USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=18 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: A1007 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A1012 HIS : no HE2:sc= -1.35 K(o=-1.3,f=-2.6!) USER MOD Single : A 962 SER OG : rot 180:sc= 0 USER MOD Single : A 964 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 THR OG1 : rot -14:sc= 0.635 USER MOD Single : A 971 ASN : amide:sc= -0.534 K(o=-0.53,f=-1.4) USER MOD Single : A 973 MET CE :methyl 160:sc= -0.173 (180deg=-0.664) USER MOD Single : A 975 HIS : no HD1:sc= -8.04! C(o=-8!,f=-7.2!) USER MOD Single : A 978 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 981 GLN : amide:sc= -2.97! C(o=-3!,f=-6.8!) USER MOD Single : A 984 SER OG : rot -153:sc= 0.73 USER MOD Single : A 987 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 TYR OH : rot 130:sc= -0.0426 USER MOD Single : A 989 SER OG : rot 180:sc= 0 USER MOD Single : A 991 THR OG1 : rot 180:sc= 0 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 994 HIS : no HD1:sc= -2.96 K(o=-3,f=-3.5!) USER MOD Single : A 999 HIS : no HD1:sc= -2.66! K(o=-2.7!,f=-0.85) USER MOD Single : A1000 SER OG : rot -39:sc= 1.08 USER MOD Single : A1001 SER OG : rot 52:sc= 0.126 USER MOD Single : A1009 ASN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A1010 THR OG1 : rot 180:sc= -0.0775 USER MOD Single : A1014 SER OG : rot 64:sc= 0.175 USER MOD Single : A1015 THR OG1 : rot -154:sc= 0.534 USER MOD Single : A1016 LYS NZ :NH3+ -165:sc= -0.0409 (180deg=-0.266) USER MOD Single : A1021 GLN : amide:sc= -1.18 K(o=-1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 962 12.638 5.571 -3.774 1.00 0.00 N ATOM 76 CA SER A 962 11.402 5.619 -4.551 1.00 0.00 C ATOM 77 C SER A 962 10.780 4.232 -4.674 1.00 0.00 C ATOM 78 O SER A 962 11.187 3.429 -5.513 1.00 0.00 O ATOM 79 CB SER A 962 11.665 6.201 -5.943 1.00 0.00 C ATOM 80 OG SER A 962 10.471 6.274 -6.701 1.00 0.00 O ATOM 0 HA SER A 962 10.700 6.266 -4.025 1.00 0.00 H new ATOM 0 HB2 SER A 962 12.100 7.196 -5.848 1.00 0.00 H new ATOM 0 HB3 SER A 962 12.394 5.583 -6.467 1.00 0.00 H new ATOM 0 HG SER A 962 10.667 6.650 -7.584 1.00 0.00 H new ATOM 86 N CYS A 963 9.793 3.957 -3.826 1.00 0.00 N ATOM 87 CA CYS A 963 9.136 2.655 -3.810 1.00 0.00 C ATOM 88 C CYS A 963 7.980 2.617 -4.806 1.00 0.00 C ATOM 89 O CYS A 963 7.418 3.655 -5.160 1.00 0.00 O ATOM 90 CB CYS A 963 8.624 2.340 -2.403 1.00 0.00 C ATOM 91 SG CYS A 963 9.879 2.528 -1.096 1.00 0.00 S ATOM 0 H CYS A 963 9.431 4.620 -3.140 1.00 0.00 H new ATOM 0 HA CYS A 963 9.867 1.901 -4.102 1.00 0.00 H new ATOM 0 HB2 CYS A 963 7.781 2.994 -2.180 1.00 0.00 H new ATOM 0 HB3 CYS A 963 8.247 1.317 -2.386 1.00 0.00 H new ATOM 96 N LYS A 964 7.632 1.415 -5.255 1.00 0.00 N ATOM 97 CA LYS A 964 6.559 1.240 -6.229 1.00 0.00 C ATOM 98 C LYS A 964 6.140 -0.225 -6.310 1.00 0.00 C ATOM 99 O LYS A 964 6.897 -1.070 -6.786 1.00 0.00 O ATOM 100 CB LYS A 964 7.007 1.732 -7.607 1.00 0.00 C ATOM 101 CG LYS A 964 5.929 1.626 -8.676 1.00 0.00 C ATOM 102 CD LYS A 964 4.752 2.543 -8.381 1.00 0.00 C ATOM 103 CE LYS A 964 5.150 4.009 -8.450 1.00 0.00 C ATOM 104 NZ LYS A 964 4.001 4.913 -8.165 1.00 0.00 N ATOM 0 H LYS A 964 8.078 0.546 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 964 5.702 1.830 -5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 964 7.325 2.772 -7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 964 7.877 1.157 -7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 964 6.354 1.880 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 964 5.580 0.595 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 964 3.952 2.349 -9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 964 4.356 2.320 -7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 964 5.949 4.202 -7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 964 5.549 4.230 -9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 4.315 5.903 -8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 3.248 4.748 -8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 3.636 4.720 -7.210 1.00 0.00 H new ATOM 118 N THR A 965 4.939 -0.522 -5.819 1.00 0.00 N ATOM 119 CA THR A 965 4.488 -1.905 -5.699 1.00 0.00 C ATOM 120 C THR A 965 2.963 -2.003 -5.579 1.00 0.00 C ATOM 121 O THR A 965 2.325 -2.719 -6.350 1.00 0.00 O ATOM 122 CB THR A 965 5.141 -2.606 -4.489 1.00 0.00 C ATOM 123 OG1 THR A 965 6.566 -2.618 -4.639 1.00 0.00 O ATOM 124 CG2 THR A 965 4.632 -4.033 -4.346 1.00 0.00 C ATOM 0 H THR A 965 4.264 0.173 -5.499 1.00 0.00 H new ATOM 0 HA THR A 965 4.797 -2.409 -6.615 1.00 0.00 H new ATOM 0 HB THR A 965 4.873 -2.050 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 965 6.800 -2.391 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 965 5.108 -4.505 -3.486 1.00 0.00 H new ATOM 0 HG22 THR A 965 3.552 -4.021 -4.202 1.00 0.00 H new ATOM 0 HG23 THR A 965 4.872 -4.597 -5.248 1.00 0.00 H new ATOM 132 N PRO A 966 2.362 -1.319 -4.586 1.00 0.00 N ATOM 133 CA PRO A 966 0.947 -1.508 -4.240 1.00 0.00 C ATOM 134 C PRO A 966 0.011 -1.165 -5.397 1.00 0.00 C ATOM 135 O PRO A 966 0.017 -0.041 -5.897 1.00 0.00 O ATOM 136 CB PRO A 966 0.724 -0.539 -3.072 1.00 0.00 C ATOM 137 CG PRO A 966 2.084 -0.265 -2.531 1.00 0.00 C ATOM 138 CD PRO A 966 3.011 -0.333 -3.709 1.00 0.00 C ATOM 0 HA PRO A 966 0.731 -2.548 -3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 966 0.241 0.379 -3.408 1.00 0.00 H new ATOM 0 HB3 PRO A 966 0.079 -0.979 -2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 966 2.126 0.715 -2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 966 2.359 -0.999 -1.773 1.00 0.00 H new ATOM 0 HD2 PRO A 966 3.114 0.636 -4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 966 4.012 -0.650 -3.417 1.00 0.00 H new ATOM 146 N PRO A 967 -0.827 -2.130 -5.822 1.00 0.00 N ATOM 147 CA PRO A 967 -1.863 -1.889 -6.833 1.00 0.00 C ATOM 148 C PRO A 967 -2.881 -0.851 -6.372 1.00 0.00 C ATOM 149 O PRO A 967 -2.814 -0.363 -5.243 1.00 0.00 O ATOM 150 CB PRO A 967 -2.537 -3.257 -7.003 1.00 0.00 C ATOM 151 CG PRO A 967 -1.568 -4.242 -6.444 1.00 0.00 C ATOM 152 CD PRO A 967 -0.840 -3.523 -5.346 1.00 0.00 C ATOM 0 HA PRO A 967 -1.442 -1.495 -7.758 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -3.488 -3.296 -6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -2.748 -3.464 -8.052 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -2.083 -5.122 -6.060 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -0.875 -4.587 -7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -1.354 -3.619 -4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 967 0.168 -3.912 -5.207 1.00 0.00 H new ATOM 160 N ASP A 968 -3.821 -0.517 -7.250 1.00 0.00 N ATOM 161 CA ASP A 968 -4.842 0.476 -6.933 1.00 0.00 C ATOM 162 C ASP A 968 -6.201 -0.185 -6.703 1.00 0.00 C ATOM 163 O ASP A 968 -6.903 -0.524 -7.656 1.00 0.00 O ATOM 164 CB ASP A 968 -4.940 1.516 -8.053 1.00 0.00 C ATOM 165 CG ASP A 968 -5.162 0.889 -9.416 1.00 0.00 C ATOM 166 OD1 ASP A 968 -4.164 0.516 -10.068 1.00 0.00 O ATOM 167 OD2 ASP A 968 -6.333 0.773 -9.834 1.00 0.00 O ATOM 0 H ASP A 968 -3.897 -0.918 -8.185 1.00 0.00 H new ATOM 0 HA