USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=16 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 Single : A 962 SER OG : rot -26:sc= 0.0525 USER MOD Single : A 964 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 THR OG1 : rot 180:sc= -0.555 USER MOD Single : A 971 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.7) USER MOD Single : A 973 MET CE :methyl -141:sc= -0.21 (180deg=-0.801) USER MOD Single : A 975 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 978 THR OG1 : rot 180:sc= 0 USER MOD Single : A 981 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.013) USER MOD Single : A 984 SER OG : rot -74:sc= 1.2 USER MOD Single : A 987 THR OG1 : rot 130:sc= -2.21! USER MOD Single : A 988 TYR OH : rot -30:sc= -0.28 USER MOD Single : A 989 SER OG : rot 2:sc= 0.11 USER MOD Single : A 991 THR OG1 : rot 180:sc=-0.00627 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 994 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-5.9!) USER MOD Single : A 999 HIS : no HD1:sc=-0.00311 K(o=-0.0031,f=-2.4!) USER MOD Single : A1000 SER OG : rot -40:sc= 0.994 USER MOD Single : A1001 SER OG : rot 110:sc= 0.0972 USER MOD Single : A1007 SER OG : rot -6:sc= 0.97 USER MOD Single : A1009 ASN : amide:sc= -0.0406 X(o=-0.041,f=-0.12) USER MOD Single : A1010 THR OG1 : rot 40:sc= 1.21 USER MOD Single : A1012 HIS : no HD1:sc= -4.98! K(o=-5!,f=-1.2) USER MOD Single : A1014 SER OG : rot 73:sc= 0.0107 USER MOD Single : A1015 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A1016 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1021 GLN : amide:sc= -1.03 K(o=-1,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 962 13.222 3.859 -4.119 1.00 0.00 N ATOM 76 CA SER A 962 13.337 2.765 -5.078 1.00 0.00 C ATOM 77 C SER A 962 12.276 1.699 -4.818 1.00 0.00 C ATOM 78 O SER A 962 12.474 0.525 -5.133 1.00 0.00 O ATOM 79 CB SER A 962 14.731 2.139 -5.008 1.00 0.00 C ATOM 80 OG SER A 962 14.995 1.623 -3.714 1.00 0.00 O ATOM 0 HA SER A 962 13.180 3.174 -6.076 1.00 0.00 H new ATOM 0 HB2 SER A 962 14.811 1.340 -5.745 1.00 0.00 H new ATOM 0 HB3 SER A 962 15.482 2.886 -5.265 1.00 0.00 H new ATOM 0 HG SER A 962 14.459 2.108 -3.053 1.00 0.00 H new ATOM 86 N CYS A 963 11.154 2.113 -4.239 1.00 0.00 N ATOM 87 CA CYS A 963 10.079 1.187 -3.907 1.00 0.00 C ATOM 88 C CYS A 963 9.032 1.150 -5.017 1.00 0.00 C ATOM 89 O CYS A 963 8.600 2.193 -5.509 1.00 0.00 O ATOM 90 CB CYS A 963 9.426 1.587 -2.583 1.00 0.00 C ATOM 91 SG CYS A 963 10.600 1.775 -1.203 1.00 0.00 S ATOM 0 H CYS A 963 10.966 3.084 -3.990 1.00 0.00 H new ATOM 0 HA CYS A 963 10.508 0.190 -3.805 1.00 0.00 H new ATOM 0 HB2 CYS A 963 8.892 2.527 -2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 963 8.683 0.836 -2.315 1.00 0.00 H new ATOM 96 N LYS A 964 8.627 -0.055 -5.403 1.00 0.00 N ATOM 97 CA LYS A 964 7.615 -0.226 -6.440 1.00 0.00 C ATOM 98 C LYS A 964 6.212 -0.119 -5.852 1.00 0.00 C ATOM 99 O LYS A 964 5.702 -1.074 -5.266 1.00 0.00 O ATOM 100 CB LYS A 964 7.790 -1.577 -7.134 1.00 0.00 C ATOM 101 CG LYS A 964 9.149 -1.751 -7.795 1.00 0.00 C ATOM 102 CD LYS A 964 9.274 -3.105 -8.477 1.00 0.00 C ATOM 103 CE LYS A 964 8.314 -3.234 -9.649 1.00 0.00 C ATOM 104 NZ LYS A 964 8.435 -4.555 -10.324 1.00 0.00 N ATOM 0 H LYS A 964 8.984 -0.928 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 964 7.743 0.570 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 964 7.646 -2.373 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 964 7.011 -1.692 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 964 9.301 -0.959 -8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 964 9.934 -1.647 -7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 964 10.297 -3.243 -8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 964 9.075 -3.896 -7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 964 7.291 -3.099 -9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 964 8.511 -2.439 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 7.764 -4.602 -11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 9.404 -4.674 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 8.222 -5.313 -9.644 1.00 0.00 H new ATOM 118 N THR A 965 5.600 1.052 -6.002 1.00 0.00 N ATOM 119 CA THR A 965 4.285 1.309 -5.422 1.00 0.00 C ATOM 120 C THR A 965 3.250 0.297 -5.903 1.00 0.00 C ATOM 121 O THR A 965 3.337 -0.214 -7.020 1.00 0.00 O ATOM 122 CB THR A 965 3.782 2.729 -5.746 1.00 0.00 C ATOM 123 OG1 THR A 965 2.350 2.752 -5.762 1.00 0.00 O ATOM 124 CG2 THR A 965 4.318 3.211 -7.086 1.00 0.00 C ATOM 0 H THR A 965 5.993 1.838 -6.520 1.00 0.00 H new ATOM 0 HA THR A 965 4.407 1.213 -4.343 1.00 0.00 H new ATOM 0 HB THR A 965 4.148 3.400 -4.969 1.00 0.00 H new ATOM 0 HG1 THR A 965 2.040 3.659 -5.967 1.00 0.00 H new ATOM 0 HG21 THR A 965 3.946 4.216 -7.287 1.00 0.00 H new ATOM 0 HG22 THR A 965 5.408 3.227 -7.058 1.00 0.00 H new ATOM 0 HG23 THR A 965 3.985 2.536 -7.875 1.00 0.00 H new ATOM 132 N PRO A 966 2.253 0.001 -5.053 1.00 0.00 N ATOM 133 CA PRO A 966 1.182 -0.946 -5.378 1.00 0.00 C ATOM 134 C PRO A 966 0.157 -0.355 -6.345 1.00 0.00 C ATOM 135 O PRO A 966 -0.181 0.826 -6.254 1.00 0.00 O ATOM 136 CB PRO A 966 0.538 -1.215 -4.019 1.00 0.00 C ATOM 137 CG PRO A 966 0.761 0.040 -3.248 1.00 0.00 C ATOM 138 CD PRO A 966 2.096 0.571 -3.699 1.00 0.00 C ATOM 0 HA PRO A 966 1.559 -1.839 -5.877 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -0.525 -1.436 -4.120 1.00 0.00 H new ATOM 0 HB3 PRO A 966 0.996 -2.072 -3.525 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -0.032 0.763 -3.441 1.00 0.00 H new ATOM 0 HG3 PRO A 966 0.761 -0.155 -2.176 1.00 0.00 H new ATOM 0 HD2 PRO A 966 2.109 1.661 -3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 966 2.900 0.254 -3.034 1.00 0.00 H new ATOM 146 N PRO A 967 -0.360 -1.175 -7.277 1.00 0.00 N ATOM 147 CA PRO A 967 -1.393 -0.743 -8.223 1.00 0.00 C ATOM 148 C PRO A 967 -2.760 -0.603 -7.562 1.00 0.00 C ATOM 149 O PRO A 967 -3.104 -1.362 -6.657 1.00 0.00 O ATOM 150 CB PRO A 967 -1.414 -1.870 -9.257 1.00 0.00 C ATOM 151 CG PRO A 967 -0.970 -3.077 -8.505 1.00 0.00 C ATOM 152 CD PRO A 967 0.016 -2.589 -7.477 1.00 0.00 C ATOM 0 HA PRO A 967 -1.178 0.239 -8.644 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -2.412 -2.007 -9.674 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -0.747 -1.655 -10.092 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -1.816 -3.573 -8.029 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -0.509 -3.805 -9.173 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -0.057 -3.158 -6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 967 1.043 -2.685 -7.830 1.00 0.00 H new ATOM 160 N ASP A 968 -3.535 0.377 -8.019 1.00 0.00 N ATOM 161 CA ASP A 968 -4.855 0.635 -7.454 1.00 0.00 C ATOM 162 C ASP A 968 -5.835 -0.479 -7.823 1.00 0.00 C ATOM 163 O ASP A 968 -6.101 -0.717 -9.001 1.00 0.00 O ATOM 164 CB ASP A 968 -5.387 1.985 -7.943 1.00 0.00 C ATOM 165 CG ASP A 968 -5.446 2.072 -9.456 1.00 0.00 C ATOM 166 OD1 ASP A 968 -4.434 2.475 -10.067 1.00 0.00 O ATOM 167 OD2 ASP A 968 -6.505 1.739 -10.029 1.00 0.00 O ATOM 0 H ASP A 968 -3.271 1.005 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 968 -4.759 0.662 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -6.384 2.149 -7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -4.750 2.783 -7.561 1.00 0.00 H new ATOM 172 N PRO A 969 -6.385 -1.178 -6.813 1.00 0.00 N ATOM 173 CA PRO A 969 -7.338 -2.269 -7.035 1.00 0.00 C ATOM 174 C PRO A 969 -8.732 -1.762 -7.385 1.00 0.00 C ATOM 175 O PRO A 969 -8.913 -0.586 -7.705 1.00 0.00 O ATOM 176 CB PRO A 969 -7.355 -2.992 -5.689 1.00 0.00 C ATOM 177 CG PRO A 969 -7.054 -1.927 -4.692 1.00 0.00 C ATOM 178 CD PRO A 969 -6.119 -0.964 -5.375 1.00 0.00 C ATOM 0 HA PRO A 969 -7.050 -2.901 -7.875 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -8.324 -3.453 -5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -6.611 -3.788 -5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -7.967 -1.423 -4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -6.594 -2.349 -3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -6.319 0.066 -5.080 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -5.078 -1.171 -5.125 1.00 0.00 H new ATOM 186 N VAL A 970 -9.715 -2.655 -7.325 1.00 0.00 N ATOM 187 CA VAL A 970 -11.092 -2.300 -7.645 1.00 0.00 C ATOM 188 C VAL A 970 -11.706 -1.432 -6.550 1.00 0.00 C ATOM 189 O VAL A 970 -11.536 -1.703 -5.361 1.00 0.00 O ATOM 190 CB VAL A 970 -11.964 -3.555 -7.842 1.00 0.00 C ATOM 191 CG1 VAL A 970 -12.017 -4.380 -6.565 1.00 0.00 C ATOM 192 CG2 VAL A 970 -13.365 -3.171 -8.296 1.00 0.00 C ATOM 0 H VAL A 970 -9.583 -3.630 -7.057 1.00 0.00 H new ATOM 0 HA VAL A 970 -11.065 -1.736 -8.577 1.00 0.00 H new ATOM 0 HB VAL A 970 -11.510 -4.166 -8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -12.638 -5.261 -6.727 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -11.009 -4.692 -6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -12.442 -3.779 -5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -13.964 -4.072 -8.429 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -13.830 -2.534 -7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -13.306 -2.632 -9.241 1.00 0.00 H new ATOM 202 N ASN A 971 -12.424 -0.390 -6.962 1.00 0.00 N ATOM 203 CA ASN A 971 -13.113 0.490 -6.023 1.00 0.00 C ATOM 204 C ASN A 971 -12.149 1.034 -4.972 1.00 0.00 C ATOM 205 O ASN A 971 -12.568 1.456 -3.895 1.00 0.00 O ATOM 206 CB ASN A 971 -14.257 -0.260 -5.338 1.00 0.00 C ATOM 207 CG ASN A 971 -15.246 -0.842 -6.329 1.00 0.00 C ATOM 208 OD1 ASN A 971 -15.441 -0.305 -7.419 1.00 0.00 O ATOM 209 ND2 ASN A 971 -15.878 -1.948 -5.952 1.00 0.00 N ATOM 0 H ASN A 971 -12.544 -0.134 -7.942 1.00 0.00 H new ATOM 0 HA ASN A 971 -13.519 1.331 -6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -13.846 -1.063 -4.726 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -14.780 0.419 -4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -16.556 -2.386 -6.576 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -15.685 -2.359 -5.039 1.00 0.00 H new ATOM 216 N GLY A 972 -10.857 1.008 -5.284 1.00 0.00 N ATOM 217 CA GLY A 972 -9.854 1.394 -4.308 1.00 0.00 C ATOM 218 C GLY A 972 -8.784 2.294 -4.892 1.00 0.00 C ATOM 219 O GLY A 972 -8.568 2.312 -6.105 1.00 0.00 O ATOM 0 H GLY A 972 -10.487 0.727 -6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -10.340 1.906 -3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -9.386 0.498 -3.900 1.00 0.00 H new ATOM 223 N MET A 973 -8.106 3.038 -4.023 1.00 0.00 N ATOM 224 CA MET A 973 -7.018 3.914 -4.443 1.00 0.00 C ATOM 225 C MET A 973 -6.052 4.166 -3.289 1.00 0.00 C ATOM 226 O MET A 973 -6.465 4.535 -2.189 1.00 0.00 O ATOM 227 CB MET A 973 -7.575 5.242 -4.960 1.00 0.00 C ATOM 228 CG MET A 973 -8.450 5.972 -3.952 1.00 0.00 C ATOM 229 SD MET A 973 -9.063 7.548 -4.575 1.00 0.00 S ATOM 230 CE MET A 973 -7.527 8.426 -4.852 1.00 0.00 C ATOM 0 H MET A 973 -8.292 3.051 -3.020 1.00 0.00 H new ATOM 0 HA MET A 973 -6.474 3.421 -5.249 1.00 0.00 H new ATOM 0 HB2 MET A 973 -6.744 5.889 -5.243 1.00 0.00 H new ATOM 0 HB3 MET A 973 -8.155 5.055 -5.864 1.00 0.00 H new ATOM 0 HG2 MET A 973 -9.295 5.338 -3.685 1.00 0.00 H new ATOM 0 HG3 MET A 973 -7.880 6.144 -3.039 1.00 0.00 H new ATOM 0 HE1 MET A 973 -7.647 9.470 -4.561 1.00 0.00 H new ATOM 0 HE2 MET A 973 -6.736 7.972 -4.255 1.00 0.00 H new ATOM 0 HE3 MET A 973 -7.262 8.371 -5.908 1.00 0.00 H new ATOM 240 N VAL A 974 -4.765 3.952 -3.543 1.00 0.00 N ATOM 241 CA VAL A 974 -3.747 4.101 -2.510 1.00 0.00 C ATOM 242 C VAL A 974 -3.524 5.565 -2.158 1.00 0.00 C ATOM 243 O VAL A 974 -4.106 6.460 -2.773 1.00 0.00 O ATOM 244 CB VAL A 974 -2.405 3.481 -2.941 1.00 0.00 C ATOM 245 CG1 VAL A 974 -2.486 1.965 -2.920 1.00 0.00 C ATOM 246 CG2 VAL A 974 -1.996 3.987 -4.316 1.00 0.00 C ATOM 0 H VAL A 974 -4.403 3.675 -4.455 1.00 0.00 H new ATOM 0 HA VAL A 974 -4.118 3.571 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 974 -1.639 3.788 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -1.528 1.545 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -2.723 1.627 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -3.265 1.633 -3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -1.045 3.537 -4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -2.759 3.716 -5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -1.890 5.071 -4.288 1.00 0.00 H new ATOM 256 N HIS A 975 -2.676 5.801 -1.162 1.00 0.00 N ATOM 257 CA HIS A 975 -2.387 7.155 -0.707 1.00 0.00 C ATOM 258 C HIS A 975 -0.951 7.264 -0.209 1.00 0.00 C ATOM 259 O HIS A 975 -0.667 7.002 0.960 1.00 0.00 O ATOM 260 CB HIS A 975 -3.358 7.556 0.407 1.00 0.00 C ATOM 261 CG HIS A 975 -3.198 8.974 0.861 1.00 0.00 C ATOM 262 ND1 HIS A 975 -3.998 10.005 0.413 1.00 0.00 N ATOM 263 CD2 HIS A 975 -2.326 9.531 1.734 1.00 0.00 C ATOM 264 CE1 HIS A 975 -3.623 11.133 0.989 1.00 0.00 C ATOM 265 NE2 HIS A 975 -2.612 10.873 1.795 1.00 0.00 N ATOM 0 H HIS A 975 -2.177 5.071 -0.654 1.00 0.00 H new ATOM 0 HA HIS A 975 -2.512 7.833 -1.551 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -4.380 7.409 0.057 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -3.214 6.892 1.259 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -1.550 9.016 2.281 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -4.069 12.103 0.827 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -2.122 11.558 2.371 1.00 0.00 H new ATOM 274 N VAL A 976 -0.047 7.654 -1.102 1.00 0.00 N ATOM 275 CA VAL A 976 1.352 7.821 -0.751 1.00 0.00 C ATOM 276 C VAL A 976 1.559 9.055 0.119 1.00 0.00 C ATOM 277 O VAL A 976 1.000 10.118 -0.156 1.00 0.00 O ATOM 278 CB VAL A 976 2.223 7.940 -2.012 1.00 0.00 C ATOM 279 CG1 VAL A 976 2.359 6.589 -2.700 1.00 0.00 C ATOM 280 CG2 VAL A 976 1.652 8.979 -2.964 1.00 0.00 C ATOM 0 H VAL A 976 -0.263 7.860 -2.077 1.00 0.00 H new ATOM 0 HA VAL A 976 1.651 6.937 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 976 3.218 8.269 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 976 2.979 6.695 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 976 2.823 5.878 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 976 1.372 6.226 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 976 2.284 9.047 -3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 976 0.644 8.687 -3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 976 1.618 9.948 -2.467 1.00 0.00 H new ATOM 290 N ILE A 977 2.353 8.905 1.175 1.00 0.00 N ATOM 291 CA ILE A 977 2.600 9.999 2.110 1.00 0.00 C ATOM 292 C ILE A 977 3.036 11.263 1.373 1.00 0.00 C ATOM 293 O ILE A 977 2.276 12.227 1.271 1.00 0.00 O ATOM 294 CB ILE A 977 3.676 9.620 3.147 1.00 0.00 C ATOM 295 CG1 ILE A 977 3.262 8.358 3.911 1.00 0.00 C ATOM 296 CG2 ILE A 977 3.921 10.775 4.108 1.00 0.00 C ATOM 297 CD1 ILE A 977 1.969 8.509 4.685 1.00 0.00 C ATOM 0 H ILE A 977 2.837 8.037 1.405 1.00 0.00 H new ATOM 0 HA