USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=17 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 988 TYR OH : rot 130:sc= -0.438 USER MOD Set 1.2: A1015 THR OG1 : rot -171:sc= 1.6 USER MOD Single : A 962 SER OG : rot 24:sc= -1.65! USER MOD Single : A 964 LYS NZ :NH3+ 164:sc= -0.0584 (180deg=-0.296) USER MOD Single : A 965 THR OG1 : rot -7:sc= 1.03 USER MOD Single : A 971 ASN : amide:sc= -0.168 K(o=-0.17,f=-4.4!) USER MOD Single : A 973 MET CE :methyl -149:sc= -0.624 (180deg=-2.63) USER MOD Single : A 975 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 978 THR OG1 : rot 95:sc= -0.112 USER MOD Single : A 981 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 984 SER OG : rot 94:sc= 0.0336 USER MOD Single : A 987 THR OG1 : rot 180:sc= 0 USER MOD Single : A 989 SER OG : rot 180:sc= -0.163 USER MOD Single : A 991 THR OG1 : rot -29:sc= 0.626 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 994 HIS : no HD1:sc= -4.75! C(o=-4.8!,f=-7.4!) USER MOD Single : A 999 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1000 SER OG : rot 180:sc= 0 USER MOD Single : A1001 SER OG : rot 42:sc= 1.16 USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1009 ASN : amide:sc= -0.359 K(o=-0.36,f=-3.7!) USER MOD Single : A1010 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A1012 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A1014 SER OG : rot 180:sc= 0 USER MOD Single : A1016 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1021 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 962 13.718 3.549 -1.928 1.00 0.00 N ATOM 76 CA SER A 962 12.555 4.275 -2.434 1.00 0.00 C ATOM 77 C SER A 962 11.630 3.354 -3.225 1.00 0.00 C ATOM 78 O SER A 962 11.944 2.954 -4.346 1.00 0.00 O ATOM 79 CB SER A 962 12.997 5.450 -3.310 1.00 0.00 C ATOM 80 OG SER A 962 13.827 6.343 -2.587 1.00 0.00 O ATOM 0 HA SER A 962 12.003 4.659 -1.576 1.00 0.00 H new ATOM 0 HB2 SER A 962 13.533 5.076 -4.182 1.00 0.00 H new ATOM 0 HB3 SER A 962 12.120 5.982 -3.679 1.00 0.00 H new ATOM 0 HG SER A 962 14.255 5.865 -1.846 1.00 0.00 H new ATOM 86 N CYS A 963 10.483 3.033 -2.635 1.00 0.00 N ATOM 87 CA CYS A 963 9.481 2.209 -3.303 1.00 0.00 C ATOM 88 C CYS A 963 8.890 2.943 -4.504 1.00 0.00 C ATOM 89 O CYS A 963 9.200 4.110 -4.743 1.00 0.00 O ATOM 90 CB CYS A 963 8.369 1.825 -2.324 1.00 0.00 C ATOM 91 SG CYS A 963 8.916 0.739 -0.967 1.00 0.00 S ATOM 0 H CYS A 963 10.224 3.331 -1.695 1.00 0.00 H new ATOM 0 HA CYS A 963 9.969 1.301 -3.658 1.00 0.00 H new ATOM 0 HB2 CYS A 963 7.944 2.734 -1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 963 7.571 1.327 -2.874 1.00 0.00 H new ATOM 96 N LYS A 964 8.048 2.247 -5.265 1.00 0.00 N ATOM 97 CA LYS A 964 7.499 2.802 -6.496 1.00 0.00 C ATOM 98 C LYS A 964 5.972 2.758 -6.485 1.00 0.00 C ATOM 99 O LYS A 964 5.343 2.503 -7.511 1.00 0.00 O ATOM 100 CB LYS A 964 8.041 2.037 -7.707 1.00 0.00 C ATOM 101 CG LYS A 964 7.790 2.735 -9.035 1.00 0.00 C ATOM 102 CD LYS A 964 8.354 1.940 -10.203 1.00 0.00 C ATOM 103 CE LYS A 964 7.637 0.610 -10.375 1.00 0.00 C ATOM 104 NZ LYS A 964 6.183 0.791 -10.642 1.00 0.00 N ATOM 0 H LYS A 964 7.733 1.301 -5.050 1.00 0.00 H new ATOM 0 HA LYS A 964 7.808 3.845 -6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 964 9.114 1.889 -7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 964 7.584 1.048 -7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 964 6.718 2.877 -9.175 1.00 0.00 H new ATOM 0 HG3 LYS A 964 8.243 3.726 -9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 964 8.263 2.524 -11.119 1.00 0.00 H new ATOM 0 HD3 LYS A 964 9.417 1.762 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 964 8.091 0.057 -11.198 1.00 0.00 H new ATOM 0 HE3 LYS A 964 7.768 0.008 -9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 5.786 -0.094 -11.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 5.696 1.042 -9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 6.050 1.552 -11.338 1.00 0.00 H new ATOM 118 N THR A 965 5.389 3.025 -5.315 1.00 0.00 N ATOM 119 CA THR A 965 3.937 3.134 -5.166 1.00 0.00 C ATOM 120 C THR A 965 3.227 1.829 -5.531 1.00 0.00 C ATOM 121 O THR A 965 3.542 1.197 -6.539 1.00 0.00 O ATOM 122 CB THR A 965 3.355 4.279 -6.022 1.00 0.00 C ATOM 123 OG1 THR A 965 3.350 3.914 -7.406 1.00 0.00 O ATOM 124 CG2 THR A 965 4.159 5.557 -5.833 1.00 0.00 C ATOM 0 H THR A 965 5.907 3.171 -4.448 1.00 0.00 H new ATOM 0 HA THR A 965 3.760 3.353 -4.113 1.00 0.00 H new ATOM 0 HB THR A 965 2.331 4.457 -5.695 1.00 0.00 H new ATOM 0 HG1 THR A 965 3.814 3.058 -7.520 1.00 0.00 H new ATOM 0 HG21 THR A 965 3.731 6.350 -6.446 1.00 0.00 H new ATOM 0 HG22 THR A 965 4.131 5.853 -4.784 1.00 0.00 H new ATOM 0 HG23 THR A 965 5.193 5.384 -6.133 1.00 0.00 H new ATOM 132 N PRO A 966 2.246 1.413 -4.711 1.00 0.00 N ATOM 133 CA PRO A 966 1.458 0.207 -4.969 1.00 0.00 C ATOM 134 C PRO A 966 0.352 0.445 -5.996 1.00 0.00 C ATOM 135 O PRO A 966 -0.370 1.439 -5.918 1.00 0.00 O ATOM 136 CB PRO A 966 0.858 -0.104 -3.602 1.00 0.00 C ATOM 137 CG PRO A 966 0.697 1.229 -2.956 1.00 0.00 C ATOM 138 CD PRO A 966 1.826 2.087 -3.465 1.00 0.00 C ATOM 0 HA PRO A 966 2.060 -0.600 -5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -0.098 -0.618 -3.696 1.00 0.00 H new ATOM 0 HB3 PRO A 966 1.513 -0.752 -3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -0.268 1.668 -3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 966 0.735 1.142 -1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 966 1.498 3.109 -3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 966 2.643 2.142 -2.745 1.00 0.00 H new ATOM 146 N PRO A 967 0.201 -0.471 -6.970 1.00 0.00 N ATOM 147 CA PRO A 967 -0.852 -0.377 -7.988 1.00 0.00 C ATOM 148 C PRO A 967 -2.238 -0.227 -7.371 1.00 0.00 C ATOM 149 O PRO A 967 -2.540 -0.839 -6.347 1.00 0.00 O ATOM 150 CB PRO A 967 -0.744 -1.707 -8.739 1.00 0.00 C ATOM 151 CG PRO A 967 0.660 -2.153 -8.524 1.00 0.00 C ATOM 152 CD PRO A 967 1.042 -1.669 -7.154 1.00 0.00 C ATOM 0 HA PRO A 967 -0.725 0.498 -8.626 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -1.455 -2.438 -8.353 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -0.961 -1.581 -9.800 1.00 0.00 H new ATOM 0 HG2 PRO A 967 0.739 -3.238 -8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 967 1.322 -1.737 -9.284 1.00 0.00 H new ATOM 0 HD2 PRO A 967 0.842 -2.422 -6.391 1.00 0.00 H new ATOM 0 HD3 PRO A 967 2.103 -1.428 -7.094 1.00 0.00 H new ATOM 160 N ASP A 968 -3.073 0.600 -7.998 1.00 0.00 N ATOM 161 CA ASP A 968 -4.411 0.879 -7.483 1.00 0.00 C ATOM 162 C ASP A 968 -5.212 -0.410 -7.292 1.00 0.00 C ATOM 163 O ASP A 968 -5.629 -1.040 -8.264 1.00 0.00 O ATOM 164 CB ASP A 968 -5.154 1.829 -8.427 1.00 0.00 C ATOM 165 CG ASP A 968 -4.908 1.512 -9.890 1.00 0.00 C ATOM 166 OD1 ASP A 968 -4.757 0.318 -10.225 1.00 0.00 O ATOM 167 OD2 ASP A 968 -4.867 2.460 -10.702 1.00 0.00 O ATOM 0 H ASP A 968 -2.846 1.089 -8.864 1.00 0.00 H new ATOM 0 HA ASP A 968 -4.304 1.356 -6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -6.223 1.775 -8.223 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -4.842 2.854 -8.224 1.00 0.00 H new ATOM 172 N PRO A 969 -5.427 -0.821 -6.029 1.00 0.00 N ATOM 173 CA PRO A 969 -6.118 -2.067 -5.703 1.00 0.00 C ATOM 174 C PRO A 969 -7.635 -1.922 -5.762 1.00 0.00 C ATOM 175 O PRO A 969 -8.213 -1.107 -5.044 1.00 0.00 O ATOM 176 CB PRO A 969 -5.672 -2.367 -4.261 1.00 0.00 C ATOM 177 CG PRO A 969 -4.744 -1.255 -3.868 1.00 0.00 C ATOM 178 CD PRO A 969 -5.005 -0.121 -4.815 1.00 0.00 C ATOM 0 HA PRO A 969 -5.874 -2.858 -6.412 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -6.530 -2.413 -3.590 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -5.169 -3.332 -4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -4.923 -0.948 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -3.705 -1.578 -3.929 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -5.779 0.550 -4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -4.113 0.483 -4.983 1.00 0.00 H new ATOM 186 N VAL A 970 -8.267 -2.734 -6.612 1.00 0.00 N ATOM 187 CA VAL A 970 -9.724 -2.791 -6.708 1.00 0.00 C ATOM 188 C VAL A 970 -10.347 -1.390 -6.712 1.00 0.00 C ATOM 189 O VAL A 970 -9.657 -0.396 -6.932 1.00 0.00 O ATOM 190 CB VAL A 970 -10.303 -3.647 -5.558 1.00 0.00 C ATOM 191 CG1 VAL A 970 -10.397 -2.844 -4.270 1.00 0.00 C ATOM 192 CG2 VAL A 970 -11.651 -4.241 -5.940 1.00 0.00 C ATOM 0 H VAL A 970 -7.784 -3.367 -7.250 1.00 0.00 H new ATOM 0 HA VAL A 970 -9.979 -3.261 -7.658 1.00 0.00 H new ATOM 0 HB VAL A 970 -9.617 -4.475 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -10.808 -3.472 -3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -9.403 -2.501 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -11.048 -1.983 -4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -12.033 -4.838 -5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -12.353 -3.437 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -11.534 -4.874 -6.820 1.00 0.00 H new ATOM 202 N ASN A 971 -11.658 -1.320 -6.486 1.00 0.00 N ATOM 203 CA ASN A 971 -12.369 -0.047 -6.451 1.00 0.00 C ATOM 204 C ASN A 971 -11.642 0.968 -5.573 1.00 0.00 C ATOM 205 O ASN A 971 -11.635 2.164 -5.866 1.00 0.00 O ATOM 206 CB ASN A 971 -13.795 -0.252 -5.933 1.00 0.00 C ATOM 207 CG ASN A 971 -14.621 -1.141 -6.841 1.00 0.00 C ATOM 208 OD1 ASN A 971 -14.089 -2.016 -7.524 1.00 0.00 O ATOM 209 ND2 ASN A 971 -15.931 -0.923 -6.850 1.00 0.00 N ATOM 0 H ASN A 971 -12.250 -2.135 -6.324 1.00 0.00 H new ATOM 0 HA ASN A 971 -12.406 0.344 -7.468 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -13.756 -0.692 -4.937 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -14.285 0.717 -5.835 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -16.539 -1.492 -7.439 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -16.329 -0.187 -6.268 1.00 0.00 H new ATOM 216 N GLY A 972 -11.032 0.483 -4.497 1.00 0.00 N ATOM 217 CA GLY A 972 -10.313 1.361 -3.592 1.00 0.00 C ATOM 218 C GLY A 972 -9.109 2.011 -4.245 1.00 0.00 C ATOM 219 O GLY A 972 -8.737 1.662 -5.366 1.00 0.00 O ATOM 0 H GLY A 972 -11.023 -0.503 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -10.989 2.136 -3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -9.987 0.792 -2.722 1.00 0.00 H new ATOM 223 N MET A 973 -8.499 2.962 -3.542 1.00 0.00 N ATOM 224 CA MET A 973 -7.335 3.670 -4.062 1.00 0.00 C ATOM 225 C MET A 973 -6.341 3.974 -2.946 1.00 0.00 C ATOM 226 O MET A 973 -6.732 4.262 -1.815 1.00 0.00 O ATOM 227 CB MET A 973 -7.763 4.969 -4.751 1.00 0.00 C ATOM 228 CG MET A 973 -8.391 5.988 -3.812 1.00 0.00 C ATOM 229 SD MET A 973 -9.988 5.455 -3.164 1.00 0.00 S ATOM 230 CE MET A 973 -10.933 5.293 -4.676 1.00 0.00 C ATOM 0 H MET A 973 -8.792 3.259 -2.611 1.00 0.00 H new ATOM 0 HA MET A 973 -6.847 3.026 -4.794 1.00 0.00 H new ATOM 0 HB2 MET A 973 -6.893 5.419 -5.229 1.00 0.00 H new ATOM 0 HB3 MET A 973 -8.475 4.732 -5.542 1.00 0.00 H new ATOM 0 HG2 MET A 973 -7.712 6.175 -2.981 1.00 0.00 H new ATOM 0 HG3 MET A 973 -8.516 6.933 -4.341 1.00 0.00 H new ATOM 0 HE1 MET A 973 -11.981 5.516 -4.476 1.00 0.00 H new ATOM 0 HE2 MET A 973 -10.550 5.990 -5.421 1.00 0.00 H new ATOM 0 HE3 MET A 973 -10.844 4.274 -5.053 1.00 0.00 H new ATOM 240 N VAL A 974 -5.054 3.905 -3.271 1.00 0.00 N ATOM 241 CA VAL A 974 -4.003 4.158 -2.292 1.00 0.00 C ATOM 242 C VAL A 974 -3.651 5.642 -2.235 1.00 0.00 C ATOM 243 O VAL A 974 -3.507 6.297 -3.268 1.00 0.00 O ATOM 244 CB VAL A 974 -2.732 3.345 -2.608 1.00 0.00 C ATOM 245 CG1 VAL A 974 -2.193 3.700 -3.985 1.00 0.00 C ATOM 246 CG2 VAL A 974 -1.672 3.569 -1.538 1.00 0.00 C ATOM 0 H VAL A 974 -4.714 3.676 -4.205 1.00 0.00 H new ATOM 0 HA VAL A 974 -4.390 3.844 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 974 -2.995 2.287 -2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -1.296 3.114 -4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -2.948 3.479 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -1.948 4.762 -4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -0.783 2.987 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -1.413 4.627 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -2.060 3.254 -0.570 1.00 0.00 H new ATOM 256 N HIS A 975 -3.526 6.169 -1.021 1.00 0.00 N ATOM 257 CA HIS A 975 -3.243 7.584 -0.827 1.00 0.00 C ATOM 258 C HIS A 975 -1.745 7.826 -0.660 1.00 0.00 C ATOM 259 O HIS A 975 -1.130 7.341 0.289 1.00 0.00 O ATOM 260 CB HIS A 975 -3.994 8.109 0.398 1.00 0.00 C ATOM 261 CG HIS A 975 -3.927 9.596 0.544 1.00 0.00 C ATOM 262 ND1 HIS A 975 -3.427 10.222 1.666 1.00 0.00 N ATOM 263 CD2 HIS A 975 -4.301 10.582 -0.302 1.00 0.00 C ATOM 264 CE1 HIS A 975 -3.500 11.532 1.504 1.00 0.00 C ATOM 265 NE2 HIS A 975 -4.026 11.776 0.317 1.00 0.00 N ATOM 0 H HIS A 975 -3.617 5.635 -0.157 1.00 0.00 H new ATOM 0 HA HIS A 975 -3.581 8.121 -1.714 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -5.039 7.805 0.332 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -3.582 7.645 1.294 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -4.735 10.454 -1.282 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -3.184 12.276 2.220 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -4.200 12.701 -0.076 1.00 0.00 H new ATOM 274 N VAL A 976 -1.170 8.592 -1.582 1.00 0.00 N ATOM 275 CA VAL A 976 0.232 8.981 -1.488 1.00 0.00 C ATOM 276 C VAL A 976 0.381 10.301 -0.737 1.00 0.00 C ATOM 277 O VAL A 976 -0.079 11.345 -1.200 1.00 0.00 O ATOM 278 CB VAL A 976 0.871 9.119 -2.885 1.00 0.00 C ATOM 279 CG1 VAL A 976 2.316 9.585 -2.772 1.00 0.00 C ATOM 280 CG2 VAL A 976 0.788 7.803 -3.642 1.00 0.00 C ATOM 0 H VAL A 976 -1.654 8.956 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 976 0.748 8.192 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 976 0.314 9.871 -3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 976 2.748 9.676 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 976 2.348 10.554 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 976 2.888 8.860 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 976 1.244 7.920 -4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 976 1.318 7.029 -3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -0.257 7.515 -3.758 1.00 0.00 H new ATOM 290 N ILE A 977 1.019 10.241 0.428 1.00 0.00 N ATOM 291 CA