ASP A 968 -4.549 0.978 -6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -5.759 2.202 -7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -4.025 2.108 -8.075 1.00 0.00 H new ATOM 172 N PRO A 969 -6.592 -0.368 -5.428 1.00 0.00 N ATOM 173 CA PRO A 969 -7.899 -0.933 -5.074 1.00 0.00 C ATOM 174 C PRO A 969 -9.049 -0.221 -5.779 1.00 0.00 C ATOM 175 O PRO A 969 -8.999 0.988 -6.006 1.00 0.00 O ATOM 176 CB PRO A 969 -7.984 -0.713 -3.562 1.00 0.00 C ATOM 177 CG PRO A 969 -6.567 -0.664 -3.108 1.00 0.00 C ATOM 178 CD PRO A 969 -5.793 -0.035 -4.233 1.00 0.00 C ATOM 0 HA PRO A 969 -7.984 -1.978 -5.373 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -8.508 0.213 -3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -8.529 -1.521 -3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -6.470 -0.079 -2.193 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -6.193 -1.664 -2.888 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -5.698 1.043 -4.101 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -4.783 -0.439 -4.300 1.00 0.00 H new ATOM 186 N VAL A 970 -10.081 -0.983 -6.130 1.00 0.00 N ATOM 187 CA VAL A 970 -11.227 -0.438 -6.847 1.00 0.00 C ATOM 188 C VAL A 970 -12.029 0.515 -5.965 1.00 0.00 C ATOM 189 O VAL A 970 -12.206 0.269 -4.772 1.00 0.00 O ATOM 190 CB VAL A 970 -12.155 -1.560 -7.357 1.00 0.00 C ATOM 191 CG1 VAL A 970 -12.672 -2.398 -6.198 1.00 0.00 C ATOM 192 CG2 VAL A 970 -13.308 -0.980 -8.161 1.00 0.00 C ATOM 0 H VAL A 970 -10.146 -1.981 -5.929 1.00 0.00 H new ATOM 0 HA VAL A 970 -10.833 0.113 -7.701 1.00 0.00 H new ATOM 0 HB VAL A 970 -11.576 -2.210 -8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -13.324 -3.183 -6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -11.831 -2.849 -5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -13.232 -1.763 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -13.950 -1.788 -8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -13.886 -0.304 -7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -12.915 -0.432 -9.017 1.00 0.00 H new ATOM 202 N ASN A 971 -12.512 1.601 -6.564 1.00 0.00 N ATOM 203 CA ASN A 971 -13.325 2.578 -5.848 1.00 0.00 C ATOM 204 C ASN A 971 -12.580 3.130 -4.636 1.00 0.00 C ATOM 205 O ASN A 971 -13.054 3.028 -3.506 1.00 0.00 O ATOM 206 CB ASN A 971 -14.649 1.949 -5.408 1.00 0.00 C ATOM 207 CG ASN A 971 -15.515 1.542 -6.584 1.00 0.00 C ATOM 208 OD1 ASN A 971 -15.461 2.154 -7.652 1.00 0.00 O ATOM 209 ND2 ASN A 971 -16.322 0.505 -6.394 1.00 0.00 N ATOM 0 H ASN A 971 -12.353 1.826 -7.546 1.00 0.00 H new ATOM 0 HA ASN A 971 -13.532 3.405 -6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -14.445 1.074 -4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -15.196 2.658 -4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -16.929 0.186 -7.149 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -16.335 0.027 -5.493 1.00 0.00 H new ATOM 216 N GLY A 972 -11.416 3.724 -4.878 1.00 0.00 N ATOM 217 CA GLY A 972 -10.656 4.330 -3.801 1.00 0.00 C ATOM 218 C GLY A 972 -9.215 4.606 -4.183 1.00 0.00 C ATOM 219 O GLY A 972 -8.654 3.929 -5.045 1.00 0.00 O ATOM 0 H GLY A 972 -10.986 3.796 -5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -11.134 5.264 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -10.677 3.672 -2.932 1.00 0.00 H new ATOM 223 N MET A 973 -8.614 5.598 -3.532 1.00 0.00 N ATOM 224 CA MET A 973 -7.213 5.929 -3.767 1.00 0.00 C ATOM 225 C MET A 973 -6.299 5.037 -2.934 1.00 0.00 C ATOM 226 O MET A 973 -6.726 4.456 -1.936 1.00 0.00 O ATOM 227 CB MET A 973 -6.952 7.399 -3.434 1.00 0.00 C ATOM 228 CG MET A 973 -7.281 7.765 -1.996 1.00 0.00 C ATOM 229 SD MET A 973 -6.964 9.501 -1.629 1.00 0.00 S ATOM 230 CE MET A 973 -8.099 10.301 -2.761 1.00 0.00 C ATOM 0 H MET A 973 -9.076 6.186 -2.838 1.00 0.00 H new ATOM 0 HA MET A 973 -6.996 5.759 -4.822 1.00 0.00 H new ATOM 0 HB2 MET A 973 -5.904 7.626 -3.627 1.00 0.00 H new ATOM 0 HB3 MET A 973 -7.542 8.025 -4.103 1.00 0.00 H new ATOM 0 HG2 MET A 973 -8.330 7.542 -1.800 1.00 0.00 H new ATOM 0 HG3 MET A 973 -6.692 7.142 -1.323 1.00 0.00 H new ATOM 0 HE1 MET A 973 -8.289 11.321 -2.426 1.00 0.00 H new ATOM 0 HE2 MET A 973 -7.662 10.322 -3.760 1.00 0.00 H new ATOM 0 HE3 MET A 973 -9.038 9.747 -2.787 1.00 0.00 H new ATOM 240 N VAL A 974 -5.043 4.926 -3.353 1.00 0.00 N ATOM 241 CA VAL A 974 -4.087 4.059 -2.675 1.00 0.00 C ATOM 242 C VAL A 974 -2.712 4.713 -2.577 1.00 0.00 C ATOM 243 O VAL A 974 -2.307 5.458 -3.468 1.00 0.00 O ATOM 244 CB VAL A 974 -3.953 2.705 -3.400 1.00 0.00 C ATOM 245 CG1 VAL A 974 -3.536 2.914 -4.848 1.00 0.00 C ATOM 246 CG2 VAL A 974 -2.966 1.802 -2.675 1.00 0.00 C ATOM 0 H VAL A 974 -4.664 5.425 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 974 -4.471 3.891 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 974 -4.926 2.214 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -3.446 1.948 -5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -4.287 3.516 -5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -2.575 3.428 -4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -2.886 0.852 -3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -1.988 2.283 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -3.315 1.624 -1.658 1.00 0.00 H new ATOM 256 N HIS A 975 -2.006 4.412 -1.484 1.00 0.00 N ATOM 257 CA HIS A 975 -0.642 4.897 -1.253 1.00 0.00 C ATOM 258 C HIS A 975 -0.466 6.357 -1.673 1.00 0.00 C ATOM 259 O HIS A 975 -1.440 7.096 -1.820 1.00 0.00 O ATOM 260 CB HIS A 975 0.385 4.003 -1.964 1.00 0.00 C ATOM 261 CG HIS A 975 0.219 3.918 -3.451 1.00 0.00 C ATOM 262 ND1 HIS A 975 -0.120 2.753 -4.106 1.00 0.00 N ATOM 263 CD2 HIS A 975 0.364 4.857 -4.415 1.00 0.00 C ATOM 264 CE1 HIS A 975 -0.173 2.979 -5.406 1.00 0.00 C ATOM 265 NE2 HIS A 975 0.116 4.248 -5.620 1.00 0.00 N ATOM 0 H HIS A 975 -2.365 3.824 -0.732 1.00 0.00 H new ATOM 0 HA HIS A 975 -0.466 4.847 -0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 975 1.385 4.377 -1.745 1.00 0.00 H new ATOM 0 HB3 HIS A 975 0.322 2.998 -1.547 1.00 0.00 H new ATOM 0 HD2 HIS A 975 0.626 5.894 -4.264 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -0.412 2.249 -6.165 1.00 0.00 H new ATOM 0 HE2 HIS A 975 0.150 4.703 -6.532 1.00 0.00 H new ATOM 274 N VAL A 976 0.792 6.774 -1.812 1.00 0.00 N ATOM 275 CA VAL A 976 1.127 8.184 -1.984 1.00 0.00 C ATOM 276 C VAL A 976 0.343 9.062 -1.009 1.00 0.00 C ATOM 277 O VAL A 976 -0.708 9.606 -1.348 1.00 0.00 O ATOM 278 CB VAL A 976 0.867 8.652 -3.430 1.00 0.00 C ATOM 279 CG1 VAL A 976 1.026 10.162 -3.553 1.00 0.00 C ATOM 280 CG2 VAL A 976 1.800 7.939 -4.396 1.00 0.00 C ATOM 0 H VAL A 976 1.599 6.150 -1.809 1.00 0.00 H new ATOM 0 HA VAL A 976 2.191 8.287 -1.771 1.00 0.00 H new ATOM 0 HB VAL A 976 -0.161 8.398 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 976 0.837 10.465 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 976 0.315 10.658 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 976 2.040 10.445 -3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 976 1.603 8.281 -5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 976 2.834 8.160 