USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=21 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 -128:sc= 0.26 USER MOD Set 1.2: A1012 HIS : no HE2:sc= 0.0949 K(o=0.35,f=-0.24) USER MOD Single : A 962 SER OG : rot -32:sc= 0.0599 USER MOD Single : A 964 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 THR OG1 : rot 30:sc= 0.0797 USER MOD Single : A 971 ASN :FLIP amide:sc= -0.66 F(o=-2,f=-0.66) USER MOD Single : A 973 MET CE :methyl -161:sc= -0.141 (180deg=-0.711) USER MOD Single : A 975 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 978 THR OG1 : rot -21:sc= 0.486 USER MOD Single : A 981 GLN :FLIP amide:sc= -5.28! C(o=-6.8!,f=-5.3!) USER MOD Single : A 984 SER OG : rot 92:sc= 1.16 USER MOD Single : A 987 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 TYR OH : rot 100:sc= -2.54! USER MOD Single : A 989 SER OG : rot 180:sc= -0.261 USER MOD Single : A 991 THR OG1 : rot -20:sc= 0.788 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 994 HIS : no HD1:sc= -4.23! C(o=-4.2!,f=-5.1!) USER MOD Single : A 999 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-4!) USER MOD Single : A1000 SER OG : rot 180:sc= 0 USER MOD Single : A1001 SER OG : rot 180:sc= -0.019 USER MOD Single : A1009 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1014 SER OG : rot 180:sc= 0 USER MOD Single : A1015 THR OG1 : rot 180:sc= 0 USER MOD Single : A1016 LYS NZ :NH3+ -166:sc= -0.0418 (180deg=-0.251) USER MOD Single : A1021 GLN :FLIP amide:sc= -0.0623 F(o=-2.1!,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 962 12.899 4.589 -4.239 1.00 0.00 N ATOM 76 CA SER A 962 12.866 3.517 -5.230 1.00 0.00 C ATOM 77 C SER A 962 11.888 2.419 -4.818 1.00 0.00 C ATOM 78 O SER A 962 12.084 1.248 -5.144 1.00 0.00 O ATOM 79 CB SER A 962 14.263 2.921 -5.418 1.00 0.00 C ATOM 80 OG SER A 962 14.756 2.382 -4.204 1.00 0.00 O ATOM 0 HA SER A 962 12.529 3.945 -6.174 1.00 0.00 H new ATOM 0 HB2 SER A 962 14.229 2.141 -6.179 1.00 0.00 H new ATOM 0 HB3 SER A 962 14.944 3.691 -5.781 1.00 0.00 H new ATOM 0 HG SER A 962 14.408 2.902 -3.450 1.00 0.00 H new ATOM 86 N CYS A 963 10.836 2.802 -4.101 1.00 0.00 N ATOM 87 CA CYS A 963 9.838 1.843 -3.644 1.00 0.00 C ATOM 88 C CYS A 963 8.869 1.491 -4.768 1.00 0.00 C ATOM 89 O CYS A 963 8.266 2.373 -5.381 1.00 0.00 O ATOM 90 CB CYS A 963 9.069 2.405 -2.448 1.00 0.00 C ATOM 91 SG CYS A 963 10.127 2.873 -1.039 1.00 0.00 S ATOM 0 H CYS A 963 10.653 3.767 -3.825 1.00 0.00 H new ATOM 0 HA CYS A 963 10.356 0.935 -3.337 1.00 0.00 H new ATOM 0 HB2 CYS A 963 8.504 3.279 -2.771 1.00 0.00 H new ATOM 0 HB3 CYS A 963 8.344 1.663 -2.114 1.00 0.00 H new ATOM 96 N LYS A 964 8.730 0.196 -5.037 1.00 0.00 N ATOM 97 CA LYS A 964 7.858 -0.274 -6.108 1.00 0.00 C ATOM 98 C LYS A 964 6.399 0.040 -5.797 1.00 0.00 C ATOM 99 O LYS A 964 5.720 -0.727 -5.112 1.00 0.00 O ATOM 100 CB LYS A 964 8.036 -1.780 -6.315 1.00 0.00 C ATOM 101 CG LYS A 964 7.184 -2.345 -7.441 1.00 0.00 C ATOM 102 CD LYS A 964 7.362 -3.850 -7.577 1.00 0.00 C ATOM 103 CE LYS A 964 6.837 -4.589 -6.355 1.00 0.00 C ATOM 104 NZ LYS A 964 6.999 -6.063 -6.485 1.00 0.00 N ATOM 0 H LYS A 964 9.210 -0.546 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 964 8.135 0.246 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 964 9.085 -1.988 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 964 7.788 -2.297 -5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 964 6.135 -2.118 -7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 964 7.452 -1.860 -8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 964 6.839 -4.200 -8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 964 8.418 -4.081 -7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 964 7.365 -4.243 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 964 5.783 -4.351 -6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 6.629 -6.529 -5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 6.474 -6.398 -7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 8.007 -6.293 -6.596 1.00 0.00 H new ATOM 118 N THR A 965 5.923 1.175 -6.299 1.00 0.00 N ATOM 119 CA THR A 965 4.559 1.616 -6.035 1.00 0.00 C ATOM 120 C THR A 965 3.543 0.602 -6.556 1.00 0.00 C ATOM 121 O THR A 965 3.633 0.154 -7.699 1.00 0.00 O ATOM 122 CB THR A 965 4.277 2.986 -6.677 1.00 0.00 C ATOM 123 OG1 THR A 965 4.348 2.883 -8.104 1.00 0.00 O ATOM 124 CG2 THR A 965 5.273 4.026 -6.189 1.00 0.00 C ATOM 0 H THR A 965 6.463 1.806 -6.891 1.00 0.00 H new ATOM 0 HA THR A 965 4.459 1.704 -4.953 1.00 0.00 H new ATOM 0 HB THR A 965 3.275 3.300 -6.386 1.00 0.00 H new ATOM 0 HG1 THR A 965 4.091 1.979 -8.380 1.00 0.00 H new ATOM 0 HG21 THR A 965 5.054 4.986 -6.656 1.00 0.00 H new ATOM 0 HG22 THR A 965 5.196 4.123 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 965 6.283 3.715 -6.455 1.00 0.00 H new ATOM 132 N PRO A 966 2.564 0.222 -5.716 1.00 0.00 N ATOM 133 CA PRO A 966 1.563 -0.785 -6.073 1.00 0.00 C ATOM 134 C PRO A 966 0.450 -0.218 -6.949 1.00 0.00 C ATOM 135 O PRO A 966 0.006 0.913 -6.745 1.00 0.00 O ATOM 136 CB PRO A 966 1.010 -1.207 -4.714 1.00 0.00 C ATOM 137 CG PRO A 966 1.125 0.017 -3.872 1.00 0.00 C ATOM 138 CD PRO A 966 2.361 0.738 -4.347 1.00 0.00 C ATOM 0 HA PRO A 966 1.988 -1.601 -6.657 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -0.025 -1.540 -4.792 1.00 0.00 H new ATOM 0 HB3 PRO A 966 1.580 -2.035 -4.292 1.00 0.00 H new ATOM 0 HG2 PRO A 966 0.242 0.647 -3.978 1.00 0.00 H new ATOM 0 HG3 PRO A 966 1.207 -0.243 -2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 966 2.220 1.819 -4.343 1.00 0.00 H new ATOM 0 HD3 PRO A 966 3.218 0.526 -3.708 1.00 0.00 H new ATOM 146 N PRO A 967 -0.033 -1.006 -7.927 1.00 0.00 N ATOM 147 CA PRO A 967 -1.180 -0.620 -8.756 1.00 0.00 C ATOM 148 C PRO A 967 -2.478 -0.594 -7.956 1.00 0.00 C ATOM 149 O PRO A 967 -2.653 -1.371 -7.019 1.00 0.00 O ATOM 150 CB PRO A 967 -1.233 -1.713 -9.826 1.00 0.00 C ATOM 151 CG PRO A 967 -0.574 -2.892 -9.197 1.00 0.00 C ATOM 152 CD PRO A 967 0.489 -2.337 -8.290 1.00 0.00 C ATOM 0 HA PRO A 967 -1.071 0.385 -9.165 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -2.261 -1.939 -10.110 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -0.712 -1.405 -10.732 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -1.294 -3.488 -8.636 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -0.139 -3.546 -9.953 1.00 0.00 H new ATOM 0 HD2 PRO A 967 0.635 -2.965 -7.411 1.00 0.00 H new ATOM 0 HD3 PRO A 967 1.452 -2.267 -8.795 1.00 0.00 H new ATOM 160 N ASP A 968 -3.377 0.315 -8.326 1.00 0.00 N ATOM 161 CA ASP A 968 -4.624 0.510 -7.592 1.00 0.00 C ATOM 162 C ASP A 968 -5.364 -0.813 -7.400 1.00 0.00 C ATOM 163 O ASP A 968 -5.938 -1.353 -8.346 1.00 0.00 O ATOM 164 CB ASP A 968 -5.523 1.504 -8.331 1.00 0.00 C ATOM 165 CG ASP A 968 -4.874 2.864 -8.490 1.00 0.00 C ATOM 166 OD1 ASP A 968 -4.178 3.075 -9.506 1.00 0.00 O ATOM 167 OD2 ASP A 968 -5.061 3.720 -7.598 1.00 0.00 O ATOM 0 H ASP A 968 -3.264 0.930 -9.132 1.00 0.00 H new ATOM 0 HA ASP A 968 -4.375 0.910 -6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -5.769 1.105 -9.315 