ILE A 977 1.661 10.192 2.629 1.00 0.00 H new ATOM 0 HB ILE A 977 4.607 9.411 2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 977 3.158 7.535 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 977 4.059 8.085 4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 977 4.683 10.490 4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 977 4.260 11.647 3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 977 2.995 11.016 4.631 1.00 0.00 H new ATOM 0 HD11 ILE A 977 1.742 7.575 5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 977 2.074 9.310 5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 977 1.159 8.751 3.997 1.00 0.00 H new ATOM 309 N THR A 978 4.260 11.245 0.855 1.00 0.00 N ATOM 310 CA THR A 978 4.782 12.368 0.087 1.00 0.00 C ATOM 311 C THR A 978 5.715 11.883 -1.017 1.00 0.00 C ATOM 312 O THR A 978 5.773 12.469 -2.099 1.00 0.00 O ATOM 313 CB THR A 978 5.540 13.362 0.988 1.00 0.00 C ATOM 314 OG1 THR A 978 4.689 13.806 2.051 1.00 0.00 O ATOM 315 CG2 THR A 978 6.024 14.562 0.188 1.00 0.00 C ATOM 0 H THR A 978 4.909 10.464 0.954 1.00 0.00 H new ATOM 0 HA THR A 978 3.927 12.877 -0.358 1.00 0.00 H new ATOM 0 HB THR A 978 6.407 12.850 1.404 1.00 0.00 H new ATOM 0 HG1 THR A 978 5.178 14.436 2.620 1.00 0.00 H new ATOM 0 HG21 THR A 978 6.556 15.248 0.847 1.00 0.00 H new ATOM 0 HG22 THR A 978 6.695 14.226 -0.603 1.00 0.00 H new ATOM 0 HG23 THR A 978 5.169 15.073 -0.254 1.00 0.00 H new ATOM 323 N ASP A 979 6.437 10.804 -0.737 1.00 0.00 N ATOM 324 CA ASP A 979 7.340 10.209 -1.716 1.00 0.00 C ATOM 325 C ASP A 979 7.304 8.687 -1.627 1.00 0.00 C ATOM 326 O ASP A 979 6.574 8.121 -0.814 1.00 0.00 O ATOM 327 CB ASP A 979 8.768 10.711 -1.496 1.00 0.00 C ATOM 328 CG ASP A 979 8.881 12.217 -1.631 1.00 0.00 C ATOM 329 OD1 ASP A 979 9.127 12.695 -2.759 1.00 0.00 O ATOM 330 OD2 ASP A 979 8.721 12.918 -0.610 1.00 0.00 O ATOM 0 H ASP A 979 6.415 10.322 0.162 1.00 0.00 H new ATOM 0 HA ASP A 979 7.009 10.507 -2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 979 9.106 10.412 -0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 979 9.432 10.234 -2.216 1.00 0.00 H new ATOM 335 N ILE A 980 8.097 8.030 -2.468 1.00 0.00 N ATOM 336 CA ILE A 980 8.159 6.575 -2.478 1.00 0.00 C ATOM 337 C ILE A 980 9.573 6.091 -2.169 1.00 0.00 C ATOM 338 O ILE A 980 10.231 5.475 -3.008 1.00 0.00 O ATOM 339 CB ILE A 980 7.708 6.000 -3.837 1.00 0.00 C ATOM 340 CG1 ILE A 980 6.393 6.649 -4.276 1.00 0.00 C ATOM 341 CG2 ILE A 980 7.554 4.488 -3.748 1.00 0.00 C ATOM 342 CD1 ILE A 980 5.929 6.212 -5.649 1.00 0.00 C ATOM 0 H ILE A 980 8.705 8.483 -3.150 1.00 0.00 H new ATOM 0 HA ILE A 980 7.478 6.219 -1.705 1.00 0.00 H new ATOM 0 HB ILE A 980 8.471 6.225 -4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 980 5.619 6.410 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 980 6.513 7.732 -4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 980 7.235 4.097 -4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 980 8.509 4.041 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 980 6.807 4.242 -2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 980 4.992 6.712 -5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 980 6.684 6.476 -6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 980 5.776 5.133 -5.655 1.00 0.00 H new ATOM 354 N GLN A 981 10.035 6.387 -0.960 1.00 0.00 N ATOM 355 CA GLN A 981 11.383 6.015 -0.541 1.00 0.00 C ATOM 356 C GLN A 981 11.338 5.058 0.645 1.00 0.00 C ATOM 357 O GLN A 981 10.406 5.090 1.447 1.00 0.00 O ATOM 358 CB GLN A 981 12.183 7.267 -0.174 1.00 0.00 C ATOM 359 CG GLN A 981 11.561 8.080 0.950 1.00 0.00 C ATOM 360 CD GLN A 981 12.339 9.344 1.260 1.00 0.00 C ATOM 361 OE1 GLN A 981 12.364 9.806 2.400 1.00 0.00 O ATOM 362 NE2 GLN A 981 12.978 9.913 0.243 1.00 0.00 N ATOM 0 H GLN A 981 9.496 6.884 -0.251 1.00 0.00 H new ATOM 0 HA GLN A 981 11.873 5.508 -1.373 1.00 0.00 H new ATOM 0 HB2 GLN A 981 13.191 6.971 0.118 1.00 0.00 H new ATOM 0 HB3 GLN A 981 12.279 7.898 -1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 981 10.539 8.345 0.678 1.00 0.00 H new ATOM 0 HG3 GLN A 981 11.503 7.465 1.848 1.00 0.00 H new ATOM 0 HE21 GLN A 981 12.930 9.496 -0.687 1.00 0.00 H new ATOM 0 HE22 GLN A 981 13.516 10.767 0.392 1.00 0.00 H new ATOM 371 N VAL A 982 12.357 4.210 0.750 1.00 0.00 N ATOM 372 CA VAL A 982 12.445 3.253 1.847 1.00 0.00 C ATOM 373 C VAL A 982 12.462 3.966 3.196 1.00 0.00 C ATOM 374 O VAL A 982 13.255 4.883 3.416 1.00 0.00 O ATOM 375 CB VAL A 982 13.702 2.368 1.721 1.00 0.00 C ATOM 376 CG1 VAL A 982 14.955 3.224 1.617 1.00 0.00 C ATOM 377 CG2 VAL A 982 13.801 1.403 2.894 1.00 0.00 C ATOM 0 H VAL A 982 13.133 4.166 0.089 1.00 0.00 H new ATOM 0 HA VAL A 982 11.561 2.618 1.789 1.00 0.00 H new ATOM 0 HB VAL A 982 13.616 1.782 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 982 15.830 2.580 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 982 14.886 3.864 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 