ILE A 977 1.195 11.420 1.267 1.00 0.00 C ATOM 292 C ILE A 977 2.003 12.495 0.547 1.00 0.00 C ATOM 293 O ILE A 977 1.468 13.537 0.168 1.00 0.00 O ATOM 294 CB ILE A 977 1.901 11.060 2.588 1.00 0.00 C ATOM 295 CG1 ILE A 977 1.152 9.928 3.295 1.00 0.00 C ATOM 296 CG2 ILE A 977 2.000 12.283 3.489 1.00 0.00 C ATOM 297 CD1 ILE A 977 1.926 9.312 4.439 1.00 0.00 C ATOM 0 H ILE A 977 1.423 9.387 0.812 1.00 0.00 H new ATOM 0 HA ILE A 977 0.200 11.808 1.485 1.00 0.00 H new ATOM 0 HB ILE A 977 2.912 10.719 2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 977 0.204 10.311 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 977 0.914 9.151 2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 977 2.501 12.011 4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 977 2.570 13.062 2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 977 0.999 12.653 3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 977 1.334 8.517 4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 977 2.862 8.898 4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 977 2.141 10.076 5.186 1.00 0.00 H new ATOM 309 N THR A 978 3.295 12.240 0.370 1.00 0.00 N ATOM 310 CA THR A 978 4.184 13.199 -0.276 1.00 0.00 C ATOM 311 C THR A 978 5.217 12.494 -1.145 1.00 0.00 C ATOM 312 O THR A 978 5.352 12.790 -2.332 1.00 0.00 O ATOM 313 CB THR A 978 4.916 14.073 0.760 1.00 0.00 C ATOM 314 OG1 THR A 978 5.593 13.244 1.711 1.00 0.00 O ATOM 315 CG2 THR A 978 3.942 14.993 1.482 1.00 0.00 C ATOM 0 H THR A 978 3.750 11.376 0.665 1.00 0.00 H new ATOM 0 HA THR A 978 3.559 13.835 -0.902 1.00 0.00 H new ATOM 0 HB THR A 978 5.645 14.688 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 978 6.526 13.125 1.436 1.00 0.00 H new ATOM 0 HG21 THR A 978 4.484 15.599 2.208 1.00 0.00 H new ATOM 0 HG22 THR A 978 3.453 15.645 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 978 3.191 14.395 1.998 1.00 0.00 H new ATOM 323 N ASP A 979 5.947 11.561 -0.545 1.00 0.00 N ATOM 324 CA ASP A 979 6.985 10.827 -1.250 1.00 0.00 C ATOM 325 C ASP A 979 6.799 9.325 -1.065 1.00 0.00 C ATOM 326 O ASP A 979 5.733 8.867 -0.657 1.00 0.00 O ATOM 327 CB ASP A 979 8.367 11.251 -0.747 1.00 0.00 C ATOM 328 CG ASP A 979 8.629 12.729 -0.953 1.00 0.00 C ATOM 329 OD1 ASP A 979 8.302 13.523 -0.044 1.00 0.00 O ATOM 330 OD2 ASP A 979 9.162 13.095 -2.022 1.00 0.00 O ATOM 0 H ASP A 979 5.836 11.296 0.434 1.00 0.00 H new ATOM 0 HA ASP A 979 6.909 11.058 -2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 979 8.453 11.014 0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 979 9.132 10.674 -1.266 1.00 0.00 H new ATOM 335 N ILE A 980 7.839 8.565 -1.383 1.00 0.00 N ATOM 336 CA ILE A 980 7.765 7.110 -1.338 1.00 0.00 C ATOM 337 C ILE A 980 9.126 6.501 -1.022 1.00 0.00 C ATOM 338 O ILE A 980 9.467 5.425 -1.514 1.00 0.00 O ATOM 339 CB ILE A 980 7.249 6.540 -2.672 1.00 0.00 C ATOM 340 CG1 ILE A 980 7.757 7.389 -3.839 1.00 0.00 C ATOM 341 CG2 ILE A 980 5.728 6.480 -2.670 1.00 0.00 C ATOM 342 CD1 ILE A 980 7.387 6.842 -5.200 1.00 0.00 C ATOM 0 H ILE A 980 8.745 8.932 -1.675 1.00 0.00 H new ATOM 0 HA ILE A 980 7.065 6.847 -0.545 1.00 0.00 H new ATOM 0 HB ILE A 980 7.629 5.526 -2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 980 7.357 8.398 -3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 980 8.842 7.469 -3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 980 5.379 6.075 -3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 980 5.390 5.839 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 980 5.324 7.483 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 980 7.782 7.498 -5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 980 7.810 5.844 -5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 980 6.302 6.789 -5.288 1.00 0.00 H new ATOM 354 N GLN A 981 9.897 7.197 -0.192 1.00 0.00 N ATOM 355 CA GLN A 981 11.210 6.713 0.217 1.00 0.00 C ATOM 356 C GLN A 981 11.130 6.002 1.563 1.00 0.00 C ATOM 357 O GLN A 981 10.043 5.800 2.105 1.00 0.00 O ATOM 358 CB GLN A 981 12.202 7.876 0.299 1.00 0.00 C ATOM 359 CG GLN A 981 12.359 8.634 -1.008 1.00 0.00 C ATOM 360 CD GLN A 981 13.343 9.782 -0.903 1.00 0.00 C ATOM 361 OE1 GLN A 981 14.292 9.733 -0.120 1.00 0.00 O ATOM 362 NE2 GLN A 981 13.122 10.826 -1.693 1.00 0.00 N ATOM 0 H GLN A 981 9.635 8.097 0.210 1.00 0.00 H new ATOM 0 HA GLN A 981 11.558 6.000 -0.531 1.00 0.00 H new ATOM 0 HB2 GLN A 981 11.874 8.569 1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 981 13.175 7.492 0.606 1.00 0.00 H new ATOM 0 HG2 GLN A 981 12.691 7.946 -1.785 1.00 0.00 H new ATOM 0 HG3 GLN A 981 11.388 9.020 -1.318 1.00 0.00 H new ATOM 0 HE21 GLN A 981 12.323 10.825 -2.327 1.00 0.00 H new ATOM 0 HE22 GLN A 981 13.751 11.629 -1.665 1.00 0.00 H new ATOM 371 N VAL A 982 12.287 5.627 2.101 1.00 0.00 N ATOM 372 CA VAL A 982 12.349 4.962 3.396 1.00 0.00 C ATOM 373 C VAL A 982 11.762 5.846 4.495 1.00 0.00 C ATOM 374 O VAL A 982 11.978 7.059 4.512 1.00 0.00 O ATOM 375 CB VAL A 982 13.798 4.587 3.766 1.00 0.00 C ATOM 376 CG1 VAL A 982 14.684 5.822 3.785 1.00 0.00 C ATOM 377 CG2 VAL A 982 13.842 3.868 5.107 1.00 0.00 C ATOM 0 H VAL A 982 13.194 5.773 1.659 1.00 0.00 H new ATOM 0 HA VAL A 982 11.758 4.050 3.315 1.00 0.00 H new ATOM 0 HB VAL A 982 14.180 3.907 3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 982 15.702 5.535 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 982 14.681 6.287 2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 982 14.305 6.531 4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 982 14.874 3.612 5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 982 13.438 4.519 5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 982 13.246 2.957 5.051 1.00 0.00 H new ATOM 387 N GLY A 983 11.017 5.231 5.408 1.00 0.00 N ATOM 388 CA GLY A 983 10.416 5.975 6.498 1.00 0.00 C ATOM 389 C GLY A 983 9.005 6.433 6.181 1.00 0.00 C ATOM 390 O GLY A 983 8.259 6.830 7.076 1.00 0.00 O ATOM 0 H GLY A 983 10.819 4.230 5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 983 10.400 5.353 7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 983 11.034 6.844 6.725 1.00 0.00 H new ATOM 394 N SER A 984 8.639 6.375 4.905 1.00 0.00 N ATOM 395 CA SER A 984 7.304 6.774 4.473 1.00 0.00 C ATOM 396 C SER A 984 6.294 5.663 4.735 1.00 0.00 C ATOM 397 O SER A 984 6.551 4.495 4.441 1.00 0.00 O ATOM 398 CB SER A 984 7.311 7.133 2.985 1.00 0.00 C ATOM 399 OG SER A 984 8.196 8.210 2.724 1.00 0.00 O ATOM 0 H SER A 984 9.248 6.056 4.152 1.00 0.00 H new ATOM 0 HA SER A 984 7.010 7.652 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 984 7.609 6.263 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 984 6.303 7.401 2.668 1.00 0.00 H new ATOM 0 HG SER A 984 9.072 7.857 2.462 1.00 0.00 H new ATOM 405 N ARG A 985 5.146 6.032 5.294 1.00 0.00 N ATOM 406 CA ARG A 985 4.110 5.061 5.626 1.00 0.00 C ATOM 407 C ARG A 985 2.739 5.546 5.164 1.00 0.00 C ATOM 408 O ARG A 985 2.003 6.175 5.925 1.00 0.00 O ATOM 409 CB ARG A 985 4.093 4.801 7.136 1.00 0.00 C ATOM 410 CG ARG A 985 3.088 3.743 7.561 1.00 0.00 C ATOM 411 CD ARG A 985 3.118 3.519 9.063 1.00 0.00 C ATOM 412 NE ARG A 985 2.164 2.496 