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -6.462 1.614 -7.788 1.00 0.00 H new ATOM 172 N PRO A 969 -5.355 -1.354 -6.168 1.00 0.00 N ATOM 173 CA PRO A 969 -6.003 -2.632 -5.858 1.00 0.00 C ATOM 174 C PRO A 969 -7.524 -2.531 -5.908 1.00 0.00 C ATOM 175 O PRO A 969 -8.141 -1.957 -5.011 1.00 0.00 O ATOM 176 CB PRO A 969 -5.538 -2.946 -4.425 1.00 0.00 C ATOM 177 CG PRO A 969 -4.434 -1.981 -4.139 1.00 0.00 C ATOM 178 CD PRO A 969 -4.711 -0.773 -4.981 1.00 0.00 C ATOM 0 HA PRO A 969 -5.737 -3.404 -6.580 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -6.355 -2.828 -3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -5.189 -3.976 -4.343 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -4.408 -1.721 -3.081 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -3.464 -2.414 -4.385 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -5.363 -0.064 -4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -3.796 -0.238 -5.236 1.00 0.00 H new ATOM 186 N VAL A 970 -8.114 -3.096 -6.962 1.00 0.00 N ATOM 187 CA VAL A 970 -9.562 -3.088 -7.148 1.00 0.00 C ATOM 188 C VAL A 970 -10.162 -1.713 -6.824 1.00 0.00 C ATOM 189 O VAL A 970 -9.444 -0.715 -6.764 1.00 0.00 O ATOM 190 CB VAL A 970 -10.219 -4.191 -6.289 1.00 0.00 C ATOM 191 CG1 VAL A 970 -10.378 -3.743 -4.846 1.00 0.00 C ATOM 192 CG2 VAL A 970 -11.550 -4.630 -6.883 1.00 0.00 C ATOM 0 H VAL A 970 -7.603 -3.570 -7.707 1.00 0.00 H new ATOM 0 HA VAL A 970 -9.768 -3.295 -8.198 1.00 0.00 H new ATOM 0 HB VAL A 970 -9.555 -5.055 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -10.843 -4.540 -4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -9.399 -3.513 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -11.007 -2.853 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -11.989 -5.407 -6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -12.226 -3.777 -6.930 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -11.389 -5.021 -7.888 1.00 0.00 H new ATOM 202 N ASN A 971 -11.479 -1.664 -6.641 1.00 0.00 N ATOM 203 CA ASN A 971 -12.170 -0.410 -6.352 1.00 0.00 C ATOM 204 C ASN A 971 -11.460 0.368 -5.247 1.00 0.00 C ATOM 205 O ASN A 971 -11.451 1.599 -5.252 1.00 0.00 O ATOM 206 CB ASN A 971 -13.618 -0.685 -5.940 1.00 0.00 C ATOM 207 CG ASN A 971 -14.347 -1.565 -6.936 1.00 0.00 C ATOM 208 OD1 ASN A 971 -14.338 -2.870 -6.687 1.00 0.00 O flip ATOM 209 ND2 ASN A 971 -14.916 -1.079 -7.913 1.00 0.00 N flip ATOM 0 H ASN A 971 -12.090 -2.479 -6.688 1.00 0.00 H new ATOM 0 HA ASN A 971 -12.161 0.193 -7.260 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -13.629 -1.164 -4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -14.150 0.261 -5.839 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -14.897 -0.071 -8.065 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -15.407 -1.685 -8.571 1.00 0.00 H new ATOM 216 N GLY A 972 -10.865 -0.357 -4.306 1.00 0.00 N ATOM 217 CA GLY A 972 -10.148 0.282 -3.218 1.00 0.00 C ATOM 218 C GLY A 972 -8.983 1.122 -3.704 1.00 0.00 C ATOM 219 O GLY A 972 -8.078 0.616 -4.369 1.00 0.00 O ATOM 0 H GLY A 972 -10.866 -1.377 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -10.836 0.912 -2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -9.780 -0.481 -2.532 1.00 0.00 H new ATOM 223 N MET A 973 -9.008 2.409 -3.374 1.00 0.00 N ATOM 224 CA MET A 973 -7.956 3.327 -3.797 1.00 0.00 C ATOM 225 C MET A 973 -6.857 3.419 -2.744 1.00 0.00 C ATOM 226 O MET A 973 -7.134 3.520 -1.548 1.00 0.00 O ATOM 227 CB MET A 973 -8.541 4.714 -4.064 1.00 0.00 C ATOM 228 CG MET A 973 -9.256 5.314 -2.863 1.00 0.00 C ATOM 229 SD MET A 973 -9.959 6.937 -3.212 1.00 0.00 S ATOM 230 CE MET A 973 -8.482 7.865 -3.622 1.00 0.00 C ATOM 0 H MET A 973 -9.745 2.840 -2.815 1.00 0.00 H new ATOM 0 HA MET A 973 -7.519 2.941 -4.718 1.00 0.00 H new ATOM 0 HB2 MET A 973 -7.739 5.385 -4.371 1.00 0.00 H new ATOM 0 HB3 MET A 973 -9.240 4.650 -4.898 1.00 0.00 H new ATOM 0 HG2 MET A 973 -10.050 4.639 -2.544 1.00 0.00 H new ATOM 0 HG3 MET A 973 -8.555 5.397 -2.032 1.00 0.00 H new ATOM 0 HE1 MET A 973 -8.686 8.932 -3.532 1.00 0.00 H new ATOM 0 HE2 MET A 973 -7.678 7.591 -2.939 1.00 0.00 H new ATOM 0 HE3 MET A 973 -8.182 7.638 -4.645 1.00 0.00 H new ATOM 240 N VAL A 974 -5.607 3.389 -3.197 1.00 0.00 N ATOM 241 CA VAL A 974 -4.465 3.502 -2.298 1.00 0.00 C ATOM 242 C VAL A 974 -4.171 4.963 -1.969 1.00 0.00 C ATOM 243 O VAL A 974 -4.287 5.839 -2.828 1.00 0.00 O ATOM 244 CB VAL A 974 -3.205 2.856 -2.907 1.00 0.00 C ATOM 245 CG1 VAL A 974 -2.849 3.515 -4.231 1.00 0.00 C ATOM 246 CG2 VAL A 974 -2.038 2.932 -1.933 1.00 0.00 C ATOM 0 H VAL A 974 -5.360 3.287 -4.181 1.00 0.00 H new ATOM 0 HA VAL A 974 -4.726 2.972 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 974 -3.419 1.805 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -1.957 3.044 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -3.677 3.398 -4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -2.658 4.576 -4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -1.159 2.471 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -1.823 3.976 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -2.296 2.404 -1.015 1.00 0.00 H new ATOM 256 N HIS A 975 -3.807 5.221 -0.718 1.00 0.00 N ATOM 257 CA HIS A 975 -3.577 6.580 -0.253 1.00 0.00 C ATOM 258 C HIS A 975 -2.085 6.870 -0.128 1.00 0.00 C ATOM 259 O HIS A 975 -1.491 6.670 0.933 1.00 0.00 O ATOM 260 CB HIS A 975 -4.266 6.800 1.095 1.00 0.00 C ATOM 261 CG HIS A 975 -4.271 8.230 1.533 1.00 0.00 C ATOM 262 ND1 HIS A 975 -3.796 8.648 2.757 1.00 0.00 N ATOM 263 CD2 HIS A 975 -4.702 9.343 0.897 1.00 0.00 C ATOM 264 CE1 HIS A 975 -3.936 9.958 2.856 1.00 0.00 C ATOM 265 NE2 HIS A 975 -4.482 10.404 1.739 1.00 0.00 N ATOM 0 H HIS A 975 -3.665 4.503 -0.007 1.00 0.00 H new ATOM 0 HA HIS A 975 -3.999 7.265 -0.988 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -5.294 6.444 1.032 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -3.766 6.197 1.853 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -5.138 9.388 -0.090 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -3.652 10.561 3.706 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -4.704 11.379 1.535 1.00 0.00 H new ATOM 274 N VAL A 976 -1.486 7.353 -1.212 1.00 0.00 N ATOM 275 CA VAL A 976 -0.081 7.739 -1.198 1.00 0.00 C ATOM 276 C VAL A 976 0.114 9.059 -0.457 1.00 0.00 C ATOM 277 O VAL A 976 -0.496 10.072 -0.800 1.00 0.00 O ATOM 278 CB VAL A 976 0.484 7.863 -2.629 1.00 0.00 C ATOM 279 CG1 VAL A 976 -0.331 8.851 -3.449 1.00 0.00 C ATOM 280 CG2 VAL A 976 1.951 8.270 -2.594 1.00 0.00 C ATOM 0 H VAL A 976 -1.952 7.486 -2.110 1.00 0.00 H new ATOM 0 HA VAL A 976 0.463 6.952 -0.676 1.00 0.00 H new ATOM 0 HB VAL A 976 0.412 6.887 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 976 0.086 8.921 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -1.364 8.509 -3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -0.300 9.831 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 976 2.330 8.352 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 976 2.050 9.232 -2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 976 2.525 7.518 -2.053 