982 15.048 3.842 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 982 14.695 0.788 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 982 13.860 1.967 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 982 12.920 0.762 2.913 1.00 0.00 H new ATOM 387 N GLY A 983 11.576 3.546 4.092 1.00 0.00 N ATOM 388 CA GLY A 983 11.472 4.184 5.391 1.00 0.00 C ATOM 389 C GLY A 983 10.123 4.845 5.605 1.00 0.00 C ATOM 390 O GLY A 983 9.724 5.102 6.740 1.00 0.00 O ATOM 0 H GLY A 983 10.927 2.774 3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 983 11.638 3.441 6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 983 12.259 4.931 5.490 1.00 0.00 H new ATOM 394 N SER A 984 9.421 5.117 4.510 1.00 0.00 N ATOM 395 CA SER A 984 8.104 5.742 4.580 1.00 0.00 C ATOM 396 C SER A 984 7.026 4.703 4.871 1.00 0.00 C ATOM 397 O SER A 984 7.320 3.517 5.024 1.00 0.00 O ATOM 398 CB SER A 984 7.789 6.468 3.271 1.00 0.00 C ATOM 399 OG SER A 984 7.784 5.568 2.176 1.00 0.00 O ATOM 0 H SER A 984 9.742 4.915 3.563 1.00 0.00 H new ATOM 0 HA SER A 984 8.116 6.467 5.394 1.00 0.00 H new ATOM 0 HB2 SER A 984 6.818 6.957 3.348 1.00 0.00 H new ATOM 0 HB3 SER A 984 8.528 7.251 3.099 1.00 0.00 H new ATOM 0 HG SER A 984 8.705 5.323 1.950 1.00 0.00 H new ATOM 405 N ARG A 985 5.779 5.155 4.947 1.00 0.00 N ATOM 406 CA ARG A 985 4.659 4.264 5.227 1.00 0.00 C ATOM 407 C ARG A 985 3.390 4.745 4.529 1.00 0.00 C ATOM 408 O ARG A 985 2.581 5.465 5.116 1.00 0.00 O ATOM 409 CB ARG A 985 4.423 4.167 6.736 1.00 0.00 C ATOM 410 CG ARG A 985 3.319 3.195 7.119 1.00 0.00 C ATOM 411 CD ARG A 985 3.142 3.118 8.626 1.00 0.00 C ATOM 412 NE ARG A 985 2.083 2.187 9.006 1.00 0.00 N ATOM 413 CZ ARG A 985 1.814 1.849 10.264 1.00 0.00 C ATOM 414 NH1 ARG A 985 2.524 2.364 11.260 1.00 0.00 N ATOM 415 NH2 ARG A 985 0.834 0.996 10.528 1.00 0.00 N ATOM 0 H ARG A 985 5.518 6.133 4.819 1.00 0.00 H new ATOM 0 HA ARG A 985 4.908 3.276 4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 985 5.350 3.860 7.221 1.00 0.00 H new ATOM 0 HB3 ARG A 985 4.174 5.156 7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 985 2.382 3.507 6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 985 3.553 2.205 6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 985 4.080 2.807 9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 985 2.910 4.109 9.015 1.00 0.00 H new ATOM 0 HE ARG A 985 1.518 1.773 8.265 1.00 0.00 H new ATOM 0 HH11 ARG A 985 3.279 3.021 11.062 1.00 0.00 H new ATOM 0 HH12 ARG A 985 2.315 2.103 12.224 1.00 0.00 H new ATOM 0 HH21 ARG A 985 0.285 0.598 9.766 1.00 0.00 H new ATOM 0 HH22 ARG A 985 0.629 0.738 11.493 1.00 0.00 H new ATOM 429 N ILE A 986 3.215 4.331 3.278 1.00 0.00 N ATOM 430 CA ILE A 986 2.007 4.651 2.528 1.00 0.00 C ATOM 431 C ILE A 986 0.809 3.881 3.075 1.00 0.00 C ATOM 432 O ILE A 986 0.958 3.018 3.939 1.00 0.00 O ATOM 433 CB ILE A 986 2.173 4.330 1.030 1.00 0.00 C ATOM 434 CG1 ILE A 986 2.445 2.836 0.833 1.00 0.00 C ATOM 435 CG2 ILE A 986 3.298 5.162 0.434 1.00 0.00 C ATOM 436 CD1 ILE A 986 2.489 2.413 -0.619 1.00 0.00 C ATOM 0 H ILE A 986 3.895 3.773 2.763 1.00 0.00 H new ATOM 0 HA ILE A 986 1.833 5.721 2.642 1.00 0.00 H new ATOM 0 HB ILE A 986 1.247 4.582 0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 986 3.394 2.583 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 986 1.672 2.264 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 986 3.404 4.925 -0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 986 3.067 6.221 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 986 4.231 4.937 0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 986 2.686 1.343 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 986 1.532 2.634 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 986 3.281 2.958 -1.133 1.00 0.00 H new ATOM 448 N THR A 987 -0.380 4.203 2.573 1.00 0.00 N ATOM 449 CA THR A 987 -1.603 3.573 3.053 1.00 0.00 C ATOM 450 C THR A 987 -2.373 2.920 1.912 1.00 0.00 C ATOM 451 O THR A 987 -2.020 3.072 0.742 1.00 0.00 O ATOM 452 CB THR A 987 -2.520 4.590 3.760 1.00 0.00 C ATOM 453 OG1 THR A 987 -2.895 5.629 2.848 1.00 0.00 O ATOM 454 CG2 THR A 987 -1.823 5.196 4.969 1.00 0.00 C ATOM 0 H THR A 987 -0.521 4.894 1.836 1.00 0.00 H new ATOM 0 HA THR A 987 -1.302 2.807 3.768 1.00 0.00 H new ATOM 0 HB THR A 987 -3.414 4.066 4.100 1.00 0.00 H new ATOM 0 HG1 THR A 987 -3.867 5.750 2.871 1.00 0.00 H new ATOM 0 HG21 THR A 987 -2.489 5.911 5.452 1.00 0.00 H new ATOM 0 HG22 THR A 987 -1.565 4.406 5.674 1.00 0.00 H new ATOM 0 HG23 THR A 987 -0.915 5.706 4.648 1.00 0.00 H new ATOM 462 N TYR A 988 -3.420 2.181 2.264 1.00 0.00 N ATOM 463 CA TYR A 988 -4.188 1.425 1.284 1.00 0.00 C ATOM 464 C TYR A 988 -5.679 1.502 1.594 1.00 0.00 C ATOM 465 O TYR A 988 -6.198 0.716 2.386 1.00 0.00 O ATOM 466 CB TYR A 988 -3.733 -0.036 1.275 1.00 0.00 C ATOM 467 CG TYR A 988 -3.632 -0.634 -0.108 1.00 0.00 C ATOM 468 CD1 TYR A 988 -4.770 -1.004 -0.814 1.00 0.00 C ATOM 469 CD2 TYR A 988 -2.394 -0.831 -0.707 1.00 0.00 C ATOM 470 CE1 TYR A 988 -4.676 -1.554 -2.078 1.00 0.00 C ATOM 471 CE2 TYR A 988 -2.293 -1.380 -1.971 1.00 0.00 C ATOM 472 CZ TYR A 988 -3.437 -1.740 -2.652 1.00 0.00 C ATOM 473 OH TYR A 988 -3.340 -2.286 -3.911 1.00 0.00 O ATOM 0 H TYR A 988 -3.756 2.090 3.223 1.00 0.00 H new ATOM 0 HA TYR A 988 -4.015 1.861 0.300 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -2.761 -0.107 1.763 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -4.431 -0.628 1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -5.743 -0.859 -0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -1.496 -0.551 -0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -5.570 -1.837 -2.614 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -1.323 -1.526 -2.423 1.00 0.00 H new ATOM 0 HH TYR A 988 -4.091 -2.897 -4.061 1.00 0.00 H new ATOM 483 N SER A 989 -6.359 2.468 0.986 1.00 0.00 N ATOM 484 CA SER A 989 -7.759 2.730 1.303 1.00 0.00 C ATOM 485 C SER A 989 -8.661 2.427 0.110 1.00 0.00 C ATOM 486 O SER A 989 -8.415 2.893 -1.003 1.00 0.00 O ATOM 487 CB SER A 989 -7.940 4.187 1.733 1.00 0.00 C ATOM 488 OG SER A 989 -7.534 5.076 0.708 1.00 0.00 O ATOM 0 H SER A 989 -5.965 3.081 0.273 1.00 0.00 H new ATOM 0 HA SER A 989 -8.045 2.073 2.124 1.00 0.00 H new ATOM 0 HB2 SER A 989 -8.985 4.368 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 989 -7.359 4.378 2.635 1.00 0.00 H new ATOM 0 HG SER A 989 -7.252 4.563 -0.078 1.00 0.00 H new ATOM 494 N CYS A 990 -9.721 1.662 0.358 1.00 0.00 N ATOM 495 CA CYS A 990 -10.738 1.408 -0.657 1.00 0.00 C ATOM 496 C CYS A 990 -11.820 2.483 -0.616 1.00 0.00 C ATOM 497 O CYS A 990 -11.679 3.493 0.074 1.00 0.00 O ATOM 498 CB CYS A 990 -11.369 0.029 -0.451 1.00 0.00 C ATOM 499 SG CYS A 990 -10.211 -1.362 -0.650 1.00 0.00 S ATOM 0 H CYS A 990 -9.898 1.207 1.254 1.00 0.00 H new ATOM 0 HA CYS A 990 -10.254 1.434 -1.634 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -11.802 -0.014 0.548 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -12.189 -0.092 -1.159 1.00 0.00 H new ATOM 504 N THR A 991 -12.905 2.252 -1.347 1.00 0.00 N ATOM 505 CA THR A 991 -14.037 3.171 -1.342 1.00 0.00 C ATOM 506 C THR A 991 -14.810 3.079 -0.032 1.00 0.00 C ATOM 507 O THR A 991 -14.846 2.028 0.607 1.00 0.00 O ATOM 508 CB THR A 991 -14.995 2.889 -2.515 1.00 0.00 C ATOM 509 OG1 THR A 991 -16.175 3.692 -2.389 1.00 0.00 O ATOM 510 CG2 THR A 991 -15.378 1.418 -2.563 1.00 0.00 C ATOM 0 H THR A 991 -13.024 1.438 -1.950 1.00 0.00 H new ATOM 0 HA THR A 991 -13.631 4.177 -1.451 1.00 0.00 H new ATOM 0 HB THR A 991 -14.481 3.143 -3.442 1.00 0.00 H new ATOM 0 HG1 THR A 991 -16.778 3.508 -3.139 1.00 0.00 H new ATOM 0 HG21 THR A 991 -16.055 1.245 -3.400 1.00 0.00 H new ATOM 0 HG22 THR A 991 -14.481 0.812 -2.691 1.00 0.00 H new ATOM 0 HG23 THR A 991 -15.873 1.140 -1.633 1.00 0.00 H new ATOM 518 N THR A 992 -15.416 4.193 0.371 1.00 0.00 N ATOM 519 CA THR A 992 -16.130 4.263 1.641 1.00 0.00 C ATOM 520 C THR A 992 -17.253 3.233 1.699 1.00 0.00 C ATOM 521 O THR A 992 -18.285 3.388 1.045 1.00 0.00 O ATOM 522 CB THR A 992 -16.721 5.666 1.876 1.00 0.00 C ATOM 523 OG1 THR A 992 -15.685 6.652 1.811 1.00 0.00 O ATOM 524 CG2 THR A 992 -17.416 5.744 3.227 1.00 0.00 C ATOM 0 H THR A 992 -15.426 5.061 -0.165 1.00 0.00 H new ATOM 0 HA THR A 992 -15.404 4.047 2.424 1.00 0.00 H new ATOM 0 HB THR A 992 -17.457 5.859 1.095 1.00 0.00 H new ATOM 0 HG1 THR A 992 -16.070 7.541 1.960 1.00 0.00 H new ATOM 0 HG21 THR A 992 -17.825 6.745 3.369 1.00 0.00 H new ATOM 0 HG22 THR A 992 -18.224 5.013 3.263 1.00 0.00 H new ATOM 0 HG23 THR A 992 -16.698 5.530 4.019 1.00 0.00 H new ATOM 532 N GLY A 993 -17.044 2.183 2.487 1.00 0.00 N ATOM 533 CA GLY A 993 -18.049 1.144 2.624 1.00 0.00 C ATOM 534 C GLY A 993 -17.500 -0.236 2.319 1.00 0.00 C ATOM 535 O GLY A 993 -18.250 -1.211 2.266 1.00 0.00 O ATOM 0 H GLY A 993 -16.196 2.033 3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -18.446 1.158 3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -18.882 1.357 1.953 1.00 0.00 H new ATOM 539 N HIS A 994 -16.189 -0.317 2.114 1.00 0.00 N ATOM 540 CA HIS A 994 -15.542 -1.584 1.789 1.00 0.00 C ATOM 541 C HIS A 994 -14.282 -1.781 2.629 1.00 0.00 C ATOM 542 O HIS A 994 -13.273 -1.109 2.418 1.00 0.00 O ATOM 543 CB HIS A 994 -15.190 -1.632 0.300 1.00 0.00 C ATOM 544 CG HIS A 994 -16.382 -1.515 -0.600 1.00 0.00 C ATOM 545 ND1 HIS A 994 -17.160 -0.379 -0.676 1.00 0.00 N ATOM 546 CD2 HIS A 994 -16.929 -2.402 -1.466 1.00 0.00 C ATOM 547 CE1 HIS A 994 -18.134 -0.572 -1.548 1.00 0.00 C ATOM 548 NE2 HIS A 994 -18.017 -1.791 -2.041 1.00 0.00 N ATOM 0 H HIS A 994 -15.554 0.479 2.167 1.00 0.00 H new ATOM 0 HA HIS A 994 -16.239 -2.391 2.017 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -14.493 -0.825 0.073 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -14.674 -2.568 0.087 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -16.576 -3.403 -1.667 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -18.896 