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 976 1.633 6.864 -4.337 1.00 0.00 H new ATOM 290 N ILE A 977 0.877 9.209 0.198 1.00 0.00 N ATOM 291 CA ILE A 977 0.333 10.152 1.166 1.00 0.00 C ATOM 292 C ILE A 977 1.092 11.473 1.117 1.00 0.00 C ATOM 293 O ILE A 977 0.495 12.549 1.163 1.00 0.00 O ATOM 294 CB ILE A 977 0.393 9.587 2.600 1.00 0.00 C ATOM 295 CG1 ILE A 977 -0.274 8.209 2.662 1.00 0.00 C ATOM 296 CG2 ILE A 977 -0.267 10.547 3.580 1.00 0.00 C ATOM 297 CD1 ILE A 977 -1.721 8.210 2.216 1.00 0.00 C ATOM 0 H ILE A 977 1.688 8.686 0.529 1.00 0.00 H new ATOM 0 HA ILE A 977 -0.710 10.320 0.899 1.00 0.00 H new ATOM 0 HB ILE A 977 1.440 9.475 2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 977 0.288 7.515 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -0.219 7.835 3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -0.215 10.132 4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 977 0.252 11.505 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -1.311 10.692 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -2.125 7.200 2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -2.298 8.878 2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -1.783 8.553 1.183 1.00 0.00 H new ATOM 309 N THR A 978 2.414 11.379 1.007 1.00 0.00 N ATOM 310 CA THR A 978 3.260 12.556 0.857 1.00 0.00 C ATOM 311 C THR A 978 4.575 12.191 0.173 1.00 0.00 C ATOM 312 O THR A 978 5.036 12.893 -0.726 1.00 0.00 O ATOM 313 CB THR A 978 3.564 13.212 2.218 1.00 0.00 C ATOM 314 OG1 THR A 978 2.341 13.514 2.900 1.00 0.00 O ATOM 315 CG2 THR A 978 4.375 14.486 2.037 1.00 0.00 C ATOM 0 H THR A 978 2.923 10.495 1.019 1.00 0.00 H new ATOM 0 HA THR A 978 2.712 13.268 0.240 1.00 0.00 H new ATOM 0 HB THR A 978 4.148 12.509 2.812 1.00 0.00 H new ATOM 0 HG1 THR A 978 2.542 13.929 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 978 4.577 14.930 3.012 1.00 0.00 H new ATOM 0 HG22 THR A 978 5.318 14.250 1.544 1.00 0.00 H new ATOM 0 HG23 THR A 978 3.812 15.192 1.426 1.00 0.00 H new ATOM 323 N ASP A 979 5.162 11.076 0.601 1.00 0.00 N ATOM 324 CA ASP A 979 6.381 10.562 -0.007 1.00 0.00 C ATOM 325 C ASP A 979 6.466 9.052 0.178 1.00 0.00 C ATOM 326 O ASP A 979 6.419 8.552 1.301 1.00 0.00 O ATOM 327 CB ASP A 979 7.614 11.229 0.605 1.00 0.00 C ATOM 328 CG ASP A 979 7.700 12.707 0.281 1.00 0.00 C ATOM 329 OD1 ASP A 979 8.288 13.053 -0.766 1.00 0.00 O ATOM 330 OD2 ASP A 979 7.182 13.519 1.075 1.00 0.00 O ATOM 0 H ASP A 979 4.808 10.510 1.372 1.00 0.00 H new ATOM 0 HA ASP A 979 6.353 10.791 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 979 7.593 11.099 1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 979 8.511 10.728 0.241 1.00 0.00 H new ATOM 335 N ILE A 980 6.570 8.332 -0.931 1.00 0.00 N ATOM 336 CA ILE A 980 6.544 6.876 -0.897 1.00 0.00 C ATOM 337 C ILE A 980 7.936 6.295 -1.116 1.00 0.00 C ATOM 338 O ILE A 980 8.102 5.296 -1.815 1.00 0.00 O ATOM 339 CB ILE A 980 5.585 6.306 -1.959 1.00 0.00 C ATOM 340 CG1 ILE A 980 5.839 6.970 -3.313 1.00 0.00 C ATOM 341 CG2 ILE A 980 4.140 6.504 -1.525 1.00 0.00 C ATOM 342 CD1 ILE A 980 5.056 6.348 -4.450 1.00 0.00 C ATOM 0 H ILE A 980 6.673 8.732 -1.864 1.00 0.00 H new ATOM 0 HA ILE A 980 6.188 6.589 0.092 1.00 0.00 H new ATOM 0 HB ILE A 980 5.769 5.237 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 980 5.584 8.027 -3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 980 6.903 6.913 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 980 3.473 6.097 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 980 3.970 5.989 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 980 3.940 7.568 -1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 980 5.286 6.870 -5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 980 5.328 5.297 -4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 980 3.989 6.429 -4.244 1.00 0.00 H new ATOM 354 N GLN A 981 8.933 6.917 -0.495 1.00 0.00 N ATOM 355 CA GLN A 981 10.295 6.395 -0.526 1.00 0.00 C ATOM 356 C GLN A 981 10.534 5.444 0.643 1.00 0.00 C ATOM 357 O GLN A 981 9.613 5.131 1.397 1.00 0.00 O ATOM 358 CB GLN A 981 11.312 7.537 -0.489 1.00 0.00 C ATOM 359 CG GLN A 981 11.393 8.329 -1.786 1.00 0.00 C ATOM 360 CD GLN A 981 10.116 9.087 -2.092 1.00 0.00 C ATOM 361 OE1 GLN A 981 9.394 9.504 -1.187 1.00 0.00 O ATOM 362 NE2 GLN A 981 9.831 9.272 -3.377 1.00 0.00 N ATOM 0 H GLN A 981 8.824 7.782 0.035 1.00 0.00 H new ATOM 0 HA GLN A 981 10.424 5.843 -1.457 1.00 0.00 H new ATOM 0 HB2 GLN A 981 11.054 8.215 0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 981 12.296 7.127 -0.262 1.00 0.00 H new ATOM 0 HG2 GLN A 981 12.223 9.033 -1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 981 11.612 7.649 -2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 981 10.457 8.909 -4.096 1.00 0.00 H new ATOM 0 HE22 GLN A 981 8.986 9.777 -3.644 1.00 0.00 H new ATOM 371 N VAL A 982 11.773 4.983 0.784 1.00 0.00 N ATOM 372 CA VAL A 982 12.123 4.050 1.847 1.00 0.00 C ATOM 373 C VAL A 982 11.912 4.680 3.221 1.00 0.00 C ATOM 374 O VAL A 982 12.218 5.854 3.431 1.00 0.00 O ATOM 375 CB VAL A 982 13.586 3.581 1.723 1.00 0.00 C ATOM 376 CG1 VAL A 982 14.534 4.770 1.740 1.00 0.00 C ATOM 377 CG2 VAL A 982 13.931 2.596 2.831 1.00 0.00 C ATOM 0 H VAL A 982 12.550 5.241 0.176 1.00 0.00 H new ATOM 0 HA VAL A 982 11.465 3.187 1.743 1.00 0.00 H new ATOM 0 HB VAL A 982 13.702 3.069 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 982 15.562 4.417 1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 982 14.304 5.431 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 982 14.417 5.315 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 982 14.968 2.278 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 982 13.796 3.077 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 982 13.276 1.727 2.763 1.00 0.00 H new ATOM 387 N GLY A 983 11.389 3.890 4.155 1.00 0.00 N ATOM 388 CA GLY A 983 11.172 4.379 5.504 1.00 0.00 C ATOM 389 C GLY A 983 9.843 5.093 5.658 1.00 0.00 C ATOM 390 O GLY A 983 9.552 5.654 6.714 1.00 0.00 O ATOM 0 H GLY A 983 11.112 2.920 4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 983 11.214 3.542 6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 983 11.979 5.059 5.774 1.00 0.00 H new ATOM 394 N SER A 984 9.035 5.072 4.602 1.00 0.00 N ATOM 395 CA SER A 984 7.730 5.721 4.624 1.00 0.00 C ATOM 396 C SER A 984 6.639 4.738 5.039 1.00 0.00 C ATOM 397 O SER A 984 6.878 3.533 5.127 1.00 0.00 O ATOM 398 CB SER A 984 7.405 6.310 3.250 1.00 0.00 C ATOM 399 OG SER A 984 8.377 7.266 2.862 1.00 0.00 O ATOM 0 H SER A 984 9.262 4.612 3.720 1.00 0.00 H new ATOM 0 HA SER A 984 7.767 6.527 5.357 1.00 0.00 H new ATOM 0 HB2 SER A 984 7.360 5.511 2.510 1.00 0.00 H new ATOM 0 HB3 SER A 984 6.420 6.777 3.275 1.00 0.00 H new ATOM 0 HG SER A 984 7.970 7.918 2.255 1.00 0.00 H new ATOM 405 N ARG A 985 5.445 5.260 5.292 1.00 0.00 N ATOM 406 CA ARG A 985 4.320 4.431 5.711 1.00 0.00 C ATOM 407 C ARG A 985 3.003 4.992 5.184 1.00 0.00 C ATOM 408 O ARG A 985 2.417 5.893 5.785 1.00 0.00 O ATOM 409 CB ARG A 985 4.273 4.335 7.237 1.00 0.00 C ATOM 410 CG ARG A 985 3.155 3.446 7.759 1.00 0.00 C