1.00 0.00 H new ATOM 290 N ILE A 977 0.949 9.034 0.576 1.00 0.00 N ATOM 291 CA ILE A 977 1.146 10.200 1.428 1.00 0.00 C ATOM 292 C ILE A 977 1.639 11.398 0.621 1.00 0.00 C ATOM 293 O ILE A 977 0.852 12.264 0.235 1.00 0.00 O ATOM 294 CB ILE A 977 2.152 9.903 2.557 1.00 0.00 C ATOM 295 CG1 ILE A 977 1.712 8.667 3.343 1.00 0.00 C ATOM 296 CG2 ILE A 977 2.285 11.107 3.480 1.00 0.00 C ATOM 297 CD1 ILE A 977 2.779 8.127 4.268 1.00 0.00 C ATOM 0 H ILE A 977 1.500 8.219 0.843 1.00 0.00 H new ATOM 0 HA ILE A 977 0.177 10.439 1.867 1.00 0.00 H new ATOM 0 HB ILE A 977 3.128 9.703 2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 977 0.827 8.915 3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 977 1.421 7.885 2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 977 2.999 10.881 4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 977 2.636 11.966 2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 977 1.315 11.336 3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 977 2.397 7.251 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 977 3.657 7.847 3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 977 3.053 8.893 4.993 1.00 0.00 H new ATOM 309 N THR A 978 2.944 11.445 0.374 1.00 0.00 N ATOM 310 CA THR A 978 3.550 12.561 -0.344 1.00 0.00 C ATOM 311 C THR A 978 4.923 12.177 -0.888 1.00 0.00 C ATOM 312 O THR A 978 5.407 12.770 -1.853 1.00 0.00 O ATOM 313 CB THR A 978 3.698 13.799 0.563 1.00 0.00 C ATOM 314 OG1 THR A 978 2.430 14.147 1.132 1.00 0.00 O ATOM 315 CG2 THR A 978 4.245 14.984 -0.220 1.00 0.00 C ATOM 0 H THR A 978 3.604 10.722 0.661 1.00 0.00 H new ATOM 0 HA THR A 978 2.886 12.806 -1.173 1.00 0.00 H new ATOM 0 HB THR A 978 4.400 13.552 1.360 1.00 0.00 H new ATOM 0 HG1 THR A 978 1.711 13.767 0.586 1.00 0.00 H new ATOM 0 HG21 THR A 978 4.340 15.845 0.442 1.00 0.00 H new ATOM 0 HG22 THR A 978 5.223 14.730 -0.628 1.00 0.00 H new ATOM 0 HG23 THR A 978 3.564 15.227 -1.035 1.00 0.00 H new ATOM 323 N ASP A 979 5.550 11.190 -0.256 1.00 0.00 N ATOM 324 CA ASP A 979 6.900 10.784 -0.619 1.00 0.00 C ATOM 325 C ASP A 979 7.061 9.275 -0.481 1.00 0.00 C ATOM 326 O ASP A 979 6.795 8.706 0.578 1.00 0.00 O ATOM 327 CB ASP A 979 7.924 11.504 0.259 1.00 0.00 C ATOM 328 CG ASP A 979 7.854 13.011 0.112 1.00 0.00 C ATOM 329 OD1 ASP A 979 8.550 13.554 -0.772 1.00 0.00 O ATOM 330 OD2 ASP A 979 7.104 13.648 0.880 1.00 0.00 O ATOM 0 H ASP A 979 5.142 10.656 0.512 1.00 0.00 H new ATOM 0 HA ASP A 979 7.073 11.058 -1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 979 7.757 11.235 1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 979 8.926 11.162 -0.001 1.00 0.00 H new ATOM 335 N ILE A 980 7.476 8.633 -1.565 1.00 0.00 N ATOM 336 CA ILE A 980 7.541 7.179 -1.614 1.00 0.00 C ATOM 337 C ILE A 980 8.977 6.680 -1.484 1.00 0.00 C ATOM 338 O ILE A 980 9.427 5.843 -2.266 1.00 0.00 O ATOM 339 CB ILE A 980 6.933 6.639 -2.923 1.00 0.00 C ATOM 340 CG1 ILE A 980 7.355 7.519 -4.103 1.00 0.00 C ATOM 341 CG2 ILE A 980 5.417 6.573 -2.813 1.00 0.00 C ATOM 342 CD1 ILE A 980 6.893 6.998 -5.447 1.00 0.00 C ATOM 0 H ILE A 980 7.773 9.097 -2.423 1.00 0.00 H new ATOM 0 HA ILE A 980 6.961 6.808 -0.769 1.00 0.00 H new ATOM 0 HB ILE A 980 7.307 5.630 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 980 6.957 8.523 -3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 980 8.442 7.605 -4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 980 5.001 6.190 -3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 980 5.140 5.911 -1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 980 5.022 7.571 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 980 7.229 7.673 -6.234 1.00 0.00 H new ATOM 0 HD12 ILE A 980 7.312 6.006 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 980 5.805 6.939 -5.460 1.00 0.00 H new ATOM 354 N GLN A 981 9.684 7.185 -0.478 1.00 0.00 N ATOM 355 CA GLN A 981 11.023 6.693 -0.169 1.00 0.00 C ATOM 356 C GLN A 981 10.961 5.561 0.851 1.00 0.00 C ATOM 357 O GLN A 981 9.928 5.339 1.483 1.00 0.00 O ATOM 358 CB GLN A 981 11.906 7.823 0.365 1.00 0.00 C ATOM 359 CG GLN A 981 12.049 8.994 -0.593 1.00 0.00 C ATOM 360 CD GLN A 981 11.048 10.099 -0.321 1.00 0.00 C ATOM 361 OE1 GLN A 981 10.688 10.271 0.947 1.00 0.00 O flip ATOM 362 NE2 GLN A 981 10.608 10.795 -1.236 1.00 0.00 N flip ATOM 0 H GLN A 981 9.355 7.931 0.135 1.00 0.00 H new ATOM 0 HA GLN A 981 11.459 6.311 -1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 981 11.489 8.184 1.305 1.00 0.00 H new ATOM 0 HB3 GLN A 981 12.896 7.424 0.587 1.00 0.00 H new ATOM 0 HG2 GLN A 981 13.059 9.398 -0.518 1.00 0.00 H new ATOM 0 HG3 GLN A 981 11.923 8.639 -1.616 1.00 0.00 H new ATOM 0 HE21 GLN A 981 10.912 10.628 -2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 981 9.940 11.539 -1.035 1.00 0.00 H new ATOM 371 N VAL A 982 12.073 4.852 1.008 1.00 0.00 N ATOM 372 CA VAL A 982 12.155 3.761 1.972 1.00 0.00 C ATOM 373 C VAL A 982 11.981 4.275 3.396 1.00 0.00 C ATOM 374 O VAL A 982 12.565 5.290 3.778 1.00 0.00 O ATOM 375 CB VAL A 982 13.499 3.017 1.863 1.00 0.00 C ATOM 376 CG1 VAL A 982 13.558 1.865 2.856 1.00 0.00 C ATOM 377 CG2 VAL A 982 13.714 2.518 0.443 1.00 0.00 C ATOM 0 H VAL A 982 12.931 5.013 0.480 1.00 0.00 H new ATOM 0 HA VAL A 982 11.347 3.068 1.739 1.00 0.00 H new ATOM 0 HB VAL A 982 14.301 3.714 2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 982 14.516 1.353 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 982 13.451 2.252 3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 982 12.750 1.164 2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 982 14.668 1.994 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 982 12.908 1.837 0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 982 13.720 3.365 -0.243 1.00 0.00 H new ATOM 387 N GLY A 983 11.166 3.572 4.175 1.00 0.00 N ATOM 388 CA GLY A 983 10.867 4.011 5.525 1.00 0.00 C ATOM 389 C GLY A 983 9.515 4.686 5.623 1.00 0.00 C ATOM 390 O GLY A 983 9.074 5.055 6.712 1.00 0.00 O ATOM 0 H GLY A 983 10.707 2.705 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 983 10.892 3.154 6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 983 11.641 4.702 5.860 1.00 0.00 H new ATOM 394 N SER A 984 8.852 4.843 4.482 1.00 0.00 N ATOM 395 CA SER A 984 7.532 5.460 4.441 1.00 0.00 C ATOM 396 C SER A 984 6.448 4.449 4.799 1.00 0.00 C ATOM 397 O SER A 984 6.676 3.240 4.760 1.00 0.00 O ATOM 398 CB SER A 984 7.261 6.047 3.055 1.00 0.00 C ATOM 399 OG SER A 984 8.207 7.052 2.734 1.00 0.00 O ATOM 0 H SER A 984 9.208 4.551 3.572 1.00 0.00 H new ATOM 0 HA SER A 984 7.512 6.264 5.177 1.00 0.00 H new ATOM 0 HB2 SER A 984 7.299 5.255 2.307 1.00 0.00 H new ATOM 0 HB3 SER A 984 6.255 6.466 3.024 1.00 0.00 H new ATOM 0 HG SER A 984 8.961 6.650 2.254 1.00 0.00 H new ATOM 405 N ARG A 985 5.269 4.952 5.152 1.00 0.00 N ATOM 406 CA ARG A 985 4.161 4.094 5.551 1.00 0.00 C ATOM 407 C ARG A 985 2.834 4.639 5.030 1.00 0.00 C ATOM 408 O ARG A 985 2.146 5.390 5.722 1.00 0.00 O ATOM 409 CB ARG A 985 4.113 3.968 7.075 1.00 0.00 C ATOM 410 CG ARG A 985 2.997 3.068 7.581 1.00 0.00 C ATOM 411 CD ARG A 985 2.986 2.992 9.098 