9.485 1.00 0.00 N ATOM 413 CZ ARG A 985 2.000 2.115 10.748 1.00 0.00 C ATOM 414 NH1 ARG A 985 2.725 2.669 11.711 1.00 0.00 N ATOM 415 NH2 ARG A 985 1.111 1.178 11.049 1.00 0.00 N ATOM 0 H ARG A 985 4.910 6.997 5.527 1.00 0.00 H new ATOM 0 HA ARG A 985 4.338 4.131 5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 985 5.089 4.493 7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 985 3.867 5.733 7.654 1.00 0.00 H new ATOM 0 HG2 ARG A 985 2.087 4.048 7.257 1.00 0.00 H new ATOM 0 HG3 ARG A 985 3.305 2.806 7.048 1.00 0.00 H new ATOM 0 HD2 ARG A 985 4.123 3.224 9.365 1.00 0.00 H new ATOM 0 HD3 ARG A 985 2.894 4.456 9.573 1.00 0.00 H new ATOM 0 HE ARG A 985 1.591 2.049 8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 985 3.410 3.389 11.483 1.00 0.00 H new ATOM 0 HH12 ARG A 985 2.597 2.375 12.679 1.00 0.00 H new ATOM 0 HH21 ARG A 985 0.552 0.749 10.311 1.00 0.00 H new ATOM 0 HH22 ARG A 985 0.986 0.886 12.018 1.00 0.00 H new ATOM 429 N ILE A 986 2.401 5.243 3.915 1.00 0.00 N ATOM 430 CA ILE A 986 1.098 5.602 3.368 1.00 0.00 C ATOM 431 C ILE A 986 0.041 4.578 3.762 1.00 0.00 C ATOM 432 O ILE A 986 0.361 3.515 4.293 1.00 0.00 O ATOM 433 CB ILE A 986 1.144 5.715 1.831 1.00 0.00 C ATOM 434 CG1 ILE A 986 1.519 4.369 1.210 1.00 0.00 C ATOM 435 CG2 ILE A 986 2.130 6.796 1.411 1.00 0.00 C ATOM 436 CD1 ILE A 986 1.499 4.369 -0.303 1.00 0.00 C ATOM 0 H ILE A 986 3.011 4.750 3.263 1.00 0.00 H new ATOM 0 HA ILE A 986 0.834 6.574 3.785 1.00 0.00 H new ATOM 0 HB ILE A 986 0.154 5.994 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 986 2.515 4.087 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 986 0.830 3.607 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 986 2.153 6.865 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 986 1.820 7.754 1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 986 3.125 6.544 1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 986 1.776 3.381 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 986 0.498 4.620 -0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 986 2.209 5.107 -0.676 1.00 0.00 H new ATOM 448 N THR A 987 -1.222 4.910 3.516 1.00 0.00 N ATOM 449 CA THR A 987 -2.331 4.066 3.944 1.00 0.00 C ATOM 450 C THR A 987 -3.277 3.764 2.788 1.00 0.00 C ATOM 451 O THR A 987 -3.533 4.620 1.941 1.00 0.00 O ATOM 452 CB THR A 987 -3.128 4.725 5.085 1.00 0.00 C ATOM 453 OG1 THR A 987 -3.654 5.985 4.651 1.00 0.00 O ATOM 454 CG2 THR A 987 -2.250 4.932 6.310 1.00 0.00 C ATOM 0 H THR A 987 -1.503 5.757 3.023 1.00 0.00 H new ATOM 0 HA THR A 987 -1.896 3.133 4.303 1.00 0.00 H new ATOM 0 HB THR A 987 -3.950 4.061 5.355 1.00 0.00 H new ATOM 0 HG1 THR A 987 -4.161 6.397 5.382 1.00 0.00 H new ATOM 0 HG21 THR A 987 -2.835 5.399 7.102 1.00 0.00 H new ATOM 0 HG22 THR A 987 -1.875 3.969 6.656 1.00 0.00 H new ATOM 0 HG23 THR A 987 -1.410 5.577 6.051 1.00 0.00 H new ATOM 462 N TYR A 988 -3.802 2.542 2.766 1.00 0.00 N ATOM 463 CA TYR A 988 -4.759 2.137 1.743 1.00 0.00 C ATOM 464 C TYR A 988 -6.186 2.433 2.190 1.00 0.00 C ATOM 465 O TYR A 988 -6.512 2.327 3.373 1.00 0.00 O ATOM 466 CB TYR A 988 -4.610 0.646 1.436 1.00 0.00 C ATOM 467 CG TYR A 988 -3.247 0.267 0.903 1.00 0.00 C ATOM 468 CD1 TYR A 988 -2.195 -0.004 1.768 1.00 0.00 C ATOM 469 CD2 TYR A 988 -3.014 0.179 -0.463 1.00 0.00 C ATOM 470 CE1 TYR A 988 -0.947 -0.352 1.286 1.00 0.00 C ATOM 471 CE2 TYR A 988 -1.770 -0.169 -0.953 1.00 0.00 C ATOM 472 CZ TYR A 988 -0.740 -0.433 -0.074 1.00 0.00 C ATOM 473 OH TYR A 988 0.500 -0.780 -0.558 1.00 0.00 O ATOM 0 H TYR A 988 -3.580 1.815 3.446 1.00 0.00 H new ATOM 0 HA TYR A 988 -4.551 2.710 0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -4.806 0.076 2.344 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -5.368 0.357 0.708 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -2.354 0.058 2.834 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -3.818 0.386 -1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -0.139 -0.559 1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -1.605 -0.234 -2.018 1.00 0.00 H new ATOM 0 HH TYR A 988 0.405 -1.500 -1.216 1.00 0.00 H new ATOM 483 N SER A 989 -7.035 2.795 1.234 1.00 0.00 N ATOM 484 CA SER A 989 -8.439 3.062 1.521 1.00 0.00 C ATOM 485 C SER A 989 -9.328 2.553 0.393 1.00 0.00 C ATOM 486 O SER A 989 -8.837 2.120 -0.651 1.00 0.00 O ATOM 487 CB SER A 989 -8.664 4.561 1.725 1.00 0.00 C ATOM 488 OG SER A 989 -9.998 4.828 2.122 1.00 0.00 O ATOM 0 H SER A 989 -6.775 2.910 0.254 1.00 0.00 H new ATOM 0 HA SER A 989 -8.704 2.534 2.437 1.00 0.00 H new ATOM 0 HB2 SER A 989 -7.974 4.936 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 989 -8.443 5.094 0.800 1.00 0.00 H new ATOM 0 HG SER A 989 -10.115 5.793 2.247 1.00 0.00 H new ATOM 494 N CYS A 990 -10.637 2.609 0.609 1.00 0.00 N ATOM 495 CA CYS A 990 -11.597 2.159 -0.391 1.00 0.00 C ATOM 496 C CYS A 990 -12.474 3.316 -0.859 1.00 0.00 C ATOM 497 O CYS A 990 -12.520 4.369 -0.223 1.00 0.00 O ATOM 498 CB CYS A 990 -12.469 1.039 0.178 1.00 0.00 C ATOM 499 SG CYS A 990 -13.540 0.231 -1.054 1.00 0.00 S ATOM 0 H CYS A 990 -11.058 2.962 1.468 1.00 0.00 H new ATOM 0 HA CYS A 990 -11.042 1.777 -1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -11.824 0.287 0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -13.092 1.447 0.974 1.00 0.00 H new ATOM 504 N THR A 991 -13.144 3.122 -1.991 1.00 0.00 N ATOM 505 CA THR A 991 -13.884 4.199 -2.638 1.00 0.00 C ATOM 506 C THR A 991 -15.144 4.558 -1.857 1.00 0.00 C ATOM 507 O THR A 991 -15.832 5.527 -2.180 1.00 0.00 O ATOM 508 CB THR A 991 -14.277 3.823 -4.079 1.00 0.00 C ATOM 509 OG1 THR A 991 -15.015 4.892 -4.683 1.00 0.00 O ATOM 510 CG2 THR A 991 -15.111 2.551 -4.099 1.00 0.00 C ATOM 0 H THR A 991 -13.189 2.228 -2.479 1.00 0.00 H new ATOM 0 HA THR A 991 -13.220 5.063 -2.661 1.00 0.00 H new ATOM 0 HB THR A 991 -13.362 3.649 -4.646 1.00 0.00 H new ATOM 0 HG1 THR A 991 -15.505 5.383 -3.991 1.00 0.00 H new ATOM 0 HG21 THR A 991 -15.376 2.306 -5.127 1.00 0.00 H new ATOM 0 HG22 THR A 991 -14.536 1.732 -3.668 1.00 0.00 H new ATOM 0 HG23 THR A 991 -16.020 2.702 -3.516 1.00 0.00 H new ATOM 518 N THR A 992 -15.442 3.772 -0.828 1.00 0.00 N ATOM 519 CA THR A 992 -16.620 4.005 -0.003 1.00 0.00 C ATOM 520 C THR A 992 -16.281 3.895 1.480 1.00 0.00 C ATOM 521 O THR A 992 -16.869 4.584 2.315 1.00 0.00 O ATOM 522 CB THR A 992 -17.740 3.003 -0.339 1.00 0.00 C ATOM 523 OG1 THR A 992 -18.096 3.113 -1.723 1.00 0.00 O ATOM 524 CG2 THR A 992 -18.969 3.246 0.525 1.00 0.00 C ATOM 0 H THR A 992 -14.883 2.967 -0.546 1.00 0.00 H new ATOM 0 HA THR A 992 -16.967 5.016 -0.218 1.00 0.00 H new ATOM 0 HB THR A 992 -17.368 1.999 -0.136 1.00 0.00 H new ATOM 0 HG1 THR A 992 -18.808 2.472 -1.930 1.00 0.00 H new ATOM 0 HG21 THR A 992 -19.744 2.524 0.266 1.00 0.00 H new ATOM 0 HG22 THR A 992 -18.703 3.132 1.576 1.00 0.00 H new ATOM 0 HG23 THR A 992 -19.341 4.256 0.352 1.00 0.00 H new ATOM 532 N GLY A 993 -15.335 3.018 1.802 1.00 0.00 N ATOM 533 CA GLY A 993 -14.976 2.787 3.188 1.00 0.00 C ATOM 534 C GLY A 993 -15.051 1.320 3.564 1.00 0.00 C ATOM 535 O GLY A 993 -15.021 0.971 4.745 1.00 0.00 O ATOM 0 