ATOM 411 CD ARG A 985 3.123 3.423 9.278 1.00 0.00 C ATOM 412 NE ARG A 985 2.060 2.562 9.791 1.00 0.00 N ATOM 413 CZ ARG A 985 1.705 2.508 11.072 1.00 0.00 C ATOM 414 NH1 ARG A 985 2.325 3.265 11.968 1.00 0.00 N ATOM 415 NH2 ARG A 985 0.729 1.698 11.457 1.00 0.00 N ATOM 0 H ARG A 985 5.230 6.254 5.214 1.00 0.00 H new ATOM 0 HA ARG A 985 4.460 3.434 5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 985 5.228 3.953 7.598 1.00 0.00 H new ATOM 0 HB3 ARG A 985 4.153 5.336 7.652 1.00 0.00 H new ATOM 0 HG2 ARG A 985 2.198 3.803 7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 985 3.289 2.432 7.382 1.00 0.00 H new ATOM 0 HD2 ARG A 985 4.085 3.075 9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 985 2.981 4.437 9.653 1.00 0.00 H new ATOM 0 HE ARG A 985 1.561 1.968 9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 985 3.076 3.890 11.675 1.00 0.00 H new ATOM 0 HH12 ARG A 985 2.051 3.222 12.950 1.00 0.00 H new ATOM 0 HH21 ARG A 985 0.249 1.115 10.771 1.00 0.00 H new ATOM 0 HH22 ARG A 985 0.458 1.657 12.439 1.00 0.00 H new ATOM 429 N ILE A 986 2.539 4.451 4.062 1.00 0.00 N ATOM 430 CA ILE A 986 1.270 4.869 3.479 1.00 0.00 C ATOM 431 C ILE A 986 0.117 4.032 4.019 1.00 0.00 C ATOM 432 O ILE A 986 0.274 3.298 4.995 1.00 0.00 O ATOM 433 CB ILE A 986 1.295 4.772 1.940 1.00 0.00 C ATOM 434 CG1 ILE A 986 1.573 3.336 1.493 1.00 0.00 C ATOM 435 CG2 ILE A 986 2.338 5.720 1.369 1.00 0.00 C ATOM 436 CD1 ILE A 986 0.323 2.521 1.240 1.00 0.00 C ATOM 0 H ILE A 986 3.023 3.722 3.539 1.00 0.00 H new ATOM 0 HA ILE A 986 1.119 5.911 3.761 1.00 0.00 H new ATOM 0 HB ILE A 986 0.316 5.063 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 986 2.171 3.359 0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 986 2.172 2.838 2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 986 2.345 5.641 0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 986 2.096 6.743 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 986 3.321 5.456 1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 986 0.602 1.515 0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -0.267 2.466 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -0.268 2.995 0.456 1.00 0.00 H new ATOM 448 N THR A 987 -1.043 4.167 3.390 1.00 0.00 N ATOM 449 CA THR A 987 -2.264 3.540 3.887 1.00 0.00 C ATOM 450 C THR A 987 -3.225 3.220 2.747 1.00 0.00 C ATOM 451 O THR A 987 -3.234 3.900 1.720 1.00 0.00 O ATOM 452 CB THR A 987 -2.987 4.440 4.909 1.00 0.00 C ATOM 453 OG1 THR A 987 -3.175 5.750 4.359 1.00 0.00 O ATOM 454 CG2 THR A 987 -2.198 4.537 6.206 1.00 0.00 C ATOM 0 H THR A 987 -1.166 4.706 2.533 1.00 0.00 H new ATOM 0 HA THR A 987 -1.961 2.614 4.377 1.00 0.00 H new ATOM 0 HB THR A 987 -3.957 3.994 5.129 1.00 0.00 H new ATOM 0 HG1 THR A 987 -3.636 6.316 5.013 1.00 0.00 H new ATOM 0 HG21 THR A 987 -2.731 5.178 6.909 1.00 0.00 H new ATOM 0 HG22 THR A 987 -2.083 3.542 6.637 1.00 0.00 H new ATOM 0 HG23 THR A 987 -1.214 4.960 6.003 1.00 0.00 H new ATOM 462 N TYR A 988 -4.044 2.191 2.942 1.00 0.00 N ATOM 463 CA TYR A 988 -5.071 1.834 1.970 1.00 0.00 C ATOM 464 C TYR A 988 -6.441 2.319 2.432 1.00 0.00 C ATOM 465 O TYR A 988 -6.944 1.893 3.471 1.00 0.00 O ATOM 466 CB TYR A 988 -5.097 0.319 1.758 1.00 0.00 C ATOM 467 CG TYR A 988 -3.774 -0.251 1.300 1.00 0.00 C ATOM 468 CD1 TYR A 988 -2.800 -0.625 2.218 1.00 0.00 C ATOM 469 CD2 TYR A 988 -3.498 -0.417 -0.052 1.00 0.00 C ATOM 470 CE1 TYR A 988 -1.590 -1.145 1.802 1.00 0.00 C ATOM 471 CE2 TYR A 988 -2.291 -0.938 -0.475 1.00 0.00 C ATOM 472 CZ TYR A 988 -1.340 -1.300 0.455 1.00 0.00 C ATOM 473 OH TYR A 988 -0.136 -1.818 0.037 1.00 0.00 O ATOM 0 H TYR A 988 -4.016 1.589 3.765 1.00 0.00 H new ATOM 0 HA TYR A 988 -4.831 2.320 1.025 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -5.388 -0.165 2.690 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -5.862 0.077 1.020 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -2.992 -0.507 3.274 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -4.240 -0.134 -0.784 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -0.843 -1.429 2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -2.093 -1.061 -1.530 1.00 0.00 H new ATOM 0 HH TYR A 988 -0.296 -2.543 -0.602 1.00 0.00 H new ATOM 483 N SER A 989 -7.031 3.229 1.662 1.00 0.00 N ATOM 484 CA SER A 989 -8.289 3.858 2.048 1.00 0.00 C ATOM 485 C SER A 989 -9.484 3.069 1.521 1.00 0.00 C ATOM 486 O SER A 989 -10.224 2.460 2.295 1.00 0.00 O ATOM 487 CB SER A 989 -8.345 5.295 1.527 1.00 0.00 C ATOM 488 OG SER A 989 -7.288 6.074 2.062 1.00 0.00 O ATOM 0 H SER A 989 -6.658 3.547 0.768 1.00 0.00 H new ATOM 0 HA SER A 989 -8.338 3.868 3.137 1.00 0.00 H new ATOM 0 HB2 SER A 989 -8.284 5.293 0.439 1.00 0.00 H new ATOM 0 HB3 SER A 989 -9.302 5.744 1.792 1.00 0.00 H new ATOM 0 HG SER A 989 -7.345 6.988 1.712 1.00 0.00 H new ATOM 494 N CYS A 990 -9.677 3.103 0.205 1.00 0.00 N ATOM 495 CA CYS A 990 -10.842 2.484 -0.424 1.00 0.00 C ATOM 496 C CYS A 990 -12.133 3.147 0.050 1.00 0.00 C ATOM 497 O CYS A 990 -12.172 3.764 1.115 1.00 0.00 O ATOM 498 CB CYS A 990 -10.881 0.982 -0.123 1.00 0.00 C ATOM 499 SG CYS A 990 -12.083 0.051 -1.128 1.00 0.00 S ATOM 0 H CYS A 990 -9.039 3.555 -0.450 1.00 0.00 H new ATOM 0 HA CYS A 990 -10.757 2.625 -1.502 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -9.887 0.564 -0.285 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -11.118 0.840 0.931 1.00 0.00 H new ATOM 504 N THR A 991 -13.183 3.028 -0.754 1.00 0.00 N ATOM 505 CA THR A 991 -14.460 3.659 -0.444 1.00 0.00 C ATOM 506 C THR A 991 -15.053 3.102 0.847 1.00 0.00 C ATOM 507 O THR A 991 -14.948 1.908 1.125 1.00 0.00 O ATOM 508 CB THR A 991 -15.472 3.470 -1.589 1.00 0.00 C ATOM 509 OG1 THR A 991 -16.776 3.888 -1.168 1.00 0.00 O ATOM 510 CG2 THR A 991 -15.519 2.017 -2.038 1.00 0.00 C ATOM 0 H THR A 991 -13.175 2.500 -1.626 1.00 0.00 H new ATOM 0 HA THR A 991 -14.264 4.724 -0.317 1.00 0.00 H new ATOM 0 HB THR A 991 -15.150 4.083 -2.431 1.00 0.00 H new ATOM 0 HG1 THR A 991 -17.412 3.766 -1.903 1.00 0.00 H new ATOM 0 HG21 THR A 991 -16.241 1.909 -2.847 1.00 0.00 H new ATOM 0 HG22 THR A 991 -14.533 1.712 -2.389 1.00 0.00 H new ATOM 0 HG23 THR A 991 -15.817 1.387 -1.200 1.00 0.00 H new ATOM 518 N THR A 992 -15.662 3.983 1.637 1.00 0.00 N ATOM 519 CA THR A 992 -16.203 3.605 2.938 1.00 0.00 C ATOM 520 C THR A 992 -17.180 2.440 2.813 1.00 0.00 C ATOM 521 O THR A 992 -18.084 2.463 1.977 1.00 0.00 O ATOM 522 CB THR A 992 -16.918 4.790 3.615 1.00 0.00 C ATOM 523 OG1 THR A 992 -16.024 5.904 3.724 1.00 0.00 O ATOM 524 CG2 THR A 992 -17.420 4.404 4.999 1.00 0.00 C ATOM 0 H THR A 992 -15.793 4.966 1.397 1.00 0.00 H new ATOM 0 HA THR A 992 -15.357 3.300 3.554 1.00 0.00 H new ATOM 0 HB THR A 992 -17.774 5.067 2.999 1.00 0.00 H new ATOM 0 HG1 THR A 992 -16.486 6.654 4.154 1.00 0.00 H new ATOM 0 HG21 THR A 992 -17.921 5.258 5.456 1.00 0.00 H new ATOM 0 HG22 THR A 992 -18.122 3.575 4.913 1.00 0.00 H new ATOM 0 HG23 THR A 992 -16.577 4.103 5.621 1.00 0.00 H new ATOM 532 N GLY A 993 -16.987 1.424 3.647 1.00 0.00 N ATOM 533 CA GLY A 993 -17.828 0.242 3.588 1.00 0.00 C ATOM 534 C