1.00 0.00 C ATOM 412 NE ARG A 985 4.220 2.416 9.626 1.00 0.00 N ATOM 413 CZ ARG A 985 4.465 2.258 10.924 1.00 0.00 C ATOM 414 NH1 ARG A 985 3.566 2.635 11.823 1.00 0.00 N ATOM 415 NH2 ARG A 985 5.611 1.723 11.323 1.00 0.00 N ATOM 0 H ARG A 985 5.057 5.950 5.170 1.00 0.00 H new ATOM 0 HA ARG A 985 4.321 3.108 5.116 1.00 0.00 H new ATOM 0 HB2 ARG A 985 5.068 3.580 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 985 3.992 4.961 7.509 1.00 0.00 H new ATOM 0 HG2 ARG A 985 2.037 3.444 7.228 1.00 0.00 H new ATOM 0 HG3 ARG A 985 3.119 2.067 7.167 1.00 0.00 H new ATOM 0 HD2 ARG A 985 2.847 3.992 9.510 1.00 0.00 H new ATOM 0 HD3 ARG A 985 2.137 2.392 9.425 1.00 0.00 H new ATOM 0 HE ARG A 985 4.934 2.118 8.962 1.00 0.00 H new ATOM 0 HH11 ARG A 985 2.684 3.047 11.520 1.00 0.00 H new ATOM 0 HH12 ARG A 985 3.757 2.513 12.817 1.00 0.00 H new ATOM 0 HH21 ARG A 985 6.305 1.432 10.635 1.00 0.00 H new ATOM 0 HH22 ARG A 985 5.798 1.602 12.318 1.00 0.00 H new ATOM 429 N ILE A 986 2.475 4.249 3.811 1.00 0.00 N ATOM 430 CA ILE A 986 1.206 4.657 3.222 1.00 0.00 C ATOM 431 C ILE A 986 0.061 3.790 3.740 1.00 0.00 C ATOM 432 O ILE A 986 0.287 2.801 4.436 1.00 0.00 O ATOM 433 CB ILE A 986 1.243 4.577 1.682 1.00 0.00 C ATOM 434 CG1 ILE A 986 1.512 3.140 1.228 1.00 0.00 C ATOM 435 CG2 ILE A 986 2.302 5.521 1.131 1.00 0.00 C ATOM 436 CD1 ILE A 986 1.432 2.950 -0.272 1.00 0.00 C ATOM 0 H ILE A 986 3.045 3.651 3.213 1.00 0.00 H new ATOM 0 HA ILE A 986 1.039 5.693 3.516 1.00 0.00 H new ATOM 0 HB ILE A 986 0.272 4.882 1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 986 2.502 2.839 1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 986 0.793 2.476 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 986 2.318 5.455 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 986 2.069 6.543 1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 986 3.279 5.242 1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 986 1.634 1.907 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 986 0.435 3.218 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 986 2.170 3.587 -0.759 1.00 0.00 H new ATOM 448 N THR A 987 -1.166 4.174 3.406 1.00 0.00 N ATOM 449 CA THR A 987 -2.346 3.469 3.892 1.00 0.00 C ATOM 450 C THR A 987 -3.282 3.102 2.747 1.00 0.00 C ATOM 451 O THR A 987 -3.427 3.857 1.785 1.00 0.00 O ATOM 452 CB THR A 987 -3.121 4.312 4.922 1.00 0.00 C ATOM 453 OG1 THR A 987 -3.554 5.540 4.324 1.00 0.00 O ATOM 454 CG2 THR A 987 -2.257 4.611 6.137 1.00 0.00 C ATOM 0 H THR A 987 -1.369 4.969 2.801 1.00 0.00 H new ATOM 0 HA THR A 987 -1.990 2.557 4.372 1.00 0.00 H new ATOM 0 HB THR A 987 -3.990 3.740 5.246 1.00 0.00 H new ATOM 0 HG1 THR A 987 -4.047 6.070 4.985 1.00 0.00 H new ATOM 0 HG21 THR A 987 -2.826 5.207 6.850 1.00 0.00 H new ATOM 0 HG22 THR A 987 -1.954 3.675 6.607 1.00 0.00 H new ATOM 0 HG23 THR A 987 -1.371 5.165 5.826 1.00 0.00 H new ATOM 462 N TYR A 988 -3.912 1.937 2.856 1.00 0.00 N ATOM 463 CA TYR A 988 -4.823 1.457 1.822 1.00 0.00 C ATOM 464 C TYR A 988 -6.265 1.489 2.314 1.00 0.00 C ATOM 465 O TYR A 988 -6.544 1.165 3.468 1.00 0.00 O ATOM 466 CB TYR A 988 -4.446 0.035 1.402 1.00 0.00 C ATOM 467 CG TYR A 988 -3.063 -0.075 0.800 1.00 0.00 C ATOM 468 CD1 TYR A 988 -1.928 0.066 1.589 1.00 0.00 C ATOM 469 CD2 TYR A 988 -2.893 -0.320 -0.556 1.00 0.00 C ATOM 470 CE1 TYR A 988 -0.663 -0.033 1.043 1.00 0.00 C ATOM 471 CE2 TYR A 988 -1.630 -0.421 -1.109 1.00 0.00 C ATOM 472 CZ TYR A 988 -0.519 -0.276 -0.305 1.00 0.00 C ATOM 473 OH TYR A 988 0.739 -0.375 -0.851 1.00 0.00 O ATOM 0 H TYR A 988 -3.808 1.307 3.651 1.00 0.00 H new ATOM 0 HA TYR A 988 -4.737 2.118 0.959 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -4.507 -0.619 2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -5.177 -0.327 0.679 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -2.037 0.256 2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -3.761 -0.433 -1.189 1.00 0.00 H new ATOM 0 HE1 TYR A 988 0.209 0.080 1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -1.514 -0.613 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 988 0.974 -1.320 -0.963 1.00 0.00 H new ATOM 483 N SER A 989 -7.178 1.890 1.435 1.00 0.00 N ATOM 484 CA SER A 989 -8.588 1.995 1.793 1.00 0.00 C ATOM 485 C SER A 989 -9.481 1.690 0.596 1.00 0.00 C ATOM 486 O SER A 989 -8.998 1.493 -0.519 1.00 0.00 O ATOM 487 CB SER A 989 -8.894 3.395 2.328 1.00 0.00 C ATOM 488 OG SER A 989 -10.240 3.495 2.759 1.00 0.00 O ATOM 0 H SER A 989 -6.967 2.147 0.471 1.00 0.00 H new ATOM 0 HA SER A 989 -8.795 1.260 2.571 1.00 0.00 H new ATOM 0 HB2 SER A 989 -8.226 3.624 3.158 1.00 0.00 H new ATOM 0 HB3 SER A 989 -8.702 4.134 1.550 1.00 0.00 H new ATOM 0 HG SER A 989 -10.409 4.399 3.098 1.00 0.00 H new ATOM 494 N CYS A 990 -10.787 1.655 0.838 1.00 0.00 N ATOM 495 CA CYS A 990 -11.756 1.389 -0.218 1.00 0.00 C ATOM 496 C CYS A 990 -12.394 2.682 -0.713 1.00 0.00 C ATOM 497 O CYS A 990 -12.435 3.681 0.005 1.00 0.00 O ATOM 498 CB CYS A 990 -12.839 0.433 0.282 1.00 0.00 C ATOM 499 SG CYS A 990 -12.312 -1.307 0.372 1.00 0.00 S ATOM 0 H CYS A 990 -11.199 1.808 1.758 1.00 0.00 H new ATOM 0 HA CYS A 990 -11.227 0.925 -1.050 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -13.164 0.755 1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -13.705 0.506 -0.377 1.00 0.00 H new ATOM 504 N THR A 991 -12.885 2.652 -1.947 1.00 0.00 N ATOM 505 CA THR A 991 -13.477 3.833 -2.564 1.00 0.00 C ATOM 506 C THR A 991 -14.844 4.147 -1.964 1.00 0.00 C ATOM 507 O THR A 991 -15.465 5.153 -2.303 1.00 0.00 O ATOM 508 CB THR A 991 -13.626 3.655 -4.087 1.00 0.00 C ATOM 509 OG1 THR A 991 -14.218 4.826 -4.663 1.00 0.00 O ATOM 510 CG2 THR A 991 -14.481 2.438 -4.409 1.00 0.00 C ATOM 0 H THR A 991 -12.885 1.822 -2.540 1.00 0.00 H new ATOM 0 HA THR A 991 -12.800 4.664 -2.365 1.00 0.00 H new ATOM 0 HB THR A 991 -12.633 3.505 -4.511 1.00 0.00 H new ATOM 0 HG1 THR A 991 -14.677 5.338 -3.965 1.00 0.00 H new ATOM 0 HG21 THR A 991 -14.572 2.333 -5.490 1.00 0.00 H new ATOM 0 HG22 THR A 991 -14.013 1.545 -3.996 1.00 0.00 H new ATOM 0 HG23 THR A 991 -15.472 2.563 -3.972 1.00 0.00 H new ATOM 518 N THR A 992 -15.305 3.280 -1.067 1.00 0.00 N ATOM 519 CA THR A 992 -16.596 3.467 -0.417 1.00 0.00 C ATOM 520 C THR A 992 -16.468 3.371 1.100 1.00 0.00 C ATOM 521 O THR A 992 -17.131 4.103 1.836 1.00 0.00 O ATOM 522 CB THR A 992 -17.623 2.427 -0.902 1.00 0.00 C ATOM 523 OG1 THR A 992 -17.761 2.502 -2.327 1.00 0.00 O ATOM 524 CG2 THR A 992 -18.977 2.652 -0.247 1.00 0.00 C ATOM 0 H THR A 992 -14.803 2.442 -0.775 1.00 0.00 H new ATOM 0 HA THR A 992 -16.944 4.464 -0.686 1.00 0.00 H new ATOM 0 HB THR A 992 -17.262 1.438 -0.621 1.00 0.00 H new ATOM 0 HG1 THR A 992 -18.414 1.836 -2.628 1.00 0.00 H new ATOM 0 HG21 THR A 992 -19.684 1.904 -0.607 1.00 0.00 H new ATOM 0 HG22 THR A 992 -18.877 2.566 0.835 1.00 0.00 H new ATOM 0 HG23 THR A 992 -19.342 3.648 -0.499 1.00 0.00 H new ATOM 532 N GLY A 993 -15.614 2.462 1.560 1.00 0.00 N ATOM 533 CA GLY A 993 -15.430 2.270 2.987 1.00 0.00 C ATOM 534 C GLY A 993 -15.501 0.810 3.388 1.00 0.00 C ATOM 535 O GLY A 993 -15.750 0.490 