H GLY A 993 -14.810 2.463 1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -13.965 3.154 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -15.641 3.360 3.834 1.00 0.00 H new ATOM 539 N HIS A 994 -15.150 0.461 2.555 1.00 0.00 N ATOM 540 CA HIS A 994 -15.243 -0.977 2.776 1.00 0.00 C ATOM 541 C HIS A 994 -13.989 -1.503 3.470 1.00 0.00 C ATOM 542 O HIS A 994 -12.894 -0.972 3.280 1.00 0.00 O ATOM 543 CB HIS A 994 -15.449 -1.700 1.443 1.00 0.00 C ATOM 544 CG HIS A 994 -16.631 -1.198 0.671 1.00 0.00 C ATOM 545 ND1 HIS A 994 -17.908 -1.165 1.189 1.00 0.00 N ATOM 546 CD2 HIS A 994 -16.725 -0.704 -0.587 1.00 0.00 C ATOM 547 CE1 HIS A 994 -18.736 -0.674 0.284 1.00 0.00 C ATOM 548 NE2 HIS A 994 -18.043 -0.386 -0.802 1.00 0.00 N ATOM 0 H HIS A 994 -15.168 0.737 1.573 1.00 0.00 H new ATOM 0 HA HIS A 994 -16.098 -1.170 3.423 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -14.552 -1.587 0.834 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -15.574 -2.766 1.632 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -15.914 -0.583 -1.290 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -19.799 -0.532 0.411 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -18.425 0.009 -1.661 1.00 0.00 H new ATOM 557 N ARG A 995 -14.161 -2.537 4.289 1.00 0.00 N ATOM 558 CA ARG A 995 -13.067 -3.071 5.094 1.00 0.00 C ATOM 559 C ARG A 995 -11.945 -3.607 4.209 1.00 0.00 C ATOM 560 O ARG A 995 -12.192 -4.119 3.118 1.00 0.00 O ATOM 561 CB ARG A 995 -13.581 -4.178 6.017 1.00 0.00 C ATOM 562 CG ARG A 995 -12.510 -4.759 6.928 1.00 0.00 C ATOM 563 CD ARG A 995 -13.094 -5.777 7.895 1.00 0.00 C ATOM 564 NE ARG A 995 -14.106 -5.184 8.766 1.00 0.00 N ATOM 565 CZ ARG A 995 -14.683 -5.833 9.773 1.00 0.00 C ATOM 566 NH1 ARG A 995 -14.348 -7.088 10.039 1.00 0.00 N ATOM 567 NH2 ARG A 995 -15.596 -5.224 10.517 1.00 0.00 N ATOM 0 H ARG A 995 -15.050 -3.022 4.413 1.00 0.00 H new ATOM 0 HA ARG A 995 -12.665 -2.259 5.700 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -14.391 -3.782 6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -14.003 -4.979 5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -11.735 -5.232 6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -12.032 -3.955 7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -13.536 -6.600 7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -12.294 -6.200 8.503 1.00 0.00 H new ATOM 0 HE ARG A 995 -14.385 -4.219 8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -13.645 -7.560 9.470 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -14.793 -7.582 10.813 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -15.855 -4.258 10.317 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -16.039 -5.721 11.290 1.00 0.00 H new ATOM 581 N LEU A 996 -10.710 -3.480 4.688 1.00 0.00 N ATOM 582 CA LEU A 996 -9.541 -3.904 3.924 1.00 0.00 C ATOM 583 C LEU A 996 -9.229 -5.374 4.178 1.00 0.00 C ATOM 584 O LEU A 996 -8.963 -5.774 5.311 1.00 0.00 O ATOM 585 CB LEU A 996 -8.326 -3.051 4.299 1.00 0.00 C ATOM 586 CG LEU A 996 -7.136 -3.162 3.353 1.00 0.00 C ATOM 587 CD1 LEU A 996 -7.277 -2.175 2.204 1.00 0.00 C ATOM 588 CD2 LEU A 996 -5.832 -2.935 4.102 1.00 0.00 C ATOM 0 H LEU A 996 -10.493 -3.086 5.604 1.00 0.00 H new ATOM 0 HA LEU A 996 -9.764 -3.772 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -8.636 -2.007 4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -8.001 -3.332 5.301 1.00 0.00 H new ATOM 0 HG LEU A 996 -7.118 -4.170 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -6.419 -2.267 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -8.191 -2.389 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -7.322 -1.160 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -4.995 -3.019 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -5.837 -1.940 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -5.729 -3.684 4.888 1.00 0.00 H new ATOM 600 N ILE A 997 -9.231 -6.171 3.113 1.00 0.00 N ATOM 601 CA ILE A 997 -8.751 -7.545 3.194 1.00 0.00 C ATOM 602 C ILE A 997 -7.227 -7.569 3.256 1.00 0.00 C ATOM 603 O ILE A 997 -6.553 -7.763 2.244 1.00 0.00 O ATOM 604 CB ILE A 997 -9.230 -8.395 1.995 1.00 0.00 C ATOM 605 CG1 ILE A 997 -10.760 -8.458 1.955 1.00 0.00 C ATOM 606 CG2 ILE A 997 -8.647 -9.799 2.070 1.00 0.00 C ATOM 607 CD1 ILE A 997 -11.410 -7.198 1.429 1.00 0.00 C ATOM 0 H ILE A 997 -9.558 -5.890 2.189 1.00 0.00 H new ATOM 0 HA ILE A 997 -9.165 -7.979 4.104 1.00 0.00 H new ATOM 0 HB ILE A 997 -8.879 -7.920 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -11.063 -9.299 1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -11.132 -8.655 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -8.995 -10.383 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -7.559 -9.743 2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -8.970 -10.278 2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -12.493 -7.319 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -11.138 -6.356 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -11.068 -7.010 0.411 1.00 0.00 H new ATOM 619 N GLY A 998 -6.692 -7.338 4.450 1.00 0.00 N ATOM 620 CA GLY A 998 -5.257 -7.198 4.607 1.00 0.00 C ATOM 621 C GLY A 998 -4.877 -6.621 5.954 1.00 0.00 C ATOM 622 O GLY A 998 -4.924 -7.314 6.970 1.00 0.00 O ATOM 0 H GLY A 998 -7.228 -7.245 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -4.784 -8.173 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -4.869 -6.555 3.817 1.00 0.00 H new ATOM 626 N HIS A 999 -4.498 -5.348 5.961 1.00 0.00 N ATOM 627 CA HIS A 999 -4.080 -4.683 7.184 1.00 0.00 C ATOM 628 C HIS A 999 -4.720 -3.302 7.306 1.00 0.00 C ATOM 629 O HIS A 999 -5.816 -3.164 7.851 1.00 0.00 O ATOM 630 CB HIS A 999 -2.559 -4.563 7.219 1.00 0.00 C ATOM 631 CG HIS A 999 -1.899 -5.547 8.134 1.00 0.00 C ATOM 632 ND1 HIS A 999 -1.482 -5.228 9.409 1.00 0.00 N ATOM 633 CD2 HIS A 999 -1.584 -6.852 7.953 1.00 0.00 C ATOM 634 CE1 HIS A 999 -0.938 -6.293 9.972 1.00 0.00 C ATOM 635 NE2 HIS A 999 -0.989 -7.291 9.110 1.00 0.00 N ATOM 0 H HIS A 999 -4.473 -4.757 5.130 1.00 0.00 H new ATOM 0 HA HIS A 999 -4.412 -5.285 8.030 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -2.169 -4.700 6.210 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -2.290 -3.554 7.530 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -1.767 -7.438 7.064 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -0.523 -6.339 10.968 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -0.642 -8.236 9.276 1.00 0.00 H new ATOM 644 N SER A1000 -4.028 -2.284 6.794 1.00 0.00 N ATOM 645 CA SER A1000 -4.506 -0.907 6.875 1.00 0.00 C ATOM 646 C SER A1000 -3.491 0.057 6.269 1.00 0.00 C ATOM 647 O SER A1000 -3.860 1.061 5.659 1.00 0.00 O ATOM 648 CB SER A1000 -4.777 -0.518 8.331 1.00 0.00 C ATOM 649 OG SER A1000 -5.239 0.818 8.426 1.00 0.00 O ATOM 0 H SER A1000 -3.132 -2.389 6.318 1.00 0.00 H new ATOM 0 HA SER A1000 -5.435 -0.842 6.308 1.00 0.00 H new ATOM 0 HB2 SER A1000 -5.518 -1.193 8.759 1.00 0.00 H new ATOM 0 HB3 SER A1000 -3.865 -0.633 8.917 1.00 0.00 H new ATOM 0 HG SER A1000 -5.406 1.040 9.366 1.00 0.00 H new ATOM 655 N SER A1001 -2.210 -0.247 6.456 1.00 