GLY A 993 -17.061 -0.989 3.150 1.00 0.00 C ATOM 535 O GLY A 993 -17.305 -2.090 3.644 1.00 0.00 O ATOM 0 H GLY A 993 -16.262 1.398 4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -18.268 0.063 4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -18.652 0.419 2.896 1.00 0.00 H new ATOM 539 N HIS A 994 -16.128 -0.802 2.222 1.00 0.00 N ATOM 540 CA HIS A 994 -15.313 -1.901 1.720 1.00 0.00 C ATOM 541 C HIS A 994 -14.215 -2.261 2.715 1.00 0.00 C ATOM 542 O HIS A 994 -13.219 -1.548 2.839 1.00 0.00 O ATOM 543 CB HIS A 994 -14.695 -1.529 0.371 1.00 0.00 C ATOM 544 CG HIS A 994 -15.707 -1.276 -0.703 1.00 0.00 C ATOM 545 ND1 HIS A 994 -16.966 -0.772 -0.449 1.00 0.00 N ATOM 546 CD2 HIS A 994 -15.643 -1.464 -2.043 1.00 0.00 C ATOM 547 CE1 HIS A 994 -17.633 -0.663 -1.585 1.00 0.00 C ATOM 548 NE2 HIS A 994 -16.853 -1.076 -2.566 1.00 0.00 N ATOM 0 H HIS A 994 -15.918 0.103 1.802 1.00 0.00 H new ATOM 0 HA HIS A 994 -15.958 -2.770 1.589 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -14.080 -0.638 0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -14.031 -2.332 0.051 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -14.799 -1.847 -2.597 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -18.644 -0.298 -1.692 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -17.107 -1.103 -3.553 1.00 0.00 H new ATOM 557 N ARG A 995 -14.405 -3.369 3.425 1.00 0.00 N ATOM 558 CA ARG A 995 -13.440 -3.814 4.424 1.00 0.00 C ATOM 559 C ARG A 995 -12.220 -4.443 3.758 1.00 0.00 C ATOM 560 O ARG A 995 -12.346 -5.369 2.956 1.00 0.00 O ATOM 561 CB ARG A 995 -14.088 -4.815 5.381 1.00 0.00 C ATOM 562 CG ARG A 995 -13.164 -5.280 6.495 1.00 0.00 C ATOM 563 CD ARG A 995 -13.869 -6.238 7.442 1.00 0.00 C ATOM 564 NE ARG A 995 -15.020 -5.617 8.092 1.00 0.00 N ATOM 565 CZ ARG A 995 -15.844 -6.266 8.910 1.00 0.00 C ATOM 566 NH1 ARG A 995 -15.646 -7.550 9.175 1.00 0.00 N ATOM 567 NH2 ARG A 995 -16.867 -5.629 9.464 1.00 0.00 N ATOM 0 H ARG A 995 -15.219 -3.975 3.327 1.00 0.00 H new ATOM 0 HA ARG A 995 -13.113 -2.942 4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -14.975 -4.361 5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -14.423 -5.683 4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -12.291 -5.770 6.064 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -12.802 -4.416 7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -14.196 -7.119 6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -13.166 -6.581 8.201 1.00 0.00 H new ATOM 0 HE ARG A 995 -15.202 -4.630 7.908 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -14.860 -8.043 8.751 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -16.280 -8.045 9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -17.022 -4.641 9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -17.499 -6.127 10.091 1.00 0.00 H new ATOM 581 N LEU A 996 -11.039 -3.934 4.097 1.00 0.00 N ATOM 582 CA LEU A 996 -9.795 -4.435 3.535 1.00 0.00 C ATOM 583 C LEU A 996 -9.445 -5.804 4.107 1.00 0.00 C ATOM 584 O LEU A 996 -9.507 -6.015 5.318 1.00 0.00 O ATOM 585 CB LEU A 996 -8.665 -3.450 3.823 1.00 0.00 C ATOM 586 CG LEU A 996 -8.704 -2.156 3.009 1.00 0.00 C ATOM 587 CD1 LEU A 996 -7.714 -1.147 3.569 1.00 0.00 C ATOM 588 CD2 LEU A 996 -8.407 -2.438 1.544 1.00 0.00 C ATOM 0 H LEU A 996 -10.921 -3.170 4.763 1.00 0.00 H new ATOM 0 HA LEU A 996 -9.925 -4.539 2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -8.689 -3.195 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -7.714 -3.949 3.637 1.00 0.00 H new ATOM 0 HG LEU A 996 -9.706 -1.733 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -7.754 -0.232 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -7.970 -0.922 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -6.707 -1.563 3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -8.439 -1.506 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -7.416 -2.883 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -9.153 -3.127 1.148 1.00 0.00 H new ATOM 600 N ILE A 997 -9.052 -6.724 3.231 1.00 0.00 N ATOM 601 CA ILE A 997 -8.536 -8.015 3.666 1.00 0.00 C ATOM 602 C ILE A 997 -7.009 -8.017 3.646 1.00 0.00 C ATOM 603 O ILE A 997 -6.387 -8.642 2.786 1.00 0.00 O ATOM 604 CB ILE A 997 -9.062 -9.168 2.783 1.00 0.00 C ATOM 605 CG1 ILE A 997 -10.591 -9.132 2.708 1.00 0.00 C ATOM 606 CG2 ILE A 997 -8.589 -10.510 3.324 1.00 0.00 C ATOM 607 CD1 ILE A 997 -11.130 -8.131 1.710 1.00 0.00 C ATOM 0 H ILE A 997 -9.081 -6.599 2.219 1.00 0.00 H new ATOM 0 HA ILE A 997 -8.888 -8.175 4.685 1.00 0.00 H new ATOM 0 HB ILE A 997 -8.664 -9.040 1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -10.956 -10.125 2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -10.988 -8.897 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -8.968 -11.312 2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -7.499 -10.536 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -8.960 -10.644 4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -12.219 -8.164 1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -10.796 -7.130 1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -10.763 -8.377 0.714 1.00 0.00 H new ATOM 619 N GLY A 998 -6.413 -7.300 4.594 1.00 0.00 N ATOM 620 CA GLY A 998 -4.967 -7.192 4.645 1.00 0.00 C ATOM 621 C GLY A 998 -4.479 -6.540 5.923 1.00 0.00 C ATOM 622 O GLY A 998 -4.544 -7.137 6.997 1.00 0.00 O ATOM 0 H GLY A 998 -6.906 -6.792 5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -4.528 -8.186 4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -4.619 -6.613 3.790 1.00 0.00 H new ATOM 626 N HIS A 999 -3.983 -5.313 5.804 1.00 0.00 N ATOM 627 CA HIS A 999 -3.434 -4.594 6.947 1.00 0.00 C ATOM 628 C HIS A 999 -3.805 -3.114 6.885 1.00 0.00 C ATOM 629 O HIS A 999 -3.660 -2.385 7.867 1.00 0.00 O ATOM 630 CB HIS A 999 -1.913 -4.759 6.986 1.00 0.00 C ATOM 631 CG HIS A 999 -1.264 -4.119 8.174 1.00 0.00 C ATOM 632 ND1 HIS A 999 -1.083 -4.770 9.377 1.00 0.00 N ATOM 633 CD2 HIS A 999 -0.747 -2.879 8.338 1.00 0.00 C ATOM 634 CE1 HIS A 999 -0.483 -3.956 10.228 1.00 0.00 C ATOM 635 NE2 HIS A 999 -0.268 -2.804 9.622 1.00 0.00 N ATOM 0 H HIS A 999 -3.950 -4.795 4.926 1.00 0.00 H new ATOM 0 HA HIS A 999 -3.861 -5.014 7.858 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -1.672 -5.822 6.982 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -1.488 -4.332 6.078 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -0.717 -2.094 7.596 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -0.214 -4.194 11.247 1.00 0.00 H new ATOM 0 HE2 HIS A 999 0.181 -1.989 10.040 1.00 0.00 H new ATOM 644 N SER A1000 -4.292 -2.682 5.723 1.00 0.00 N ATOM 645 CA SER A1000 -4.695 -1.292 5.524 1.00 0.00 C ATOM 646 C SER A1000 -3.504 -0.350 5.681 1.00 0.00 C ATOM 647 O SER A1000 -3.672 0.851 5.896 1.00 0.00 O ATOM 648 CB SER A1000 -5.801 -0.908 6.511 1.00 0.00 C ATOM 649 OG SER A1000 -6.237 0.423 6.300 1.00 0.00 O ATOM 0 H SER A1000 -4.417 -3.277 4.904 1.00 0.00 H new ATOM 0 HA SER A1000 -5.079 -1.196 4.508 1.00 0.00 H new ATOM 0 HB2 SER A1000 -6.643 -1.591 6.401 1.00 0.00 H new ATOM 0 HB3 SER A1000 -5.434 -1.016 7.532 1.00 0.00 H