4.551 1.00 0.00 O ATOM 0 H GLY A 993 -15.046 1.855 0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -14.464 2.679 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -16.193 2.830 3.527 1.00 0.00 H new ATOM 539 N HIS A 994 -15.285 -0.076 2.422 1.00 0.00 N ATOM 540 CA HIS A 994 -15.347 -1.512 2.671 1.00 0.00 C ATOM 541 C HIS A 994 -14.124 -1.981 3.454 1.00 0.00 C ATOM 542 O HIS A 994 -13.317 -1.170 3.907 1.00 0.00 O ATOM 543 CB HIS A 994 -15.449 -2.274 1.348 1.00 0.00 C ATOM 544 CG HIS A 994 -16.549 -1.783 0.458 1.00 0.00 C ATOM 545 ND1 HIS A 994 -17.841 -1.585 0.897 1.00 0.00 N ATOM 546 CD2 HIS A 994 -16.544 -1.446 -0.854 1.00 0.00 C ATOM 547 CE1 HIS A 994 -18.583 -1.148 -0.106 1.00 0.00 C ATOM 548 NE2 HIS A 994 -17.819 -1.055 -1.178 1.00 0.00 N ATOM 0 H HIS A 994 -15.065 0.175 1.458 1.00 0.00 H new ATOM 0 HA HIS A 994 -16.236 -1.717 3.268 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -14.500 -2.193 0.818 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -15.608 -3.332 1.559 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -15.695 -1.479 -1.521 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -19.635 -0.908 -0.057 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -18.127 -0.743 -2.099 1.00 0.00 H new ATOM 557 N ARG A 995 -14.003 -3.294 3.623 1.00 0.00 N ATOM 558 CA ARG A 995 -12.933 -3.865 4.434 1.00 0.00 C ATOM 559 C ARG A 995 -11.730 -4.239 3.573 1.00 0.00 C ATOM 560 O ARG A 995 -11.880 -4.618 2.411 1.00 0.00 O ATOM 561 CB ARG A 995 -13.438 -5.098 5.187 1.00 0.00 C ATOM 562 CG ARG A 995 -12.424 -5.688 6.156 1.00 0.00 C ATOM 563 CD ARG A 995 -12.256 -4.822 7.395 1.00 0.00 C ATOM 564 NE ARG A 995 -11.635 -3.535 7.091 1.00 0.00 N ATOM 565 CZ ARG A 995 -11.597 -2.515 7.943 1.00 0.00 C ATOM 566 NH1 ARG A 995 -12.143 -2.630 9.147 1.00 0.00 N ATOM 567 NH2 ARG A 995 -11.014 -1.377 7.591 1.00 0.00 N ATOM 0 H ARG A 995 -14.632 -3.982 3.210 1.00 0.00 H new ATOM 0 HA ARG A 995 -12.618 -3.109 5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -14.340 -4.831 5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -13.722 -5.862 4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -12.743 -6.687 6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -11.462 -5.796 5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -13.231 -4.654 7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -11.647 -5.353 8.127 1.00 0.00 H new ATOM 0 HE ARG A 995 -11.207 -3.412 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -12.594 -3.503 9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -12.112 -1.845 9.798 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -10.594 -1.284 6.666 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -10.985 -0.595 8.245 1.00 0.00 H new ATOM 581 N LEU A 996 -10.538 -4.140 4.156 1.00 0.00 N ATOM 582 CA LEU A 996 -9.311 -4.517 3.464 1.00 0.00 C ATOM 583 C LEU A 996 -8.919 -5.950 3.815 1.00 0.00 C ATOM 584 O LEU A 996 -8.583 -6.248 4.961 1.00 0.00 O ATOM 585 CB LEU A 996 -8.175 -3.557 3.838 1.00 0.00 C ATOM 586 CG LEU A 996 -7.012 -3.480 2.840 1.00 0.00 C ATOM 587 CD1 LEU A 996 -6.229 -4.785 2.816 1.00 0.00 C ATOM 588 CD2 LEU A 996 -7.519 -3.132 1.449 1.00 0.00 C ATOM 0 H LEU A 996 -10.397 -3.801 5.108 1.00 0.00 H new ATOM 0 HA LEU A 996 -9.488 -4.456 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -8.593 -2.558 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -7.778 -3.854 4.808 1.00 0.00 H new ATOM 0 HG LEU A 996 -6.339 -2.688 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -5.410 -4.705 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -5.826 -4.986 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -6.890 -5.600 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -6.678 -3.082 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -8.219 -3.898 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -8.023 -2.166 1.477 1.00 0.00 H new ATOM 600 N ILE A 997 -8.954 -6.831 2.820 1.00 0.00 N ATOM 601 CA ILE A 997 -8.542 -8.216 3.013 1.00 0.00 C ATOM 602 C ILE A 997 -7.026 -8.343 2.913 1.00 0.00 C ATOM 603 O ILE A 997 -6.482 -8.600 1.838 1.00 0.00 O ATOM 604 CB ILE A 997 -9.202 -9.156 1.982 1.00 0.00 C ATOM 605 CG1 ILE A 997 -10.729 -9.080 2.080 1.00 0.00 C ATOM 606 CG2 ILE A 997 -8.728 -10.588 2.189 1.00 0.00 C ATOM 607 CD1 ILE A 997 -11.323 -7.845 1.440 1.00 0.00 C ATOM 0 H ILE A 997 -9.263 -6.610 1.873 1.00 0.00 H new ATOM 0 HA ILE A 997 -8.869 -8.513 4.010 1.00 0.00 H new ATOM 0 HB ILE A 997 -8.906 -8.832 0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -11.158 -9.964 1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -11.018 -9.108 3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -9.203 -11.238 1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -7.646 -10.634 2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -8.996 -10.918 3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -12.407 -7.864 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -10.924 -6.955 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -11.066 -7.825 0.381 1.00 0.00 H new ATOM 619 N GLY A 998 -6.348 -8.144 4.039 1.00 0.00 N ATOM 620 CA GLY A 998 -4.898 -8.155 4.043 1.00 0.00 C ATOM 621 C GLY A 998 -4.316 -7.239 5.102 1.00 0.00 C ATOM 622 O GLY A 998 -4.403 -7.525 6.296 1.00 0.00 O ATOM 0 H GLY A 998 -6.778 -7.975 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -4.546 -9.172 4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -4.532 -7.851 3.062 1.00 0.00 H new ATOM 626 N HIS A 999 -3.725 -6.135 4.661 1.00 0.00 N ATOM 627 CA HIS A 999 -3.138 -5.163 5.576 1.00 0.00 C ATOM 628 C HIS A 999 -3.322 -3.743 5.049 1.00 0.00 C ATOM 629 O HIS A 999 -2.819 -3.398 3.980 1.00 0.00 O ATOM 630 CB HIS A 999 -1.651 -5.459 5.780 1.00 0.00 C ATOM 631 CG HIS A 999 -1.008 -4.611 6.833 1.00 0.00 C ATOM 632 ND1 HIS A 999 0.341 -4.324 6.847 1.00 0.00 N ATOM 633 CD2 HIS A 999 -1.535 -3.993 7.915 1.00 0.00 C ATOM 634 CE1 HIS A 999 0.615 -3.565 7.894 1.00 0.00 C ATOM 635 NE2 HIS A 999 -0.507 -3.349 8.557 1.00 0.00 N ATOM 0 H HIS A 999 -3.639 -5.890 3.675 1.00 0.00 H new ATOM 0 HA HIS A 999 -3.651 -5.244 6.535 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -1.532 -6.509 6.048 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -1.127 -5.310 4.836 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -2.572 -4.004 8.217 1.00 0.00 H new ATOM 0 HE1 HIS A 999 1.590 -3.186 8.162 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -0.595 -2.794 9.408 1.00 0.00 H new ATOM 644 N SER A1000 -4.048 -2.925 5.806 1.00 0.00 N ATOM 645 CA SER A1000 -4.322 -1.549 5.403 1.00 0.00 C ATOM 646 C SER A1000 -3.151 -0.632 5.748 1.00 0.00 C ATOM 647 O SER A1000 -3.344 0.537 6.085 1.00 0.00 O ATOM 648 CB SER A1000 -5.598 -1.043 6.080 1.00 0.00 C ATOM 649 OG SER A1000 -5.473 -1.073 7.492 1.00 0.00 O ATOM 0 H SER A1000 -4.457 -3.191 6.702 1.00 0.00 H new ATOM 0 HA SER A1000 -4.460 -1.536 4.322 1.00 0.00 H new ATOM 0 HB2 SER A1000 -5.808 -0.025 5.752 1.00 0.00 H new ATOM 0 HB3 SER A1000 -6.444 -1.658 5.774 1.00 0.00 H new ATOM 0 HG SER A1000 -6.300 -0.743 7.901 1.00 0.00 H new ATOM 655 N SER A1001 -1.938 -1.166 5.651 1.00 0.00 N ATOM 656 CA SER A1001 -0.733 -0.380 5.893 1.00 0.00 C ATOM 657 C SER A1001 0.470 -1.011 5.202 1.00 0.00 C ATOM 658 O SER A1001 0.458 -2.199 4.877 1.00 0.00 O ATOM 659 CB SER A1001 -0.468 -0.259 7.395 1.00 0.00 C ATOM 660 OG SER A1001 0.688 0.520 7.648 1.00 0.00 O ATOM 0 H SER A1001 -1.763 -2.141 5.406 1.00 0.00 H new ATOM 0 HA SER A1001 -0.889 0.616 5.480 1.00 0.00 H new ATOM 0 HB2 SER A1001 -1.330 0.195 7.884 1.00 0.00 H new ATOM 0 HB3 SER A1001 -0.343 -1.252 7.826 1.00 0.00 H new ATOM 0 HG SER A1001 0.834 0.584 8.615 1.00 0.00 H new ATOM 666 N ALA A1002 1.502 -0.208 4.966 1.00 0.00 N ATOM 667 CA ALA A1002 2.672 -0.669 4.227 1.00 0.00 C ATOM 668 C ALA A1002 3.965 -0.185 4.871 1.00 0.00 C ATOM 669 O ALA A1002 3.960 0.734 5.691 1.00 0.00 O ATOM 670 CB ALA A1002 2.601 -0.203 2.781 1.00 0.00 C ATOM 0 H ALA A1002 1.552 0.763 5.275 1.00 0.00 H new ATOM 0 HA ALA A1002 2.672 -1.759 4.252 1.00 0.00 H new ATOM 0 HB1 ALA A1002 3.481 -0.554 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A1002 1.703 -0.606 2.312 1.00 0.00 H new ATOM 0 HB3 ALA A1002 2.568 0.886 2.751 1.00 0.00 H new ATOM 676 N GLU A1003 5.074 -0.802 4.479 1.00 0.00 N ATOM 677 CA GLU A1003 6.393 -0.379 4.933 1.00 0.00 C ATOM 678 C GLU A1003 7.458 -0.757 3.909 1.00 0.00 C ATOM 679 O GLU A1003 7.828 -1.925 3.786 1.00 0.00 O ATOM 680 CB GLU A1003 6.720 -1.014 6.286 1.00 0.00 C ATOM 681 CG GLU A1003 8.061 -0.580 6.855 1.00 0.00 C ATOM 682 CD GLU A1003 8.357 -1.215 8.200 1.00 0.00 C ATOM 683 OE1 GLU A1003 8.959 -2.310 8.220 1.00 0.00 O ATOM 684 OE2 GLU A1003 7.986 -0.618 9.232 1.00 0.00 O ATOM 0 H GLU A1003 5.085 -1.601 3.845 1.00 0.00 H new ATOM 0 HA GLU A1003 6.385 0.705 5.045 1.00 0.00 H new ATOM 0 HB2 GLU A1003 5.934 -0.759 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A1003 6.714 -2.099 6.180 1.00 0.00 H new ATOM 0 HG2 GLU A1003 8.852 -0.842 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A1003 8.073 0.505 6.959 1.00 0.00 H new ATOM 691 N CYS A1004 7.935 0.237 3.165 1.00 0.00 N ATOM 692 CA CYS A1004 8.897 0.000 2.093 1.00 0.00 C ATOM 693 C CYS A1004 10.146 -0.695 2.626 1.00 0.00 C ATOM 694 O CYS A1004 11.036 -0.053 3.184 1.00 0.00 O ATOM 695 CB CYS A1004 9.279 1.321 1.424 1.00 0.00 C ATOM 696 SG CYS A1004 10.377 1.136 -0.018 1.00 0.00 S ATOM 0 H CYS A1004 7.671 1.215 3.285 1.00 0.00 H new ATOM 0 HA CYS A1004 8.429 -0.652 1.355 1.00 0.00 H new ATOM 0 HB2 CYS A1004 8.369 1.833 1.111 1.00 0.00 H new ATOM 0 HB3 CYS A1004 9.768 1.960 2.159 1.00 0.00 H new ATOM 701 N ILE A1005 10.200 -2.011 2.454 1.00 0.00 N ATOM 702 CA ILE A1005 11.319 -2.802 2.952 1.00 0.00 C ATOM 703 C ILE A1005 11.987 -3.587 1.827 1.00 0.00 C ATOM 704 O ILE A1005 11.315 -4.135 0.953 1.00 0.00 O ATOM 705 CB ILE A1005 10.868 -3.785 4.051 1.00 0.00 C ATOM 706 CG1 ILE A1005 9.771 -4.713 3.518 1.00 0.00 C ATOM 707 CG2 ILE A1005 10.378 -3.021 5.273 1.00 0.00 C ATOM 708 CD1 ILE A1005 9.363 -5.793 4.498 1.00 0.00 C ATOM 0 H ILE A1005 9.482 -2.553 1.973 1.00 0.00 H new ATOM 0 HA ILE A1005 12.037 -2.099 3.374 1.00 0.00 H new ATOM 0 HB ILE A1005 11.721 -4.396 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A1005 8.895 -4.117 3.261 1.00 0.00 H new ATOM 0 HG13 ILE A1005 10.119 -5.182 2.597 1.00 0.00 H new ATOM 0 HG21 ILE A1005 10.063 -3.727 6.041 1.00 0.00 H new ATOM 0 HG22 ILE A1005 11.185 -2.399 5.661 1.00 0.00 H new ATOM 0 HG23 ILE A1005 9.535 -2.389 4.993 1.00 0.00 H new ATOM 0 HD11 ILE A1005 8.583 -6.412 4.054 1.00 0.00 H new ATOM 0 HD12 ILE A1005 10.227 -6.413 4.736 1.00 0.00 H new ATOM 0 HD13 ILE A1005 8.985 -5.332 5.410 1.00 0.00 H new ATOM 720 N LEU A1006 13.316 -3.639 1.859 1.00 0.00 N ATOM 721 CA LEU A1006 14.077 -4.383 0.862 1.00 0.00 C ATOM 722 C LEU A1006 14.261 -5.834 1.291 1.00 0.00 C ATOM 723 O LEU A1006 14.160 -6.160 2.475 1.00 0.00 O ATOM 724 CB LEU A1006 15.446 -3.732 0.639 1.00 0.00 C ATOM 725 CG LEU A1006 15.407 -2.264 0.207 1.00 0.00 C ATOM 726 CD1 LEU A1006 15.149 -1.360 1.402 1.00 0.00 C ATOM 727 CD2 LEU A1006 16.709 -1.878 -0.479 1.00 0.00 C ATOM 0 H LEU A1006 13.887 -3.174 2.565 1.00 0.00 H new ATOM 0 HA LEU A1006 13.516 -4.364 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A1006 16.021 -3.807 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A1006 15.983 -4.303 -0.119 1.00 0.00 H new ATOM 0 HG LEU A1006 14.589 -2.137 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A1006 15.125 -0.321 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A1006 14.192 -1.620 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A1006 15.945 -1.490 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A1006 16.665 -0.831 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A1006 17.540 -2.023 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A1006 16.855 -2.503 -1.360 1.00 0.00 H new ATOM 739 N SER A1007 14.533 -6.702 0.322 1.00 0.00 N ATOM 740 CA SER A1007 14.752 -8.117 0.601 1.00 0.00 C ATOM 741 C SER A1007 15.644 -8.749 -0.463 1.00 0.00 C ATOM 742 O SER A1007 15.694 -9.972 -0.597 1.00 0.00 O ATOM 743 CB SER A1007 13.414 -8.856 0.669 1.00 0.00 C ATOM 744 OG SER A1007 12.700 -8.735 -0.549 1.00 0.00 O ATOM 0 H SER A1007 14.607 -6.450 -0.664 1.00 0.00 H new ATOM 0 HA SER A1007 15.254 -8.200 1.565 1.00 0.00 H new ATOM 0 HB2 SER A1007 13.588 -9.909 0.889 1.00 0.00 H new ATOM 0 HB3 SER A1007 12.815 -8.455 1.486 1.00 0.00 H new ATOM 0 HG SER A1007 11.793 -8.413 -0.366 1.00 0.00 H new ATOM 750 N GLY A1008 16.345 -7.909 -1.217 1.00 0.00 N ATOM 751 CA GLY A1008 17.223 -8.402 -2.262 1.00 0.00 C ATOM 752 C GLY A1008 16.555 -8.417 -3.623 1.00 0.00 C ATOM 753 O GLY A1008 17.227 -8.369 -4.652 1.00 0.00 O ATOM 0 H GLY A1008 16.321 -6.894 -1.123 1.00 0.00 H new ATOM 0 HA2 GLY A1008 18.116 -7.778 -2.306 1.00 0.00 H new ATOM 0 HA3 GLY A1008 17.551 -9.411 -2.011 1.00 0.00 H new ATOM 757 N ASN A1009 15.227 -8.482 -3.626 1.00 0.00 N ATOM 758 CA ASN A1009 14.465 -8.497 -4.870 1.00 0.00 C ATOM 759 C ASN A1009 13.689 -7.196 -5.047 1.00 0.00 C ATOM 760 O ASN A1009 12.458 -7.199 -5.100 1.00 0.00 O ATOM 761 CB ASN A1009 13.503 -9.687 -4.887 1.00 0.00 C ATOM 762 CG ASN A1009 14.222 -11.016 -4.774 1.00 0.00 C ATOM 763 OD1 ASN A1009 15.363 -11.158 -5.214 1.00 0.00 O ATOM 764 ND2 ASN A1009 13.557 -12.000 -4.180 1.00 0.00 N ATOM 0 H ASN A1009 14.657 -8.525 -2.781 1.00 0.00 H new ATOM 0 HA ASN A1009 15.167 -8.595 -5.698 1.00 0.00 H new ATOM 0 HB2 ASN A1009 12.795 -9.589 -4.064 1.00 0.00 H new ATOM 0 HB3 ASN A1009 12.923 -9.668 -5.810 1.00 0.00 H new ATOM 0 HD21 ASN A1009 13.990 -12.917 -4.074 1.00 0.00 H new ATOM 0 HD22 ASN A1009 12.613 -11.839 -3.830 1.00 0.00 H new ATOM 771 N THR A1010 14.419 -6.086 -5.140 1.00 0.00 N ATOM 772 CA THR A1010 13.813 -4.770 -5.310 1.00 0.00 C ATOM 773 C THR A1010 12.957 -4.390 -4.103 1.00 0.00 C ATOM 774 O THR A1010 12.157 -5.190 -3.616 1.00 0.00 O ATOM 775 CB THR A1010 12.955 -4.719 -6.586 1.00 0.00 C ATOM 776 OG1 THR A1010 13.793 -4.815 -7.744 1.00 0.00 O ATOM 777 CG2 THR A1010 12.137 -3.436 -6.649 1.00 0.00 C ATOM 0 H THR A1010 15.438 -6.074 -5.100 1.00 0.00 H new ATOM 0 HA THR A1010 14.627 -4.051 -5.399 1.00 0.00 H new