0.00 N ATOM 656 CA SER A1001 -1.139 0.644 6.022 1.00 0.00 C ATOM 657 C SER A1001 0.122 -0.145 5.679 1.00 0.00 C ATOM 658 O SER A1001 0.301 -1.274 6.133 1.00 0.00 O ATOM 659 CB SER A1001 -0.830 1.670 7.114 1.00 0.00 C ATOM 660 OG SER A1001 0.234 2.522 6.729 1.00 0.00 O ATOM 0 H SER A1001 -1.888 -1.104 6.906 1.00 0.00 H new ATOM 0 HA SER A1001 -1.474 1.165 5.125 1.00 0.00 H new ATOM 0 HB2 SER A1001 -1.720 2.265 7.320 1.00 0.00 H new ATOM 0 HB3 SER A1001 -0.570 1.154 8.038 1.00 0.00 H new ATOM 0 HG SER A1001 0.125 2.777 5.789 1.00 0.00 H new ATOM 666 N ALA A1002 0.986 0.457 4.868 1.00 0.00 N ATOM 667 CA ALA A1002 2.190 -0.218 4.393 1.00 0.00 C ATOM 668 C ALA A1002 3.449 0.521 4.830 1.00 0.00 C ATOM 669 O ALA A1002 3.396 1.690 5.213 1.00 0.00 O ATOM 670 CB ALA A1002 2.158 -0.351 2.877 1.00 0.00 C ATOM 0 H ALA A1002 0.875 1.411 4.526 1.00 0.00 H new ATOM 0 HA ALA A1002 2.213 -1.213 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A1002 3.062 -0.856 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A1002 1.285 -0.932 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A1002 2.105 0.640 2.426 1.00 0.00 H new ATOM 676 N GLU A1003 4.585 -0.166 4.753 1.00 0.00 N ATOM 677 CA GLU A1003 5.875 0.444 5.051 1.00 0.00 C ATOM 678 C GLU A1003 6.912 0.051 4.004 1.00 0.00 C ATOM 679 O GLU A1003 7.141 -1.133 3.759 1.00 0.00 O ATOM 680 CB GLU A1003 6.353 0.027 6.443 1.00 0.00 C ATOM 681 CG GLU A1003 7.675 0.659 6.849 1.00 0.00 C ATOM 682 CD GLU A1003 8.140 0.211 8.220 1.00 0.00 C ATOM 683 OE1 GLU A1003 8.863 -0.804 8.299 1.00 0.00 O ATOM 684 OE2 GLU A1003 7.781 0.876 9.216 1.00 0.00 O ATOM 0 H GLU A1003 4.637 -1.149 4.486 1.00 0.00 H new ATOM 0 HA GLU A1003 5.752 1.527 5.029 1.00 0.00 H new ATOM 0 HB2 GLU A1003 5.592 0.296 7.175 1.00 0.00 H new ATOM 0 HB3 GLU A1003 6.454 -1.058 6.473 1.00 0.00 H new ATOM 0 HG2 GLU A1003 8.436 0.406 6.111 1.00 0.00 H new ATOM 0 HG3 GLU A1003 7.572 1.744 6.841 1.00 0.00 H new ATOM 691 N CYS A1004 7.524 1.052 3.380 1.00 0.00 N ATOM 692 CA CYS A1004 8.481 0.813 2.305 1.00 0.00 C ATOM 693 C CYS A1004 9.672 0.000 2.807 1.00 0.00 C ATOM 694 O CYS A1004 10.527 0.513 3.528 1.00 0.00 O ATOM 695 CB CYS A1004 8.965 2.142 1.721 1.00 0.00 C ATOM 696 SG CYS A1004 10.001 1.965 0.234 1.00 0.00 S ATOM 0 H CYS A1004 7.375 2.037 3.600 1.00 0.00 H new ATOM 0 HA CYS A1004 7.978 0.242 1.524 1.00 0.00 H new ATOM 0 HB2 CYS A1004 8.099 2.756 1.476 1.00 0.00 H new ATOM 0 HB3 CYS A1004 9.531 2.678 2.484 1.00 0.00 H new ATOM 701 N ILE A1005 9.718 -1.272 2.419 1.00 0.00 N ATOM 702 CA ILE A1005 10.793 -2.162 2.842 1.00 0.00 C ATOM 703 C ILE A1005 11.468 -2.821 1.642 1.00 0.00 C ATOM 704 O ILE A1005 10.816 -3.140 0.648 1.00 0.00 O ATOM 705 CB ILE A1005 10.272 -3.261 3.788 1.00 0.00 C ATOM 706 CG1 ILE A1005 9.202 -4.104 3.090 1.00 0.00 C ATOM 707 CG2 ILE A1005 9.720 -2.641 5.064 1.00 0.00 C ATOM 708 CD1 ILE A1005 8.753 -5.305 3.894 1.00 0.00 C ATOM 0 H ILE A1005 9.023 -1.708 1.813 1.00 0.00 H new ATOM 0 HA ILE A1005 11.520 -1.548 3.373 1.00 0.00 H new ATOM 0 HB ILE A1005 11.102 -3.915 4.054 1.00 0.00 H new ATOM 0 HG12 ILE A1005 8.337 -3.475 2.879 1.00 0.00 H new ATOM 0 HG13 ILE A1005 9.590 -4.445 2.130 1.00 0.00 H new ATOM 0 HG21 ILE A1005 9.355 -3.429 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A1005 10.509 -2.082 5.568 1.00 0.00 H new ATOM 0 HG23 ILE A1005 8.900 -1.967 4.816 1.00 0.00 H new ATOM 0 HD11 ILE A1005 7.994 -5.854 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A1005 9.606 -5.956 4.083 1.00 0.00 H new ATOM 0 HD13 ILE A1005 8.334 -4.971 4.843 1.00 0.00 H new ATOM 720 N LEU A1006 12.777 -3.029 1.747 1.00 0.00 N ATOM 721 CA LEU A1006 13.530 -3.711 0.701 1.00 0.00 C ATOM 722 C LEU A1006 13.331 -5.222 0.782 1.00 0.00 C ATOM 723 O LEU A1006 13.544 -5.831 1.830 1.00 0.00 O ATOM 724 CB LEU A1006 15.020 -3.378 0.814 1.00 0.00 C ATOM 725 CG LEU A1006 15.395 -1.946 0.424 1.00 0.00 C ATOM 726 CD1 LEU A1006 16.809 -1.623 0.883 1.00 0.00 C ATOM 727 CD2 LEU A1006 15.260 -1.750 -1.078 1.00 0.00 C ATOM 0 H LEU A1006 13.338 -2.735 2.546 1.00 0.00 H new ATOM 0 HA LEU A1006 13.157 -3.363 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A1006 15.339 -3.554 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A1006 15.580 -4.069 0.183 1.00 0.00 H new ATOM 0 HG LEU A1006 14.708 -1.261 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A1006 17.060 -0.601 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A1006 16.872 -1.723 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A1006 17.510 -2.313 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A1006 15.531 -0.726 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A1006 15.923 -2.443 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A1006 14.230 -1.940 -1.379 1.00 0.00 H new ATOM 739 N SER A1007 12.921 -5.820 -0.333 1.00 0.00 N ATOM 740 CA SER A1007 12.702 -7.260 -0.393 1.00 0.00 C ATOM 741 C SER A1007 13.627 -7.908 -1.417 1.00 0.00 C ATOM 742 O SER A1007 13.360 -9.009 -1.901 1.00 0.00 O ATOM 743 CB SER A1007 11.243 -7.560 -0.743 1.00 0.00 C ATOM 744 OG SER A1007 10.363 -7.013 0.224 1.00 0.00 O ATOM 0 H SER A1007 12.734 -5.329 -1.207 1.00 0.00 H new ATOM 0 HA SER A1007 12.926 -7.679 0.588 1.00 0.00 H new ATOM 0 HB2 SER A1007 11.010 -7.149 -1.725 1.00 0.00 H new ATOM 0 HB3 SER A1007 11.095 -8.638 -0.805 1.00 0.00 H new ATOM 0 HG SER A1007 9.437 -7.217 -0.024 1.00 0.00 H new ATOM 750 N GLY A1008 14.715 -7.218 -1.744 1.00 0.00 N ATOM 751 CA GLY A1008 15.662 -7.738 -2.714 1.00 0.00 C ATOM 752 C GLY A1008 16.373 -6.637 -3.476 1.00 0.00 C ATOM 753 O GLY A1008 17.174 -5.896 -2.906 1.00 0.00 O ATOM 0 H GLY A1008 14.958 -6.307 -1.354 1.00 0.00 H new ATOM 0 HA2 GLY A1008 16.399 -8.356 -2.202 1.00 0.00 H new ATOM 0 HA3 GLY A1008 15.138 -8.384 -3.419 1.00 0.00 H new ATOM 757 N ASN A1009 16.075 -6.527 -4.767 1.00 0.00 N ATOM 758 CA ASN A1009 16.667 -5.490 -5.604 1.00 0.00 C ATOM 759 C ASN A1009 15.734 -4.290 -5.724 1.00 0.00 C ATOM 760 O ASN A1009 16.063 -3.298 -6.373 1.00 0.00 O ATOM 761 CB ASN A1009 16.985 -6.044 -6.995 1.00 0.00 C ATOM 762 CG ASN A1009 18.004 -7.167 -6.952 1.00 0.00 C ATOM 763 OD1 ASN A1009 18.084 -7.914 -5.977 1.00 0.00 O ATOM 764 ND2 ASN A1009 18.790 -7.292 -8.016 1.00 0.00 N ATOM 0 H ASN A1009 15.427 -7.144 -5.256 1.00 0.00 H new ATOM 0 HA ASN A1009 17.593 -5.163 -5.131 1.00 0.00 H new ATOM 0 HB2 ASN A1009 16.067 -6.408 -7.457 1.00 0.00 H new ATOM 0 HB3 ASN A1009 17.362 -5.239 -7.626 1.00 0.00 H new ATOM 0 HD21 ASN A1009 19.494 -8.029 -8.046 1.00 0.00 H new ATOM 0 HD22 ASN A1009 18.689 -6.650 -8.803 1.00 0.00 H new ATOM 771 N THR A1010 14.567 -4.391 -5.094 1.00 0.00 N ATOM 772 CA THR A1010 13.582 -3.316 -5.130 1.00 0.00 C ATOM 773 C THR A1010 12.731 -3.309 -3.865 1.00 0.00 C ATOM 774 O THR A1010 12.304 -4.360 -3.386 1.00 0.00 O ATOM 775 CB THR A1010 12.658 -3.443 -6.357 1.00 0.00 C ATOM 776 OG1 THR A1010 13.438 -3.454 -7.559 1.00 0.00 O ATOM 777 CG2 THR A1010 11.661 -2.294 -6.407 1.00 0.00 C ATOM 0 H THR A1010 14.281 -5.207 -4.553 1.00 0.00 H new ATOM 0 HA THR A1010 14.136 -2.380 -5.197 1.00 0.00 H new ATOM 0 HB THR A1010 12.106 -4.379 -6.272 1.00 0.00 H