new ATOM 0 HG SER A1000 -5.466 0.991 6.092 1.00 0.00 H new ATOM 655 N SER A1001 -2.301 -0.906 5.567 1.00 0.00 N ATOM 656 CA SER A1001 -1.076 -0.123 5.694 1.00 0.00 C ATOM 657 C SER A1001 0.143 -0.961 5.323 1.00 0.00 C ATOM 658 O SER A1001 0.063 -2.187 5.244 1.00 0.00 O ATOM 659 CB SER A1001 -0.929 0.409 7.122 1.00 0.00 C ATOM 660 OG SER A1001 0.252 1.180 7.260 1.00 0.00 O ATOM 0 H SER A1001 -2.148 -1.898 5.386 1.00 0.00 H new ATOM 0 HA SER A1001 -1.140 0.720 5.006 1.00 0.00 H new ATOM 0 HB2 SER A1001 -1.796 1.018 7.378 1.00 0.00 H new ATOM 0 HB3 SER A1001 -0.907 -0.425 7.824 1.00 0.00 H new ATOM 0 HG SER A1001 0.277 1.868 6.563 1.00 0.00 H new ATOM 666 N ALA A1002 1.270 -0.293 5.096 1.00 0.00 N ATOM 667 CA ALA A1002 2.499 -0.980 4.714 1.00 0.00 C ATOM 668 C ALA A1002 3.727 -0.124 5.009 1.00 0.00 C ATOM 669 O ALA A1002 3.621 1.087 5.202 1.00 0.00 O ATOM 670 CB ALA A1002 2.455 -1.354 3.240 1.00 0.00 C ATOM 0 H ALA A1002 1.358 0.721 5.170 1.00 0.00 H new ATOM 0 HA ALA A1002 2.576 -1.890 5.309 1.00 0.00 H new ATOM 0 HB1 ALA A1002 3.378 -1.866 2.967 1.00 0.00 H new ATOM 0 HB2 ALA A1002 1.606 -2.013 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A1002 2.349 -0.451 2.639 1.00 0.00 H new ATOM 676 N GLU A1003 4.892 -0.764 5.033 1.00 0.00 N ATOM 677 CA GLU A1003 6.150 -0.061 5.256 1.00 0.00 C ATOM 678 C GLU A1003 7.214 -0.539 4.272 1.00 0.00 C ATOM 679 O GLU A1003 7.560 -1.721 4.245 1.00 0.00 O ATOM 680 CB GLU A1003 6.631 -0.273 6.692 1.00 0.00 C ATOM 681 CG GLU A1003 7.920 0.462 7.020 1.00 0.00 C ATOM 682 CD GLU A1003 8.375 0.236 8.448 1.00 0.00 C ATOM 683 OE1 GLU A1003 9.133 -0.727 8.685 1.00 0.00 O ATOM 684 OE2 GLU A1003 7.971 1.023 9.331 1.00 0.00 O ATOM 0 H GLU A1003 4.991 -1.771 4.900 1.00 0.00 H new ATOM 0 HA GLU A1003 5.980 1.004 5.095 1.00 0.00 H new ATOM 0 HB2 GLU A1003 5.851 0.055 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A1003 6.778 -1.339 6.863 1.00 0.00 H new ATOM 0 HG2 GLU A1003 8.704 0.135 6.337 1.00 0.00 H new ATOM 0 HG3 GLU A1003 7.777 1.530 6.853 1.00 0.00 H new ATOM 691 N CYS A1004 7.716 0.381 3.454 1.00 0.00 N ATOM 692 CA CYS A1004 8.652 0.030 2.392 1.00 0.00 C ATOM 693 C CYS A1004 10.030 -0.290 2.962 1.00 0.00 C ATOM 694 O CYS A1004 10.802 0.610 3.293 1.00 0.00 O ATOM 695 CB CYS A1004 8.759 1.169 1.376 1.00 0.00 C ATOM 696 SG CYS A1004 9.788 0.775 -0.075 1.00 0.00 S ATOM 0 H CYS A1004 7.490 1.374 3.506 1.00 0.00 H new ATOM 0 HA CYS A1004 8.272 -0.859 1.890 1.00 0.00 H new ATOM 0 HB2 CYS A1004 7.758 1.435 1.037 1.00 0.00 H new ATOM 0 HB3 CYS A1004 9.171 2.047 1.873 1.00 0.00 H new ATOM 701 N ILE A1005 10.331 -1.580 3.073 1.00 0.00 N ATOM 702 CA ILE A1005 11.621 -2.023 3.590 1.00 0.00 C ATOM 703 C ILE A1005 12.405 -2.790 2.529 1.00 0.00 C ATOM 704 O ILE A1005 11.823 -3.465 1.679 1.00 0.00 O ATOM 705 CB ILE A1005 11.452 -2.919 4.833 1.00 0.00 C ATOM 706 CG1 ILE A1005 10.616 -4.154 4.490 1.00 0.00 C ATOM 707 CG2 ILE A1005 10.811 -2.131 5.966 1.00 0.00 C ATOM 708 CD1 ILE A1005 10.542 -5.168 5.611 1.00 0.00 C ATOM 0 H ILE A1005 9.699 -2.337 2.812 1.00 0.00 H new ATOM 0 HA ILE A1005 12.173 -1.126 3.870 1.00 0.00 H new ATOM 0 HB ILE A1005 12.436 -3.254 5.161 1.00 0.00 H new ATOM 0 HG12 ILE A1005 9.606 -3.838 4.231 1.00 0.00 H new ATOM 0 HG13 ILE A1005 11.037 -4.633 3.606 1.00 0.00 H new ATOM 0 HG21 ILE A1005 10.697 -2.775 6.838 1.00 0.00 H new ATOM 0 HG22 ILE A1005 11.444 -1.282 6.222 1.00 0.00 H new ATOM 0 HG23 ILE A1005 9.832 -1.771 5.650 1.00 0.00 H new ATOM 0 HD11 ILE A1005 9.933 -6.015 5.295 1.00 0.00 H new ATOM 0 HD12 ILE A1005 11.546 -5.514 5.856 1.00 0.00 H new ATOM 0 HD13 ILE A1005 10.093 -4.706 6.490 1.00 0.00 H new ATOM 720 N LEU A1006 13.729 -2.682 2.586 1.00 0.00 N ATOM 721 CA LEU A1006 14.594 -3.361 1.629 1.00 0.00 C ATOM 722 C LEU A1006 14.593 -4.866 1.870 1.00 0.00 C ATOM 723 O LEU A1006 15.279 -5.362 2.765 1.00 0.00 O ATOM 724 CB LEU A1006 16.024 -2.819 1.721 1.00 0.00 C ATOM 725 CG LEU A1006 16.187 -1.339 1.361 1.00 0.00 C ATOM 726 CD1 LEU A1006 15.683 -0.452 2.491 1.00 0.00 C ATOM 727 CD2 LEU A1006 17.641 -1.026 1.044 1.00 0.00 C ATOM 0 H LEU A1006 14.226 -2.130 3.285 1.00 0.00 H new ATOM 0 HA LEU A1006 14.206 -3.169 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A1006 16.388 -2.971 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A1006 16.662 -3.409 1.062 1.00 0.00 H new ATOM 0 HG LEU A1006 15.588 -1.134 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A1006 15.808 0.595 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A1006 14.628 -0.656 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A1006 16.252 -0.659 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A1006 17.739 0.030 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A1006 18.259 -1.249 1.914 1.00 0.00 H new ATOM 0 HD23 LEU A1006 17.968 -1.634 0.201 1.00 0.00 H new ATOM 739 N SER A1007 13.821 -5.589 1.064 1.00 0.00 N ATOM 740 CA SER A1007 13.739 -7.041 1.185 1.00 0.00 C ATOM 741 C SER A1007 15.010 -7.703 0.663 1.00 0.00 C ATOM 742 O SER A1007 15.303 -8.852 0.992 1.00 0.00 O ATOM 743 CB SER A1007 12.524 -7.568 0.417 1.00 0.00 C ATOM 744 OG SER A1007 12.603 -7.232 -0.957 1.00 0.00 O ATOM 0 H SER A1007 13.244 -5.194 0.321 1.00 0.00 H new ATOM 0 HA SER A1007 13.630 -7.288 2.241 1.00 0.00 H new ATOM 0 HB2 SER A1007 12.462 -8.651 0.527 1.00 0.00 H new ATOM 0 HB3 SER A1007 11.612 -7.152 0.844 1.00 0.00 H new ATOM 0 HG SER A1007 11.816 -7.581 -1.425 1.00 0.00 H new ATOM 750 N GLY A1008 15.760 -6.969 -0.153 1.00 0.00 N ATOM 751 CA GLY A1008 16.996 -7.496 -0.702 1.00 0.00 C ATOM 752 C GLY A1008 17.676 -6.520 -1.640 1.00 0.00 C ATOM 753 O GLY A1008 18.373 -5.606 -1.197 1.00 0.00 O ATOM 0 H GLY A1008 15.534 -6.018 -0.444 1.00 0.00 H new ATOM 0 HA2 GLY A1008 17.675 -7.745 0.113 1.00 0.00 H new ATOM 0 HA3 GLY A1008 16.787 -8.423 -1.236 1.00 0.00 H new ATOM 757 N ASN A1009 17.473 -6.711 -2.940 1.00 0.00 N ATOM 758 CA ASN A1009 18.065 -5.835 -3.944 1.00 0.00 C ATOM 759 C ASN A1009 17.040 -4.832 -4.462 1.00 0.00 C ATOM 760 O ASN A1009 17.306 -4.088 -5.407 1.00 0.00 O ATOM 761 CB ASN A1009 18.621 -6.659 -5.107 1.00 0.00 C ATOM 762 CG ASN A1009 19.691 -7.640 -4.666 1.00 0.00 C ATOM 763 OD1 ASN A1009 19.836 -8.717 -5.244 1.00 0.00 O ATOM 764 ND2 ASN A1009 20.449 -7.271 -3.639 1.00 0.00 N ATOM 0 H ASN A1009 16.903 -7.465 -3.322 1.00 0.00 H new ATOM 0 HA ASN A1009 18.881 -5.285 -3.475 1.00 0.00 H new ATOM 0 HB2 ASN A1009 17.806 -7.205 -5.583 1.00 0.00 H new ATOM 0 HB3 ASN A1009 19.036 -5.987 -5.858 1.00 0.00 H new ATOM 0 HD21 ASN A1009 21.186 -7.890 -3.301 1.00 0.00 H new ATOM 0 HD22 ASN A1009 20.294 -6.369 -3.189 1.00 0.00 H new ATOM 771 N THR A1010 15.867 -4.819 -3.837 1.00 0.00 N ATOM 772 CA THR A1010 14.792 -3.922 -4.245 1.00 0.00 C ATOM 773 C THR A1010 13.878 -3.597 -3.068 1.00 0.00 C ATOM 774 O THR A1010 13.639 -4.441 -2.204 1.00 0.00 O ATOM 775 CB THR A1010 13.953 -4.534 -5.383 1.00 0.00 C ATOM 776 OG1 THR A1010 14.806 -4.912 -6.471 1.00 0.00 O ATOM 777 CG2 THR A1010 12.905 -3.549 -5.878 1.00 0.00 C ATOM 0 H THR A1010 15.637 -5.420 -3.046 1.00 0.00 H new ATOM 0 HA THR A1010 15.259 -3.005 -4.604 1.00 