ATOM 0 HB THR A1010 12.266 -5.563 -6.563 1.00 0.00 H new ATOM 0 HG1 THR A1010 13.239 -4.784 -8.552 1.00 0.00 H new ATOM 0 HG21 THR A1010 11.541 -3.429 -7.562 1.00 0.00 H new ATOM 0 HG22 THR A1010 11.476 -3.383 -5.784 1.00 0.00 H new ATOM 0 HG23 THR A1010 12.807 -2.577 -6.647 1.00 0.00 H new ATOM 785 N ALA A1011 13.132 -3.162 -3.626 1.00 0.00 N ATOM 786 CA ALA A1011 12.387 -2.675 -2.470 1.00 0.00 C ATOM 787 C ALA A1011 10.888 -2.661 -2.749 1.00 0.00 C ATOM 788 O ALA A1011 10.414 -1.918 -3.608 1.00 0.00 O ATOM 789 CB ALA A1011 12.866 -1.284 -2.083 1.00 0.00 C ATOM 0 H ALA A1011 13.784 -2.485 -4.022 1.00 0.00 H new ATOM 0 HA ALA A1011 12.569 -3.356 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA A1011 12.302 -0.932 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A1011 13.926 -1.321 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A1011 12.713 -0.601 -2.919 1.00 0.00 H new ATOM 795 N HIS A1012 10.147 -3.485 -2.014 1.00 0.00 N ATOM 796 CA HIS A1012 8.699 -3.562 -2.176 1.00 0.00 C ATOM 797 C HIS A1012 7.993 -3.384 -0.836 1.00 0.00 C ATOM 798 O HIS A1012 8.567 -3.650 0.221 1.00 0.00 O ATOM 799 CB HIS A1012 8.306 -4.903 -2.799 1.00 0.00 C ATOM 800 CG HIS A1012 8.694 -6.088 -1.969 1.00 0.00 C ATOM 801 ND1 HIS A1012 7.809 -6.750 -1.143 1.00 0.00 N ATOM 802 CD2 HIS A1012 9.877 -6.734 -1.843 1.00 0.00 C ATOM 803 CE1 HIS A1012 8.431 -7.750 -0.544 1.00 0.00 C ATOM 804 NE2 HIS A1012 9.688 -7.761 -0.952 1.00 0.00 N ATOM 0 H HIS A1012 10.525 -4.108 -1.301 1.00 0.00 H new ATOM 0 HA HIS A1012 8.388 -2.756 -2.840 1.00 0.00 H new ATOM 0 HB2 HIS A1012 7.228 -4.918 -2.957 1.00 0.00 H new ATOM 0 HB3 HIS A1012 8.773 -4.989 -3.780 1.00 0.00 H new ATOM 0 HD1 HIS A1012 6.827 -6.505 -1.015 1.00 0.00 H new ATOM 0 HD2 HIS A1012 10.798 -6.487 -2.349 1.00 0.00 H new ATOM 0 HE1 HIS A1012 7.988 -8.440 0.159 1.00 0.00 H new ATOM 813 N TRP A1013 6.744 -2.931 -0.888 1.00 0.00 N ATOM 814 CA TRP A1013 5.958 -2.709 0.321 1.00 0.00 C ATOM 815 C TRP A1013 5.575 -4.037 0.967 1.00 0.00 C ATOM 816 O TRP A1013 5.306 -5.020 0.275 1.00 0.00 O ATOM 817 CB TRP A1013 4.701 -1.901 -0.006 1.00 0.00 C ATOM 818 CG TRP A1013 4.989 -0.643 -0.768 1.00 0.00 C ATOM 819 CD1 TRP A1013 4.972 -0.487 -2.124 1.00 0.00 C ATOM 820 CD2 TRP A1013 5.342 0.632 -0.220 1.00 0.00 C ATOM 821 NE1 TRP A1013 5.293 0.809 -2.452 1.00 0.00 N ATOM 822 CE2 TRP A1013 5.524 1.515 -1.302 1.00 0.00 C ATOM 823 CE3 TRP A1013 5.521 1.115 1.079 1.00 0.00 C ATOM 824 CZ2 TRP A1013 5.877 2.850 -1.125 1.00 0.00 C ATOM 825 CZ3 TRP A1013 5.872 2.441 1.255 1.00 0.00 C ATOM 826 CH2 TRP A1013 6.046 3.295 0.159 1.00 0.00 C ATOM 0 H TRP A1013 6.254 -2.710 -1.755 1.00 0.00 H new ATOM 0 HA TRP A1013 6.567 -2.145 1.027 1.00 0.00 H new ATOM 0 HB2 TRP A1013 4.019 -2.522 -0.587 1.00 0.00 H new ATOM 0 HB3 TRP A1013 4.189 -1.647 0.922 1.00 0.00 H new ATOM 0 HD1 TRP A1013 4.741 -1.267 -2.835 1.00 0.00 H new ATOM 0 HE1 TRP A1013 5.350 1.184 -3.399 1.00 0.00 H new ATOM 0 HE3 TRP A1013 5.388 0.464 1.931 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 6.013 3.510 -1.969 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 6.014 2.824 2.255 1.00 0.00 H new ATOM 0 HH2 TRP A1013 6.319 4.326 0.330 1.00 0.00 H new ATOM 837 N SER A1014 5.576 -4.065 2.296 1.00 0.00 N ATOM 838 CA SER A1014 5.373 -5.305 3.038 1.00 0.00 C ATOM 839 C SER A1014 3.910 -5.739 3.005 1.00 0.00 C ATOM 840 O SER A1014 3.533 -6.723 3.642 1.00 0.00 O ATOM 841 CB SER A1014 5.832 -5.136 4.487 1.00 0.00 C ATOM 842 OG SER A1014 5.115 -4.099 5.132 1.00 0.00 O ATOM 0 H SER A1014 5.715 -3.242 2.882 1.00 0.00 H new ATOM 0 HA SER A1014 5.969 -6.081 2.559 1.00 0.00 H new ATOM 0 HB2 SER A1014 5.690 -6.071 5.028 1.00 0.00 H new ATOM 0 HB3 SER A1014 6.899 -4.913 4.510 1.00 0.00 H new ATOM 0 HG SER A1014 5.426 -4.013 6.057 1.00 0.00 H new ATOM 848 N THR A1015 3.090 -5.001 2.263 1.00 0.00 N ATOM 849 CA THR A1015 1.668 -5.311 2.158 1.00 0.00 C ATOM 850 C THR A1015 1.438 -6.704 1.585 1.00 0.00 C ATOM 851 O THR A1015 2.066 -7.096 0.601 1.00 0.00 O ATOM 852 CB THR A1015 0.933 -4.288 1.272 1.00 0.00 C ATOM 853 OG1 THR A1015 1.573 -4.195 -0.006 1.00 0.00 O ATOM 854 CG2 THR A1015 0.907 -2.921 1.933 1.00 0.00 C ATOM 0 H THR A1015 3.385 -4.185 1.726 1.00 0.00 H new ATOM 0 HA THR A1015 1.269 -5.268 3.171 1.00 0.00 H new ATOM 0 HB THR A1015 -0.094 -4.629 1.138 1.00 0.00 H new ATOM 0 HG1 THR A1015 1.098 -3.544 -0.563 1.00 0.00 H new ATOM 0 HG21 THR A1015 0.383 -2.215 1.289 1.00 0.00 H new ATOM 0 HG22 THR A1015 0.391 -2.990 2.891 1.00 0.00 H new ATOM 0 HG23 THR A1015 1.928 -2.575 2.095 1.00 0.00 H new ATOM 862 N LYS A1016 0.496 -7.429 2.182 1.00 0.00 N ATOM 863 CA LYS A1016 -0.023 -8.652 1.582 1.00 0.00 C ATOM 864 C LYS A1016 -1.143 -8.322 0.597 1.00 0.00 C ATOM 865 O LYS A1016 -1.777 -7.273 0.709 1.00 0.00 O ATOM 866 CB LYS A1016 -0.542 -9.602 2.666 1.00 0.00 C ATOM 867 CG LYS A1016 0.552 -10.192 3.545 1.00 0.00 C ATOM 868 CD LYS A1016 1.142 -9.154 4.488 1.00 0.00 C ATOM 869 CE LYS A1016 2.236 -9.749 5.358 1.00 0.00 C ATOM 870 NZ LYS A1016 1.732 -10.870 6.197 1.00 0.00 N ATOM 0 H LYS A1016 0.077 -7.190 3.081 1.00 0.00 H new ATOM 0 HA LYS A1016 0.788 -9.144 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -1.251 -9.065 3.296 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -1.090 -10.415 2.190 1.00 0.00 H new ATOM 0 HG2 LYS A1016 0.145 -11.020 4.125 1.00 0.00 H new ATOM 0 HG3 LYS A1016 1.342 -10.602 2.916 1.00 0.00 H new ATOM 0 HD2 LYS A1016 1.547 -8.324 3.909 1.00 0.00 H new ATOM 0 HD3 LYS A1016 0.354 -8.746 5.121 1.00 0.00 H new ATOM 0 HE2 LYS A1016 3.048 -10.106 4.725 1.00 0.00 H new ATOM 0 HE3 LYS A1016 2.651 -8.973 6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 2.429 -11.091 6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 0.832 -10.595 6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 1.582 -11.709 5.601 1.00 0.00 H new ATOM 884 N PRO A1017 -1.389 -9.206 -0.389 1.00 0.00 N ATOM 885 CA PRO A1017 -2.391 -8.970 -1.434 1.00 0.00 C ATOM 886 C PRO A1017 -3.692 -8.388 -0.882 1.00 0.00 C ATOM 887 O PRO A1017 -4.509 -9.111 -0.310 1.00 0.00 O ATOM 888 CB PRO A1017 -2.625 -10.367 -2.003 1.00 0.00 C ATOM 889 CG PRO A1017 -1.319 -11.063 -1.828 1.00 0.00 C ATOM 890 CD PRO A1017 -0.706 -10.504 -0.569 1.00 0.00 C ATOM 0 HA PRO A1017 -2.054 -8.240 -2.170 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -3.425 -10.883 -1.472 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -2.915 -10.325 -3.053 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -1.461 -12.141 -1.746 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -0.669 -10.891 -2.686 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -0.871 -11.164 0.283 1.00 0.00 H new ATOM 0 HD3 PRO A1017 0.372 -10.378 -0.671 1.00 0.00 H new ATOM 898 N PRO A1018 -3.892 -7.066 -1.034 1.00 0.00 N ATOM 899 CA PRO A1018 -5.049 -6.370 -0.468 1.00 0.00 C ATOM 900 C PRO A1018 -6.295 -6.507 -1.336 1.00 0.00 C ATOM 901 O PRO A1018 -6.206 -6.556 -2.562 1.00 0.00 O ATOM 902 CB PRO A1018 -4.582 -4.918 -0.428 1.00 0.00 C ATOM 903 CG PRO A1018 -3.655 -4.793 -1.589 1.00 0.00 C ATOM 904 CD PRO A1018 -2.995 -6.139 -1.756 1.00 0.00 C ATOM 0 HA PRO A1018 -5.340 -6.773 0.502 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -5.422 -4.228 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -4.077 -4.689 0.510 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -4.199 -4.513 -2.491 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -2.912 -4.016 -1.410 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -2.902 -6.411 -2.807 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -1.990 -6.146 -1.335 1.00 0.00 H new ATOM 912 N ILE A1019 -7.456 -6.563 -0.690 1.00 0.00 N ATOM 913 CA ILE A1019 -8.724 -6.659 -1.403 1.00 0.00 C ATOM 914 C ILE A1019 -9.770 -5.744 -0.772 1.00 0.00 C ATOM 915 O ILE A1019 -9.597 -5.272 0.352 1.00 0.00 O ATOM 916 CB ILE A1019 -9.262 -8.107 -1.412 1.00 0.00 C ATOM 917 CG1 ILE A1019 -8.132 -9.095 -1.714 1.00 0.00 C ATOM 918 CG2 ILE A1019 -10.383 -8.252 -2.431 1.00 0.00 C ATOM 919 CD1 ILE A1019 -8.552 -10.547 -1.620 1.00 0.00 C ATOM 0 H ILE A1019 -7.544 -6.543 0.326 1.00 0.00 H new ATOM 0 HA ILE A1019 -8.536 -6.347 -2.430 1.00 0.00 H new ATOM 0 HB ILE A1019 -9.663 -8.333 -0.424 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -7.749 -8.901 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -7.311 -8.918 -1.019 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -10.750 -9.278 -2.424 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -11.197 -7.573 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -10.006 -8.008 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -7.700 -11.188 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -8.907 -10.759 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -9.352 -10.741 -2.334 1.00 0.00 H new ATOM 931 N CYS A1020 -10.853 -5.497 -1.499 1.00 0.00 N ATOM 932 CA CYS A1020 -11.934 -4.654 -1.002 1.00 0.00 C ATOM 933 C CYS A1020 -13.264 -5.402 -1.039 1.00 0.00 C ATOM 934 O CYS A1020 -13.728 -5.806 -2.105 1.00 0.00 O ATOM 935 CB CYS A1020 -12.030 -3.371 -1.831 1.00 0.00 C ATOM 936 SG CYS A1020 -13.250 -2.172 -1.208 1.00 0.00 S ATOM 0 H CYS A1020 -11.006 -5.869 -2.436 1.00 0.00 H new ATOM 0 HA CYS A1020 -11.714 -4.392 0.033 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -11.050 -2.895 -1.858 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -12.286 -3.633 -2.858 1.00 0.00 H new ATOM 941 N GLN A1021 -13.862 -5.599 0.132 1.00 0.00 N ATOM 942 CA GLN A1021 -15.084 -6.390 0.243 1.00 0.00 C ATOM 943 C GLN A1021 -16.161 -5.626 1.005 1.00 0.00 C ATOM 944 O GLN A1021 -15.959 -5.227 2.152 1.00 0.00 O ATOM 945 CB GLN A1021 -14.792 -7.720 0.942 1.00 0.00 C ATOM 946 CG GLN A1021 -16.012 -8.615 1.087 1.00 0.00 C ATOM 947 CD GLN A1021 -16.622 -8.994 -0.249 1.00 0.00 C ATOM 948 OE1 GLN A1021 -17.571 -8.191 -0.715 1.00 0.00 O flip ATOM 949 NE2 GLN A1021 -16.244 -9.998 -0.854 1.00 0.00 N flip ATOM 0 H GLN A1021 -13.521 -5.223 1.017 1.00 0.00 H new ATOM 0 HA GLN A1021 -15.451 -6.589 -0.764 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -14.025 -8.254 0.381 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -14.381 -7.518 1.931 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -15.731 -9.521 1.624 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -16.761 -8.105 1.693 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -15.511 -10.587 -0.458 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -16.664 -10.241 -1.751 1.00 0.00 H new ATOM 958 N ARG A1022 -17.305 -5.426 0.357 1.00 0.00 N ATOM 959 CA ARG A1022 -18.412 -4.692 0.962 1.00 0.00 C ATOM 960 C ARG A1022 -18.831 -5.326 2.283 1.00 0.00 C ATOM 961 O ARG A1022 -19.287 -6.468 2.319 1.00 0.00 O ATOM 962 CB ARG A1022 -19.604 -4.644 0.003 1.00 0.00 C ATOM 963 CG ARG A1022 -20.789 -3.864 0.547 1.00 0.00 C ATOM 964 CD ARG A1022 -21.925 -3.798 -0.462 1.00 0.00 C ATOM 965 NE ARG A1022 -21.522 -3.130 -1.697 1.00 0.00 N ATOM 966 CZ ARG A1022 -22.367 -2.816 -2.675 1.00 0.00 C ATOM 967 NH1 ARG A1022 -23.656 -3.111 -2.562 1.00 0.00 N ATOM 968 NH2 ARG A1022 -21.924 -2.209 -3.766 1.00 0.00 N ATOM 0 H ARG A1022 -17.490 -5.762 -0.588 1.00 0.00 H new ATOM 0 HA ARG A1022 -18.074 -3.675 1.162 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -19.285 -4.196 -0.938 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -19.921 -5.662 -0.221 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -21.144 -4.333 1.465 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -20.473 -2.854 0.806 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -22.266 -4.808 -0.691 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -22.770 -3.268 -0.022 1.00 0.00 H new ATOM 0 HE ARG A1022 -20.538 -2.891 -1.816 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -24.000 -3.579 -1.724 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -24.302 -2.869 -3.313 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -20.934 -1.982 -3.857 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -22.573 -1.969 -4.515 1.00 0.00 H new ATOM 982 N ILE A1023 -18.672 -4.573 3.367 1.00 0.00 N ATOM 983 CA ILE A1023 -19.027 -5.050 4.692 1.00 0.00 C ATOM 984 C ILE A1023 -20.538 -5.005 4.909 1.00 0.00 C ATOM 985 O ILE A1023 -21.195 -4.029 4.548 1.00 0.00 O ATOM 986 CB ILE A1023 -18.334 -4.207 5.776 1.00 0.00 C ATOM 987 CG1 ILE A1023 -18.509 -2.714 5.482 1.00 0.00 C ATOM 988 CG2 ILE A1023 -16.860 -4.572 5.869 1.00 0.00 C ATOM 989 CD1 ILE A1023 -17.902 -1.809 6.532 1.00 0.00 C ATOM 0 H ILE A1023 -18.297 -3.625 3.349 1.00 0.00 H new ATOM 0 HA ILE A1023 -18.691 -6.084 4.767 1.00 0.00 H new ATOM 0 HB ILE A1023 -18.799 -4.422 6.738 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -18.057 -2.488 4.516 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -19.573 -2.493 5.396 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -16.383 -3.967 6.640 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -16.762 -5.627 6.123 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -16.377 -4.383 4.910 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -18.066 -0.768 6.254 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -18.370 -2.005 7.496 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -16.831 -2.001 6.603 1.00 0.00 H new ATOM 1001 N PRO A1024 -21.110 -6.066 5.507 1.00 0.00 N ATOM 1002 CA PRO A1024 -22.550 -6.139 5.778 1.00 0.00 C ATOM 1003 C PRO A1024 -22.978 -5.187 6.891 1.00 0.00 C ATOM 1004 O PRO A1024 -22.933 -5.598 8.070 1.00 0.00 O ATOM 1005 CB PRO A1024 -22.757 -7.593 6.205 1.00 0.00 C ATOM 1006 CG PRO A1024 -21.442 -8.015 6.760 1.00 0.00 C ATOM 1007 CD PRO A1024 -20.400 -7.276 5.966 1.00 0.00 C ATOM 1008 OXT PRO A1024 -23.354 -4.039 6.575 1.00 0.00 O ATOM 0 HA PRO A1024 -23.145 -5.848 4.912 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -23.547 -7.678 6.951 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -23.048 -8.216 5.360 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -21.370 -7.772 7.820 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -21.309 -9.093 6.671 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -19.533 -7.025 6.577 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -20.038 -7.871 5.128 1.00 0.00 H new