new ATOM 0 HG1 THR A1010 12.844 -3.537 -8.334 1.00 0.00 H new ATOM 0 HG21 THR A1010 11.020 -2.406 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A1010 11.049 -2.304 -5.505 1.00 0.00 H new ATOM 0 HG23 THR A1010 12.199 -1.348 -6.470 1.00 0.00 H new ATOM 785 N ALA A1011 12.488 -2.118 -3.328 1.00 0.00 N ATOM 786 CA ALA A1011 11.675 -1.971 -2.126 1.00 0.00 C ATOM 787 C ALA A1011 10.187 -2.024 -2.458 1.00 0.00 C ATOM 788 O ALA A1011 9.700 -1.267 -3.297 1.00 0.00 O ATOM 789 CB ALA A1011 12.012 -0.668 -1.418 1.00 0.00 C ATOM 0 H ALA A1011 12.843 -1.240 -3.707 1.00 0.00 H new ATOM 0 HA ALA A1011 11.902 -2.804 -1.461 1.00 0.00 H new ATOM 0 HB1 ALA A1011 11.398 -0.571 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A1011 13.065 -0.668 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A1011 11.815 0.171 -2.086 1.00 0.00 H new ATOM 795 N HIS A1012 9.469 -2.916 -1.783 1.00 0.00 N ATOM 796 CA HIS A1012 8.025 -3.026 -1.954 1.00 0.00 C ATOM 797 C HIS A1012 7.302 -2.749 -0.641 1.00 0.00 C ATOM 798 O HIS A1012 7.924 -2.680 0.420 1.00 0.00 O ATOM 799 CB HIS A1012 7.653 -4.418 -2.469 1.00 0.00 C ATOM 800 CG HIS A1012 8.221 -4.728 -3.819 1.00 0.00 C ATOM 801 ND1 HIS A1012 7.522 -4.535 -4.992 1.00 0.00 N ATOM 802 CD2 HIS A1012 9.428 -5.226 -4.181 1.00 0.00 C ATOM 803 CE1 HIS A1012 8.274 -4.899 -6.017 1.00 0.00 C ATOM 804 NE2 HIS A1012 9.435 -5.322 -5.551 1.00 0.00 N ATOM 0 H HIS A1012 9.865 -3.574 -1.112 1.00 0.00 H new ATOM 0 HA HIS A1012 7.714 -2.281 -2.687 1.00 0.00 H new ATOM 0 HB2 HIS A1012 8.002 -5.165 -1.757 1.00 0.00 H new ATOM 0 HB3 HIS A1012 6.567 -4.502 -2.513 1.00 0.00 H new ATOM 0 HD2 HIS A1012 10.235 -5.497 -3.516 1.00 0.00 H new ATOM 0 HE1 HIS A1012 7.988 -4.857 -7.058 1.00 0.00 H new ATOM 0 HE2 HIS A1012 10.211 -5.665 -6.117 1.00 0.00 H new ATOM 813 N TRP A1013 5.985 -2.585 -0.718 1.00 0.00 N ATOM 814 CA TRP A1013 5.182 -2.284 0.460 1.00 0.00 C ATOM 815 C TRP A1013 4.752 -3.566 1.168 1.00 0.00 C ATOM 816 O TRP A1013 4.425 -4.563 0.525 1.00 0.00 O ATOM 817 CB TRP A1013 3.954 -1.464 0.063 1.00 0.00 C ATOM 818 CG TRP A1013 4.301 -0.172 -0.614 1.00 0.00 C ATOM 819 CD1 TRP A1013 4.344 0.062 -1.958 1.00 0.00 C ATOM 820 CD2 TRP A1013 4.659 1.061 0.020 1.00 0.00 C ATOM 821 NE1 TRP A1013 4.706 1.366 -2.199 1.00 0.00 N ATOM 822 CE2 TRP A1013 4.904 2.000 -1.000 1.00 0.00 C ATOM 823 CE3 TRP A1013 4.795 1.464 1.352 1.00 0.00 C ATOM 824 CZ2 TRP A1013 5.277 3.314 -0.730 1.00 0.00 C ATOM 825 CZ3 TRP A1013 5.165 2.769 1.618 1.00 0.00 C ATOM 826 CH2 TRP A1013 5.401 3.680 0.582 1.00 0.00 C ATOM 0 H TRP A1013 5.452 -2.656 -1.585 1.00 0.00 H new ATOM 0 HA TRP A1013 5.792 -1.701 1.150 1.00 0.00 H new ATOM 0 HB2 TRP A1013 3.327 -2.058 -0.602 1.00 0.00 H new ATOM 0 HB3 TRP A1013 3.363 -1.253 0.954 1.00 0.00 H new ATOM 0 HD1 TRP A1013 4.125 -0.671 -2.721 1.00 0.00 H new ATOM 0 HE1 TRP A1013 4.810 1.792 -3.120 1.00 0.00 H new ATOM 0 HE3 TRP A1013 4.614 0.768 2.158 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 5.462 4.019 -1.527 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 5.274 3.091 2.643 1.00 0.00 H new ATOM 0 HH2 TRP A1013 5.687 4.693 0.824 1.00 0.00 H new ATOM 837 N SER A1014 4.785 -3.539 2.497 1.00 0.00 N ATOM 838 CA SER A1014 4.569 -4.743 3.295 1.00 0.00 C ATOM 839 C SER A1014 3.085 -4.960 3.582 1.00 0.00 C ATOM 840 O SER A1014 2.704 -5.290 4.705 1.00 0.00 O ATOM 841 CB SER A1014 5.345 -4.650 4.610 1.00 0.00 C ATOM 842 OG SER A1014 4.924 -3.533 5.374 1.00 0.00 O ATOM 0 H SER A1014 4.959 -2.696 3.045 1.00 0.00 H new ATOM 0 HA SER A1014 4.932 -5.595 2.720 1.00 0.00 H new ATOM 0 HB2 SER A1014 5.200 -5.564 5.186 1.00 0.00 H new ATOM 0 HB3 SER A1014 6.412 -4.570 4.401 1.00 0.00 H new ATOM 0 HG SER A1014 5.434 -3.497 6.210 1.00 0.00 H new ATOM 848 N THR A1015 2.254 -4.789 2.560 1.00 0.00 N ATOM 849 CA THR A1015 0.825 -5.055 2.687 1.00 0.00 C ATOM 850 C THR A1015 0.376 -6.166 1.745 1.00 0.00 C ATOM 851 O THR A1015 0.672 -6.140 0.551 1.00 0.00 O ATOM 852 CB THR A1015 -0.012 -3.795 2.403 1.00 0.00 C ATOM 853 OG1 THR A1015 0.482 -3.131 1.234 1.00 0.00 O ATOM 854 CG2 THR A1015 0.019 -2.845 3.589 1.00 0.00 C ATOM 0 H THR A1015 2.544 -4.468 1.636 1.00 0.00 H new ATOM 0 HA THR A1015 0.662 -5.370 3.718 1.00 0.00 H new ATOM 0 HB THR A1015 -1.044 -4.102 2.234 1.00 0.00 H new ATOM 0 HG1 THR A1015 0.044 -2.259 1.143 1.00 0.00 H new ATOM 0 HG21 THR A1015 -0.580 -1.962 3.364 1.00 0.00 H new ATOM 0 HG22 THR A1015 -0.389 -3.346 4.467 1.00 0.00 H new ATOM 0 HG23 THR A1015 1.048 -2.545 3.788 1.00 0.00 H new ATOM 862 N LYS A1016 -0.371 -7.121 2.289 1.00 0.00 N ATOM 863 CA LYS A1016 -1.031 -8.136 1.477 1.00 0.00 C ATOM 864 C LYS A1016 -2.005 -7.486 0.496 1.00 0.00 C ATOM 865 O LYS A1016 -2.441 -6.356 0.710 1.00 0.00 O ATOM 866 CB LYS A1016 -1.776 -9.119 2.381 1.00 0.00 C ATOM 867 CG LYS A1016 -0.882 -9.791 3.410 1.00 0.00 C ATOM 868 CD LYS A1016 -1.694 -10.371 4.555 1.00 0.00 C ATOM 869 CE LYS A1016 -0.805 -11.078 5.566 1.00 0.00 C ATOM 870 NZ LYS A1016 -1.590 -11.636 6.701 1.00 0.00 N ATOM 0 H LYS A1016 -0.535 -7.213 3.292 1.00 0.00 H new ATOM 0 HA LYS A1016 -0.274 -8.675 0.907 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -2.577 -8.590 2.897 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -2.245 -9.885 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -0.307 -10.584 2.932 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -0.166 -9.068 3.800 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -2.248 -9.573 5.051 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -2.430 -11.073 4.162 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -0.261 -11.882 5.071 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -0.062 -10.378 5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -0.948 -12.110 7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -2.090 -10.866 7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -2.282 -12.323 6.340 1.00 0.00 H new ATOM 884 N PRO A1017 -2.354 -8.191 -0.597 1.00 0.00 N ATOM 885 CA PRO A1017 -3.262 -7.668 -1.624 1.00 0.00 C ATOM 886 C PRO A1017 -4.543 -7.091 -1.026 1.00 0.00 C ATOM 887 O PRO A1017 -5.427 -7.835 -0.600 1.00 0.00 O ATOM 888 CB PRO A1017 -3.580 -8.892 -2.499 1.00 0.00 C ATOM 889 CG PRO A1017 -3.027 -10.072 -1.765 1.00 0.00 C ATOM 890 CD PRO A1017 -1.902 -9.549 -0.922 1.00 0.00 C ATOM 0 HA PRO A1017 -2.809 -6.846 -2.179 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -4.654 -8.995 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -3.125 -8.797 -3.485 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -3.793 -10.540 -1.146 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -2.672 -10.832 -2.461 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -1.752 -10.152 -0.026 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -0.957 -9.543 -1.465 1.00 0.00 H new ATOM 898 N PRO A1018 -4.651 -5.750 -0.973 1.00 0.00 N ATOM 899 CA PRO A1018 -5.784 -5.073 -0.341 1.00 0.00 C ATOM 900 C PRO A1018 -7.020 -5.047 -1.234 1.00 0.00 C ATOM 901 O PRO A1018 -6.919 -4.836 -2.444 1.00 0.00 O ATOM 902 CB PRO A1018 -5.256 -3.659 -0.114 1.00 0.00 C ATOM 903 CG PRO A1018 -4.275 -3.444 -1.215 1.00 