0.00 H new ATOM 0 HB THR A1010 13.444 -5.415 -4.993 1.00 0.00 H new ATOM 0 HG1 THR A1010 14.266 -5.302 -7.190 1.00 0.00 H new ATOM 0 HG21 THR A1010 12.327 -4.006 -6.681 1.00 0.00 H new ATOM 0 HG22 THR A1010 12.239 -3.283 -5.057 1.00 0.00 H new ATOM 0 HG23 THR A1010 13.397 -2.651 -6.251 1.00 0.00 H new ATOM 785 N ALA A1011 13.374 -2.367 -3.037 1.00 0.00 N ATOM 786 CA ALA A1011 12.510 -1.921 -1.952 1.00 0.00 C ATOM 787 C ALA A1011 11.089 -2.446 -2.127 1.00 0.00 C ATOM 788 O ALA A1011 10.389 -2.067 -3.066 1.00 0.00 O ATOM 789 CB ALA A1011 12.507 -0.402 -1.870 1.00 0.00 C ATOM 0 H ALA A1011 13.550 -1.662 -3.752 1.00 0.00 H new ATOM 0 HA ALA A1011 12.905 -2.324 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A1011 11.857 -0.083 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A1011 13.521 -0.046 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A1011 12.141 0.012 -2.809 1.00 0.00 H new ATOM 795 N HIS A1012 10.669 -3.317 -1.215 1.00 0.00 N ATOM 796 CA HIS A1012 9.322 -3.878 -1.252 1.00 0.00 C ATOM 797 C HIS A1012 8.634 -3.727 0.100 1.00 0.00 C ATOM 798 O HIS A1012 9.262 -3.866 1.149 1.00 0.00 O ATOM 799 CB HIS A1012 9.371 -5.353 -1.649 1.00 0.00 C ATOM 800 CG HIS A1012 9.886 -5.584 -3.036 1.00 0.00 C ATOM 801 ND1 HIS A1012 9.063 -5.682 -4.138 1.00 0.00 N ATOM 802 CD2 HIS A1012 11.150 -5.736 -3.498 1.00 0.00 C ATOM 803 CE1 HIS A1012 9.797 -5.887 -5.217 1.00 0.00 C ATOM 804 NE2 HIS A1012 11.066 -5.923 -4.855 1.00 0.00 N ATOM 0 H HIS A1012 11.242 -3.650 -0.440 1.00 0.00 H new ATOM 0 HA HIS A1012 8.747 -3.328 -1.997 1.00 0.00 H new ATOM 0 HB2 HIS A1012 10.003 -5.890 -0.942 1.00 0.00 H new ATOM 0 HB3 HIS A1012 8.370 -5.776 -1.567 1.00 0.00 H new ATOM 0 HD1 HIS A1012 8.046 -5.608 -4.122 1.00 0.00 H new ATOM 0 HD2 HIS A1012 12.055 -5.714 -2.909 1.00 0.00 H new ATOM 0 HE1 HIS A1012 9.423 -6.005 -6.223 1.00 0.00 H new ATOM 813 N TRP A1013 7.337 -3.435 0.067 1.00 0.00 N ATOM 814 CA TRP A1013 6.569 -3.211 1.287 1.00 0.00 C ATOM 815 C TRP A1013 6.448 -4.496 2.100 1.00 0.00 C ATOM 816 O TRP A1013 6.479 -5.596 1.549 1.00 0.00 O ATOM 817 CB TRP A1013 5.179 -2.675 0.946 1.00 0.00 C ATOM 818 CG TRP A1013 5.210 -1.434 0.107 1.00 0.00 C ATOM 819 CD1 TRP A1013 5.267 -1.367 -1.255 1.00 0.00 C ATOM 820 CD2 TRP A1013 5.187 -0.081 0.574 1.00 0.00 C ATOM 821 NE1 TRP A1013 5.278 -0.055 -1.663 1.00 0.00 N ATOM 822 CE2 TRP A1013 5.229 0.752 -0.559 1.00 0.00 C ATOM 823 CE3 TRP A1013 5.132 0.507 1.841 1.00 0.00 C ATOM 824 CZ2 TRP A1013 5.219 2.141 -0.464 1.00 0.00 C ATOM 825 CZ3 TRP A1013 5.123 1.886 1.934 1.00 0.00 C ATOM 826 CH2 TRP A1013 5.165 2.690 0.787 1.00 0.00 C ATOM 0 H TRP A1013 6.795 -3.348 -0.793 1.00 0.00 H new ATOM 0 HA TRP A1013 7.098 -2.473 1.889 1.00 0.00 H new ATOM 0 HB2 TRP A1013 4.619 -3.447 0.419 1.00 0.00 H new ATOM 0 HB3 TRP A1013 4.641 -2.466 1.871 1.00 0.00 H new ATOM 0 HD1 TRP A1013 5.299 -2.221 -1.916 1.00 0.00 H new ATOM 0 HE1 TRP A1013 5.316 0.265 -2.631 1.00 0.00 H new ATOM 0 HE3 TRP A1013 5.097 -0.105 2.730 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 5.253 2.762 -1.347 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 5.083 2.352 2.907 1.00 0.00 H new ATOM 0 HH2 TRP A1013 5.155 3.765 0.893 1.00 0.00 H new ATOM 837 N SER A1014 6.315 -4.347 3.414 1.00 0.00 N ATOM 838 CA SER A1014 6.235 -5.496 4.310 1.00 0.00 C ATOM 839 C SER A1014 4.932 -6.263 4.103 1.00 0.00 C ATOM 840 O SER A1014 4.944 -7.437 3.730 1.00 0.00 O ATOM 841 CB SER A1014 6.342 -5.039 5.767 1.00 0.00 C ATOM 842 OG SER A1014 7.554 -4.341 5.995 1.00 0.00 O ATOM 0 H SER A1014 6.260 -3.442 3.882 1.00 0.00 H new ATOM 0 HA SER A1014 7.067 -6.162 4.079 1.00 0.00 H new ATOM 0 HB2 SER A1014 5.497 -4.396 6.013 1.00 0.00 H new ATOM 0 HB3 SER A1014 6.287 -5.904 6.428 1.00 0.00 H new ATOM 0 HG SER A1014 7.561 -3.516 5.466 1.00 0.00 H new ATOM 848 N THR A1015 3.812 -5.595 4.359 1.00 0.00 N ATOM 849 CA THR A1015 2.503 -6.236 4.292 1.00 0.00 C ATOM 850 C THR A1015 2.178 -6.690 2.872 1.00 0.00 C ATOM 851 O THR A1015 2.962 -6.480 1.946 1.00 0.00 O ATOM 852 CB THR A1015 1.392 -5.289 4.779 1.00 0.00 C ATOM 853 OG1 THR A1015 1.325 -4.137 3.930 1.00 0.00 O ATOM 854 CG2 THR A1015 1.644 -4.851 6.214 1.00 0.00 C ATOM 0 H THR A1015 3.784 -4.608 4.615 1.00 0.00 H new ATOM 0 HA THR A1015 2.546 -7.107 4.946 1.00 0.00 H new ATOM 0 HB THR A1015 0.444 -5.826 4.741 1.00 0.00 H new ATOM 0 HG1 THR A1015 0.949 -3.383 4.431 1.00 0.00 H new ATOM 0 HG21 THR A1015 0.846 -4.182 6.536 1.00 0.00 H new ATOM 0 HG22 THR A1015 1.668 -5.727 6.863 1.00 0.00 H new ATOM 0 HG23 THR A1015 2.600 -4.330 6.273 1.00 0.00 H new ATOM 862 N LYS A1016 1.015 -7.313 2.711 1.00 0.00 N ATOM 863 CA LYS A1016 0.576 -7.793 1.405 1.00 0.00 C ATOM 864 C LYS A1016 -0.583 -6.946 0.880 1.00 0.00 C ATOM 865 O LYS A1016 -1.424 -6.489 1.654 1.00 0.00 O ATOM 866 CB LYS A1016 0.155 -9.266 1.485 1.00 0.00 C ATOM 867 CG LYS A1016 -1.121 -9.507 2.282 1.00 0.00 C ATOM 868 CD LYS A1016 -0.893 -9.369 3.780 1.00 0.00 C ATOM 869 CE LYS A1016 0.053 -10.437 4.306 1.00 0.00 C ATOM 870 NZ LYS A1016 -0.477 -11.809 4.079 1.00 0.00 N ATOM 0 H LYS A1016 0.359 -7.498 3.470 1.00 0.00 H new ATOM 0 HA LYS A1016 1.414 -7.705 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A1016 0.016 -9.648 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A1016 0.965 -9.840 1.935 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -1.886 -8.798 1.965 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -1.502 -10.505 2.064 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -0.484 -8.382 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -1.848 -9.440 4.301 1.00 0.00 H new ATOM 0 HE2 LYS A1016 1.022 -10.337 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A1016 0.217 -10.283 5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 0.053 -12.487 4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -1.483 -11.840 4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -0.372 -12.060 3.075 1.00 0.00 H new ATOM 884 N PRO A1017 -0.633 -6.719 -0.446 1.00 0.00 N ATOM 885 CA PRO A1017 -1.661 -5.873 -1.066 1.00 0.00 C ATOM 886 C PRO A1017 -3.077 -6.307 -0.693 1.00 0.00 C ATOM 887 O PRO A1017 -3.550 -7.353 -1.139 1.00 0.00 O ATOM 888 CB PRO A1017 -1.424 -6.064 -2.566 1.00 0.00 C ATOM 889 CG PRO A1017 0.007 -6.460 -2.678 1.00 0.00 C ATOM 890 CD PRO A1017 0.313 -7.258 -1.442 1.00 0.00 C ATOM 0 HA PRO A1017 -1.585 -4.837 -0.736 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -2.080 -6.832 -2.975 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -1.625 -5.146 -3.118 1.00 0.00 H new ATOM 0 HG2 PRO A1017 0.179 -7.052 -3.577 1.00 0.00 H new ATOM 0 HG3 PRO A1017 0.651 -5.583 -2.746 1.00 0.00 H new ATOM 0 HD2 PRO A1017 0.161 -8.325 -1.604 1.00 0.00 H new ATOM 0 HD3 PRO A1017 1.348 -7.128 -1.125 1.00 0.00 H new ATOM 898 N PRO A1018 -3.774 -5.503 0.131 1.00 0.00 N ATOM 899 CA PRO A1018 -5.148 -5.801 0.551 1.00 0.00 C ATOM 900 C PRO A1018 -6.156 -5.577 -0.571 1.00 0.00 C ATOM 901 O PRO A1018 -5.791 -5.172 -1.675 1.00 0.00 O ATOM 902 CB PRO A1018 -5.388 -4.814 1.692 1.00 0.00 C ATOM 903 CG PRO A1018 -4.498 -3.661 1.384 1.00 0.00 C ATOM 904 CD