13.396 -7.521 1.979 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -13.689 -6.057 2.896 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -16.098 -6.550 2.973 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -15.864 -7.969 1.973 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -14.954 -9.860 2.837 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -14.756 -10.086 4.578 1.00 0.00 H new ATOM 958 N ARG A1022 -16.706 -5.518 0.495 1.00 0.00 N ATOM 959 CA ARG A1022 -17.961 -4.795 0.650 1.00 0.00 C ATOM 960 C ARG A1022 -18.801 -5.404 1.769 1.00 0.00 C ATOM 961 O ARG A1022 -19.709 -6.198 1.522 1.00 0.00 O ATOM 962 CB ARG A1022 -18.751 -4.792 -0.666 1.00 0.00 C ATOM 963 CG ARG A1022 -18.930 -6.170 -1.286 1.00 0.00 C ATOM 964 CD ARG A1022 -17.714 -6.585 -2.100 1.00 0.00 C ATOM 965 NE ARG A1022 -17.448 -5.656 -3.197 1.00 0.00 N ATOM 966 CZ ARG A1022 -16.484 -5.833 -4.096 1.00 0.00 C ATOM 967 NH1 ARG A1022 -15.697 -6.900 -4.029 1.00 0.00 N ATOM 968 NH2 ARG A1022 -16.306 -4.944 -5.063 1.00 0.00 N ATOM 0 H ARG A1022 -16.786 -6.396 -0.018 1.00 0.00 H new ATOM 0 HA ARG A1022 -17.726 -3.764 0.916 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -19.734 -4.356 -0.486 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -18.242 -4.147 -1.382 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -19.108 -6.903 -0.499 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -19.813 -6.169 -1.926 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -16.842 -6.636 -1.449 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -17.871 -7.586 -2.502 1.00 0.00 H new ATOM 0 HE ARG A1022 -18.035 -4.825 -3.277 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -15.831 -7.587 -3.287 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -14.958 -7.033 -4.720 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -16.909 -4.123 -5.118 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -15.566 -5.081 -5.752 1.00 0.00 H new ATOM 982 N ILE A1023 -18.479 -5.035 3.005 1.00 0.00 N ATOM 983 CA ILE A1023 -19.152 -5.586 4.171 1.00 0.00 C ATOM 984 C ILE A1023 -20.661 -5.355 4.104 1.00 0.00 C ATOM 985 O ILE A1023 -21.122 -4.400 3.480 1.00 0.00 O ATOM 986 CB ILE A1023 -18.595 -4.974 5.472 1.00 0.00 C ATOM 987 CG1 ILE A1023 -18.194 -3.509 5.261 1.00 0.00 C ATOM 988 CG2 ILE A1023 -17.412 -5.784 5.975 1.00 0.00 C ATOM 989 CD1 ILE A1023 -19.369 -2.571 5.081 1.00 0.00 C ATOM 0 H ILE A1023 -17.752 -4.353 3.223 1.00 0.00 H new ATOM 0 HA ILE A1023 -18.962 -6.659 4.173 1.00 0.00 H new ATOM 0 HB ILE A1023 -19.382 -5.003 6.226 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -17.604 -3.177 6.116 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -17.550 -3.441 4.384 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -17.031 -5.339 6.894 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -17.730 -6.808 6.172 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -16.626 -5.787 5.220 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -19.004 -1.554 4.937 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -19.947 -2.876 4.209 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -20.003 -2.607 5.967 1.00 0.00 H new ATOM 1001 N PRO A1024 -21.452 -6.235 4.746 1.00 0.00 N ATOM 1002 CA PRO A1024 -22.914 -6.118 4.755 1.00 0.00 C ATOM 1003 C PRO A1024 -23.395 -4.926 5.576 1.00 0.00 C ATOM 1004 O PRO A1024 -23.568 -3.837 4.990 1.00 0.00 O ATOM 1005 CB PRO A1024 -23.373 -7.431 5.395 1.00 0.00 C ATOM 1006 CG PRO A1024 -22.222 -7.867 6.234 1.00 0.00 C ATOM 1007 CD PRO A1024 -20.986 -7.408 5.510 1.00 0.00 C ATOM 1008 OXT PRO A1024 -23.595 -5.091 6.798 1.00 0.00 O ATOM 0 HA PRO A1024 -23.316 -5.954 3.755 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -24.269 -7.285 5.998 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -23.616 -8.177 4.638 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -22.277 -7.428 7.230 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -22.220 -8.949 6.362 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -20.188 -7.144 6.204 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -20.593 -8.185 4.854 1.00 0.00 H new