0.00 C ATOM 904 CD PRO A1018 -3.667 -4.790 -1.513 1.00 0.00 C ATOM 0 HA PRO A1018 -6.109 -5.577 0.569 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -6.061 -2.925 -0.151 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -4.782 -3.565 0.863 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -4.766 -3.036 -2.098 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -3.508 -2.729 -0.917 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -3.515 -4.932 -2.583 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -2.694 -4.904 -1.035 1.00 0.00 H new ATOM 912 N ILE A1019 -8.185 -5.272 -0.633 1.00 0.00 N ATOM 913 CA ILE A1019 -9.437 -5.328 -1.381 1.00 0.00 C ATOM 914 C ILE A1019 -10.568 -4.670 -0.593 1.00 0.00 C ATOM 915 O ILE A1019 -10.432 -4.408 0.602 1.00 0.00 O ATOM 916 CB ILE A1019 -9.835 -6.785 -1.707 1.00 0.00 C ATOM 917 CG1 ILE A1019 -8.616 -7.584 -2.177 1.00 0.00 C ATOM 918 CG2 ILE A1019 -10.927 -6.813 -2.768 1.00 0.00 C ATOM 919 CD1 ILE A1019 -8.899 -9.055 -2.393 1.00 0.00 C ATOM 0 H ILE A1019 -8.288 -5.419 0.371 1.00 0.00 H new ATOM 0 HA ILE A1019 -9.277 -4.787 -2.314 1.00 0.00 H new ATOM 0 HB ILE A1019 -10.221 -7.247 -0.798 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -8.247 -7.153 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -7.819 -7.481 -1.441 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -11.196 -7.847 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -11.804 -6.279 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -10.564 -6.333 -3.677 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -7.989 -9.556 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -9.238 -9.501 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -9.673 -9.169 -3.152 1.00 0.00 H new ATOM 931 N CYS A1020 -11.686 -4.415 -1.267 1.00 0.00 N ATOM 932 CA CYS A1020 -12.870 -3.873 -0.610 1.00 0.00 C ATOM 933 C CYS A1020 -13.892 -4.974 -0.341 1.00 0.00 C ATOM 934 O CYS A1020 -14.580 -5.433 -1.253 1.00 0.00 O ATOM 935 CB CYS A1020 -13.498 -2.772 -1.468 1.00 0.00 C ATOM 936 SG CYS A1020 -12.423 -1.325 -1.725 1.00 0.00 S ATOM 0 H CYS A1020 -11.796 -4.575 -2.268 1.00 0.00 H new ATOM 0 HA CYS A1020 -12.563 -3.446 0.345 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -13.764 -3.190 -2.439 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -14.425 -2.444 -0.997 1.00 0.00 H new ATOM 941 N GLN A1021 -13.975 -5.402 0.916 1.00 0.00 N ATOM 942 CA GLN A1021 -14.854 -6.504 1.297 1.00 0.00 C ATOM 943 C GLN A1021 -16.321 -6.129 1.100 1.00 0.00 C ATOM 944 O GLN A1021 -17.187 -6.999 1.014 1.00 0.00 O ATOM 945 CB GLN A1021 -14.607 -6.895 2.756 1.00 0.00 C ATOM 946 CG GLN A1021 -15.428 -8.089 3.218 1.00 0.00 C ATOM 947 CD GLN A1021 -15.167 -8.450 4.667 1.00 0.00 C ATOM 948 OE1 GLN A1021 -14.068 -8.243 5.182 1.00 0.00 O ATOM 949 NE2 GLN A1021 -16.180 -8.993 5.333 1.00 0.00 N ATOM 0 H GLN A1021 -13.443 -5.002 1.689 1.00 0.00 H new ATOM 0 HA GLN A1021 -14.629 -7.355 0.654 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -13.549 -7.120 2.888 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -14.833 -6.041 3.395 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -16.488 -7.869 3.087 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -15.200 -8.948 2.587 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -17.074 -9.146 4.866 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -16.064 -9.257 6.312 1.00 0.00 H new ATOM 958 N ARG A1022 -16.588 -4.827 1.038 1.00 0.00 N ATOM 959 CA ARG A1022 -17.953 -4.321 0.912 1.00 0.00 C ATOM 960 C ARG A1022 -18.783 -4.674 2.142 1.00 0.00 C ATOM 961 O ARG A1022 -19.063 -5.845 2.403 1.00 0.00 O ATOM 962 CB ARG A1022 -18.622 -4.876 -0.349 1.00 0.00 C ATOM 963 CG ARG A1022 -20.040 -4.369 -0.555 1.00 0.00 C ATOM 964 CD ARG A1022 -20.626 -4.867 -1.865 1.00 0.00 C ATOM 965 NE ARG A1022 -20.681 -6.325 -1.922 1.00 0.00 N ATOM 966 CZ ARG A1022 -21.176 -7.004 -2.954 1.00 0.00 C ATOM 967 NH1 ARG A1022 -21.653 -6.357 -4.010 1.00 0.00 N ATOM 968 NH2 ARG A1022 -21.193 -8.329 -2.929 1.00 0.00 N ATOM 0 H ARG A1022 -15.874 -4.100 1.073 1.00 0.00 H new ATOM 0 HA ARG A1022 -17.899 -3.235 0.832 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -18.020 -4.610 -1.218 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -18.638 -5.964 -0.293 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -20.668 -4.697 0.273 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -20.043 -3.279 -0.545 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -21.630 -4.461 -1.990 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -20.026 -4.494 -2.695 1.00 0.00 H new ATOM 0 HE ARG A1022 -20.320 -6.852 -1.127 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -21.641 -5.337 -4.032 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -22.032 -6.879 -4.800 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -20.827 -8.829 -2.119 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -21.572 -8.849 -3.720 1.00 0.00 H new ATOM 982 N ILE A1023 -19.174 -3.650 2.894 1.00 0.00 N ATOM 983 CA ILE A1023 -19.967 -3.846 4.103 1.00 0.00 C ATOM 984 C ILE A1023 -21.444 -3.553 3.844 1.00 0.00 C ATOM 985 O ILE A1023 -21.811 -2.422 3.524 1.00 0.00 O ATOM 986 CB ILE A1023 -19.469 -2.947 5.251 1.00 0.00 C ATOM 987 CG1 ILE A1023 -17.982 -3.201 5.517 1.00 0.00 C ATOM 988 CG2 ILE A1023 -20.288 -3.191 6.510 1.00 0.00 C ATOM 989 CD1 ILE A1023 -17.374 -2.251 6.527 1.00 0.00 C ATOM 0 H ILE A1023 -18.955 -2.676 2.688 1.00 0.00 H new ATOM 0 HA ILE A1023 -19.852 -4.890 4.394 1.00 0.00 H new ATOM 0 HB ILE A1023 -19.594 -1.905 4.958 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -17.855 -4.224 5.871 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -17.435 -3.118 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -19.924 -2.548 7.311 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -21.336 -2.965 6.312 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -20.192 -4.235 6.810 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -16.320 -2.491 6.664 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -17.469 -1.227 6.166 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -17.895 -2.350 7.479 1.00 0.00 H new ATOM 1001 N PRO A1024 -22.313 -4.570 3.985 1.00 0.00 N ATOM 1002 CA PRO A1024 -23.757 -4.411 3.769 1.00 0.00 C ATOM 1003 C PRO A1024 -24.410 -3.550 4.845 1.00 0.00 C ATOM 1004 O PRO A1024 -24.505 -2.321 4.641 1.00 0.00 O ATOM 1005 CB PRO A1024 -24.289 -5.845 3.833 1.00 0.00 C ATOM 1006 CG PRO A1024 -23.294 -6.581 4.661 1.00 0.00 C ATOM 1007 CD PRO A1024 -21.961 -5.952 4.362 1.00 0.00 C ATOM 1008 OXT PRO A1024 -24.822 -4.110 5.883 1.00 0.00 O ATOM 0 HA PRO A1024 -23.975 -3.906 2.828 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -25.281 -5.879 4.283 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -24.375 -6.280 2.837 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -23.534 -6.502 5.721 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -23.289 -7.643 4.414 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -21.301 -5.976 5.229 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -21.444 -6.470 3.554 1.00 0.00 H new