PRO A1018 -3.280 -4.241 0.716 1.00 0.00 C ATOM 0 HA PRO A1018 -5.272 -6.845 0.839 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -6.433 -4.507 1.738 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -5.143 -5.257 2.657 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -4.998 -2.946 0.730 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -4.226 -3.125 2.293 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -2.885 -3.572 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -2.476 -4.418 1.431 1.00 0.00 H new ATOM 912 N ILE A1019 -7.426 -5.849 -0.283 1.00 0.00 N ATOM 913 CA ILE A1019 -8.480 -5.721 -1.280 1.00 0.00 C ATOM 914 C ILE A1019 -9.778 -5.227 -0.655 1.00 0.00 C ATOM 915 O ILE A1019 -9.976 -5.320 0.557 1.00 0.00 O ATOM 916 CB ILE A1019 -8.731 -7.062 -1.996 1.00 0.00 C ATOM 917 CG1 ILE A1019 -9.907 -6.964 -2.973 1.00 0.00 C ATOM 918 CG2 ILE A1019 -8.968 -8.172 -0.985 1.00 0.00 C ATOM 919 CD1 ILE A1019 -9.627 -6.083 -4.172 1.00 0.00 C ATOM 0 H ILE A1019 -7.748 -6.159 0.634 1.00 0.00 H new ATOM 0 HA ILE A1019 -8.142 -4.986 -2.011 1.00 0.00 H new ATOM 0 HB ILE A1019 -7.838 -7.302 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -10.164 -7.965 -3.320 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -10.777 -6.577 -2.443 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -9.143 -9.111 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -8.093 -8.273 -0.344 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -9.838 -7.929 -0.375 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -10.503 -6.061 -4.820 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -9.399 -5.072 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -8.777 -6.481 -4.726 1.00 0.00 H new ATOM 931 N CYS A1020 -10.650 -4.696 -1.497 1.00 0.00 N ATOM 932 CA CYS A1020 -11.918 -4.135 -1.045 1.00 0.00 C ATOM 933 C CYS A1020 -13.035 -5.168 -1.153 1.00 0.00 C ATOM 934 O CYS A1020 -13.524 -5.458 -2.246 1.00 0.00 O ATOM 935 CB CYS A1020 -12.272 -2.892 -1.866 1.00 0.00 C ATOM 936 SG CYS A1020 -11.029 -1.561 -1.772 1.00 0.00 S ATOM 0 H CYS A1020 -10.503 -4.641 -2.505 1.00 0.00 H new ATOM 0 HA CYS A1020 -11.811 -3.850 0.001 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -12.400 -3.182 -2.909 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -13.231 -2.504 -1.523 1.00 0.00 H new ATOM 941 N GLN A1021 -13.425 -5.729 -0.012 1.00 0.00 N ATOM 942 CA GLN A1021 -14.424 -6.793 0.020 1.00 0.00 C ATOM 943 C GLN A1021 -15.782 -6.286 -0.454 1.00 0.00 C ATOM 944 O GLN A1021 -16.491 -6.981 -1.181 1.00 0.00 O ATOM 945 CB GLN A1021 -14.547 -7.360 1.435 1.00 0.00 C ATOM 946 CG GLN A1021 -15.529 -8.515 1.545 1.00 0.00 C ATOM 947 CD GLN A1021 -15.636 -9.062 2.956 1.00 0.00 C ATOM 948 OE1 GLN A1021 -15.891 -10.249 3.156 1.00 0.00 O ATOM 949 NE2 GLN A1021 -15.445 -8.196 3.946 1.00 0.00 N ATOM 0 H GLN A1021 -13.064 -5.464 0.904 1.00 0.00 H new ATOM 0 HA GLN A1021 -14.097 -7.582 -0.657 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -13.565 -7.696 1.769 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -14.859 -6.564 2.111 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -16.513 -8.183 1.213 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -15.219 -9.315 0.872 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -15.235 -7.220 3.736 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -15.508 -8.507 4.915 1.00 0.00 H new ATOM 958 N ARG A1022 -16.142 -5.078 -0.023 1.00 0.00 N ATOM 959 CA ARG A1022 -17.450 -4.508 -0.329 1.00 0.00 C ATOM 960 C ARG A1022 -18.570 -5.358 0.263 1.00 0.00 C ATOM 961 O ARG A1022 -18.785 -6.498 -0.149 1.00 0.00 O ATOM 962 CB ARG A1022 -17.638 -4.376 -1.842 1.00 0.00 C ATOM 963 CG ARG A1022 -18.995 -3.816 -2.238 1.00 0.00 C ATOM 964 CD ARG A1022 -19.122 -3.675 -3.745 1.00 0.00 C ATOM 965 NE ARG A1022 -18.982 -4.958 -4.429 1.00 0.00 N ATOM 966 CZ ARG A1022 -19.047 -5.101 -5.749 1.00 0.00 C ATOM 967 NH1 ARG A1022 -19.249 -4.045 -6.524 1.00 0.00 N ATOM 968 NH2 ARG A1022 -18.910 -6.302 -6.295 1.00 0.00 N ATOM 0 H ARG A1022 -15.543 -4.475 0.541 1.00 0.00 H new ATOM 0 HA ARG A1022 -17.495 -3.516 0.121 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -16.856 -3.730 -2.242 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -17.509 -5.355 -2.303 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -19.783 -4.471 -1.865 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -19.140 -2.844 -1.767 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -20.091 -3.239 -3.988 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -18.361 -2.985 -4.110 1.00 0.00 H new ATOM 0 HE ARG A1022 -18.826 -5.791 -3.862 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -19.355 -3.120 -6.108 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -19.298 -4.158 -7.537 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -18.755 -7.117 -5.702 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -18.960 -6.410 -7.308 1.00 0.00 H new ATOM 982 N ILE A1023 -19.283 -4.792 1.233 1.00 0.00 N ATOM 983 CA ILE A1023 -20.367 -5.497 1.897 1.00 0.00 C ATOM 984 C ILE A1023 -21.714 -5.181 1.246 1.00 0.00 C ATOM 985 O ILE A1023 -21.895 -4.110 0.667 1.00 0.00 O ATOM 986 CB ILE A1023 -20.431 -5.142 3.396 1.00 0.00 C ATOM 987 CG1 ILE A1023 -19.930 -3.716 3.645 1.00 0.00 C ATOM 988 CG2 ILE A1023 -19.625 -6.142 4.212 1.00 0.00 C ATOM 989 CD1 ILE A1023 -20.835 -2.642 3.082 1.00 0.00 C ATOM 0 H ILE A1023 -19.126 -3.844 1.575 1.00 0.00 H new ATOM 0 HA ILE A1023 -20.163 -6.563 1.793 1.00 0.00 H new ATOM 0 HB ILE A1023 -21.473 -5.192 3.713 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -19.823 -3.561 4.719 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -18.938 -3.608 3.207 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -19.680 -5.878 5.268 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -20.032 -7.143 4.066 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -18.585 -6.123 3.887 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -20.413 -1.661 3.298 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -20.923 -2.769 2.003 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -21.822 -2.722 3.538 1.00 0.00 H new ATOM 1001 N PRO A1024 -22.678 -6.116 1.332 1.00 0.00 N ATOM 1002 CA PRO A1024 -24.015 -5.927 0.758 1.00 0.00 C ATOM 1003 C PRO A1024 -24.808 -4.846 1.483 1.00 0.00 C ATOM 1004 O PRO A1024 -25.490 -5.177 2.476 1.00 0.00 O ATOM 1005 CB PRO A1024 -24.680 -7.295 0.941 1.00 0.00 C ATOM 1006 CG PRO A1024 -23.960 -7.915 2.087 1.00 0.00 C ATOM 1007 CD PRO A1024 -22.542 -7.427 1.995 1.00 0.00 C ATOM 1008 OXT PRO A1024 -24.741 -3.675 1.053 1.00 0.00 O ATOM 0 HA PRO A1024 -23.970 -5.598 -0.280 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -25.745 -7.193 1.151 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -24.589 -7.903 0.041 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -24.412 -7.625 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -24.003 -9.003 2.033 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -22.084 -7.334 2.980 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -21.919 -8.108 1.416 1.00 0.00 H new