0.146 -1.812 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -18.634 -2.211 -2.736 1.00 0.00 H new ATOM 557 N ARG A 995 -14.354 -2.704 3.583 1.00 0.00 N ATOM 558 CA ARG A 995 -13.233 -2.965 4.481 1.00 0.00 C ATOM 559 C ARG A 995 -12.164 -3.807 3.791 1.00 0.00 C ATOM 560 O ARG A 995 -12.471 -4.663 2.961 1.00 0.00 O ATOM 561 CB ARG A 995 -13.726 -3.667 5.751 1.00 0.00 C ATOM 562 CG ARG A 995 -14.499 -4.950 5.487 1.00 0.00 C ATOM 563 CD ARG A 995 -13.577 -6.155 5.396 1.00 0.00 C ATOM 564 NE ARG A 995 -12.829 -6.364 6.633 1.00 0.00 N ATOM 565 CZ ARG A 995 -12.139 -7.469 6.902 1.00 0.00 C ATOM 566 NH1 ARG A 995 -12.102 -8.463 6.023 1.00 0.00 N ATOM 567 NH2 ARG A 995 -11.485 -7.582 8.049 1.00 0.00 N ATOM 0 H ARG A 995 -15.176 -3.283 3.755 1.00 0.00 H new ATOM 0 HA ARG A 995 -12.786 -2.010 4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -12.869 -3.895 6.384 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -14.361 -2.980 6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -15.225 -5.107 6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -15.061 -4.851 4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -14.165 -7.045 5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -12.880 -6.017 4.569 1.00 0.00 H new ATOM 0 HE ARG A 995 -12.836 -5.620 7.331 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -12.603 -8.381 5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -11.572 -9.309 6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -11.510 -6.821 8.728 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -10.957 -8.430 8.253 1.00 0.00 H new ATOM 581 N LEU A 996 -10.906 -3.552 4.138 1.00 0.00 N ATOM 582 CA LEU A 996 -9.784 -4.255 3.538 1.00 0.00 C ATOM 583 C LEU A 996 -9.602 -5.633 4.164 1.00 0.00 C ATOM 584 O LEU A 996 -9.738 -5.796 5.377 1.00 0.00 O ATOM 585 CB LEU A 996 -8.511 -3.433 3.721 1.00 0.00 C ATOM 586 CG LEU A 996 -8.560 -2.022 3.136 1.00 0.00 C ATOM 587 CD1 LEU A 996 -7.911 -1.030 4.089 1.00 0.00 C ATOM 588 CD2 LEU A 996 -7.873 -1.986 1.779 1.00 0.00 C ATOM 0 H LEU A 996 -10.640 -2.858 4.837 1.00 0.00 H new ATOM 0 HA LEU A 996 -9.988 -4.388 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -8.294 -3.360 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -7.681 -3.971 3.263 1.00 0.00 H new ATOM 0 HG LEU A 996 -9.604 -1.738 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -7.954 -0.030 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -8.443 -1.038 5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -6.870 -1.310 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -7.917 -0.974 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -6.832 -2.288 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -8.378 -2.670 1.097 1.00 0.00 H new ATOM 600 N ILE A 997 -9.259 -6.611 3.335 1.00 0.00 N ATOM 601 CA ILE A 997 -8.872 -7.927 3.826 1.00 0.00 C ATOM 602 C ILE A 997 -7.362 -8.119 3.710 1.00 0.00 C ATOM 603 O ILE A 997 -6.887 -8.974 2.961 1.00 0.00 O ATOM 604 CB ILE A 997 -9.593 -9.058 3.060 1.00 0.00 C ATOM 605 CG1 ILE A 997 -11.101 -8.795 3.001 1.00 0.00 C ATOM 606 CG2 ILE A 997 -9.318 -10.404 3.714 1.00 0.00 C ATOM 607 CD1 ILE A 997 -11.511 -7.824 1.914 1.00 0.00 C ATOM 0 H ILE A 997 -9.241 -6.517 2.319 1.00 0.00 H new ATOM 0 HA ILE A 997 -9.168 -7.979 4.874 1.00 0.00 H new ATOM 0 HB ILE A 997 -9.206 -9.080 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -11.619 -9.741 2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -11.430 -8.407 3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -9.834 -11.189 3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -8.246 -10.600 3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -9.677 -10.389 4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -12.592 -7.689 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -11.022 -6.864 2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -11.214 -8.219 0.942 1.00 0.00 H new ATOM 619 N GLY A 998 -6.612 -7.302 4.444 1.00 0.00 N ATOM 620 CA GLY A 998 -5.164 -7.346 4.356 1.00 0.00 C ATOM 621 C GLY A 998 -4.486 -6.614 5.499 1.00 0.00 C ATOM 622 O GLY A 998 -4.631 -6.994 6.661 1.00 0.00 O ATOM 0 H GLY A 998 -6.981 -6.611 5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -4.836 -8.385 4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -4.848 -6.906 3.410 1.00 0.00 H new ATOM 626 N HIS A 999 -3.727 -5.573 5.165 1.00 0.00 N ATOM 627 CA HIS A 999 -2.916 -4.871 6.149 1.00 0.00 C ATOM 628 C HIS A 999 -3.454 -3.467 6.412 1.00 0.00 C ATOM 629 O HIS A 999 -3.148 -2.858 7.437 1.00 0.00 O ATOM 630 CB HIS A 999 -1.466 -4.786 5.671 1.00 0.00 C ATOM 631 CG HIS A 999 -0.500 -4.443 6.758 1.00 0.00 C ATOM 632 ND1 HIS A 999 0.239 -3.279 6.778 1.00 0.00 N ATOM 633 CD2 HIS A 999 -0.152 -5.126 7.872 1.00 0.00 C ATOM 634 CE1 HIS A 999 1.000 -3.262 7.857 1.00 0.00 C ATOM 635 NE2 HIS A 999 0.782 -4.372 8.538 1.00 0.00 N ATOM 0 H HIS A 999 -3.659 -5.199 4.219 1.00 0.00 H new ATOM 0 HA HIS A 999 -2.960 -5.434 7.081 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -1.180 -5.741 5.230 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -1.395 -4.037 4.883 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -0.537 -6.087 8.181 1.00 0.00 H new ATOM 0 HE1 HIS A 999 1.684 -2.474 8.135 1.00 0.00 H new ATOM 0 HE2 HIS A 999 1.234 -4.628 9.416 1.00 0.00 H new ATOM 644 N SER A1000 -4.245 -2.956 5.471 1.00 0.00 N ATOM 645 CA SER A1000 -4.768 -1.594 5.559 1.00 0.00 C ATOM 646 C SER A1000 -3.630 -0.578 5.614 1.00 0.00 C ATOM 647 O SER A1000 -3.821 0.562 6.036 1.00 0.00 O ATOM 648 CB SER A1000 -5.667 -1.444 6.789 1.00 0.00 C ATOM 649 OG SER A1000 -6.236 -0.148 6.852 1.00 0.00 O ATOM 0 H SER A1000 -4.538 -3.465 4.637 1.00 0.00 H new ATOM 0 HA SER A1000 -5.360 -1.401 4.665 1.00 0.00 H new ATOM 0 HB2 SER A1000 -6.460 -2.191 6.757 1.00 0.00 H new ATOM 0 HB3 SER A1000 -5.087 -1.634 7.692 1.00 0.00 H new ATOM 0 HG SER A1000 -5.567 0.516 6.586 1.00 0.00 H new ATOM 655 N SER A1001 -2.446 -1.004 5.185 1.00 0.00 N ATOM 656 CA SER A1001 -1.257 -0.157 5.227 1.00 0.00 C ATOM 657 C SER A1001 -0.089 -0.843 4.524 1.00 0.00 C ATOM 658 O SER A1001 -0.221 -1.970 4.048 1.00 0.00 O ATOM 659 CB SER A1001 -0.881 0.162 6.676 1.00 0.00 C ATOM 660 OG SER A1001 0.235 1.033 6.736 1.00 0.00 O ATOM 0 H SER A1001 -2.283 -1.935 4.802 1.00 0.00 H new ATOM 0 HA SER A1001 -1.480 0.775 4.708 1.00 0.00 H new ATOM 0 HB2 SER A1001 -1.731 0.620 7.183 1.00 0.00 H new ATOM 0 HB3 SER A1001 -0.653 -0.762 7.207 1.00 0.00 H new ATOM 0 HG SER A1001 -0.055 1.914 7.052 1.00 0.00 H new ATOM 666 N ALA A1002 1.052 -0.162 4.461 1.00 0.00 N ATOM 667 CA ALA A1002 2.232 -0.719 3.809 1.00 0.00 C ATOM 668 C ALA A1002 3.513 -0.069 4.323 1.00 0.00 C ATOM 669 O ALA A1002 3.511 1.091 4.738 1.00 0.00 O ATOM 670 CB ALA A1002 2.128 -0.555 2.300 1.00 0.00 C ATOM 0 H ALA A1002 1.184 0.771 4.851 1.00 0.00 H new ATOM 0 HA ALA A1002 2.276 -1.781 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A1002 3.015 -0.975 1.826 1.00 0.00 H new ATOM 0 HB2 ALA A1002 1.242 -1.076 1.938 1.00 0.00 H new ATOM 0 HB3 ALA A1002 2.052 0.504 2.053 1.00 0.00 H new ATOM 676 N GLU A1003 4.607 -0.823 4.280 1.00 0.00 N ATOM 677 CA GLU A1003 5.915 -0.305 4.668 1.00 0.00 C ATOM 678 C GLU A1003 7.015 -0.923 3.810 1.00 0.00 C ATOM 679 O GLU A1003 7.234 -2.134 3.844 1.00 0.00 O ATOM 680 CB GLU A1003 6.182 -0.589 6.148 1.00 0.00 C ATOM 681 CG GLU A1003 7.506 -0.031 6.646 1.00 0.00 C ATOM 682 CD GLU A1003 7.748 -0.321 8.114 1.00 0.00 C ATOM 683 OE1 GLU A1003 7.372 -1.421 8.572 1.00 0.00 O ATOM 684 OE2 GLU A1003 8.312 0.552 8.807 1.00 0.00 O ATOM 0 H GLU A1003 4.614 -1.798 3.979 1.00 0.00 H new ATOM 0 HA GLU A1003 5.916 0.773 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A1003 5.372 -0.166 6.742 1.00 0.00 H new ATOM 0 HB3 GLU A1003 6.167 -1.667 6.311 1.00 0.00 H new ATOM 0 HG2 GLU A1003 8.319 -0.456 6.057 1.00 0.00 H new ATOM 0 HG3 GLU A1003 7.525 1.047 6.485 1.00 0.00 H new ATOM 691 N CYS A1004 7.690 -0.086 3.029 1.00 0.00 N ATOM 692 CA CYS A1004 8.690 -0.564 2.079 1.00 0.00 C ATOM 693 C CYS A1004 9.865 -1.217 2.802 1.00 0.00 C ATOM 694 O CYS A1004 10.706 -0.532 3.384 1.00 0.00 O ATOM 695 CB CYS A1004 9.190 0.591 1.208 1.00 0.00 C ATOM 696 SG CYS A1004 10.342 0.084 -0.109 1.00 0.00 S ATOM 0 H CYS A1004 7.563 0.926 3.035 1.00 0.00 H new ATOM 0 HA CYS A1004 8.219 -1.313 1.443 1.00 0.00 H new ATOM 0 HB2 CYS A1004 8.332 1.088 0.754 1.00 0.00 H new ATOM 0 HB3 CYS A1004 9.683 1.325 1.845 1.00 0.00 H new ATOM 701 N ILE A1005 9.916 -2.543 2.753 1.00 0.00 N ATOM 702 CA ILE A1005 11.000 -3.291 3.377 1.00 0.00 C ATOM 703 C ILE A1005 12.040 -3.723 2.347 1.00 0.00 C ATOM 704 O ILE A1005 12.001 -3.295 1.194 1.00 0.00 O ATOM 705 CB ILE A1005 10.473 -4.538 4.112 1.00 0.00 C ATOM 706 CG1 ILE A1005 9.618 -5.390 3.171 1.00 0.00 C ATOM 707 CG2 ILE A1005 9.676 -4.127 5.342 1.00 0.00 C ATOM 708 CD1 ILE A1005 9.160 -6.697 3.780 1.00 0.00 C ATOM 0 H ILE A1005 9.218 -3.123 2.287 1.00 0.00 H new ATOM 0 HA ILE A1005 11.467 -2.622 4.100 1.00 0.00 H new ATOM 0 HB ILE A1005 11.323 -5.138 4.438 1.00 0.00 H new ATOM 0 HG12 ILE A1005 8.743 -4.814 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A1005 10.189 -5.601 2.267 1.00 0.00 H new ATOM 0 HG21 ILE A1005 9.309 -5.018 5.852 1.00 0.00 H new ATOM 0 HG22 ILE A1005 10.316 -3.560 6.017 1.00 0.00 H new ATOM 0 HG23 ILE A1005 8.831 -3.509 5.038 1.00 0.00 H new ATOM 0 HD11 ILE A1005 8.560 -7.246 3.054 1.00 0.00 H new ATOM 0 HD12 ILE A1005 10.029 -7.294 4.057 1.00 0.00 H new ATOM 0 HD13 ILE A1005 8.561 -6.495 4.668 1.00 0.00 H new ATOM 720 N LEU A1006 12.976 -4.564 2.780 1.00 0.00 N ATOM 721 CA LEU A1006 14.073 -5.008 1.927 1.00 0.00 C ATOM 722 C LEU A1006 14.868 -3.821 1.392 1.00 0.00 C ATOM 723 O LEU A1006 14.660 -2.683 1.810 1.00 0.00 O ATOM 724 CB LEU A1006 13.545 -5.853 0.765 1.00 0.00 C ATOM 725 CG LEU A1006 12.734 -7.088 1.168 1.00 0.00 C ATOM 726 CD1 LEU A1006 12.487 -7.978 -0.039 1.00 0.00 C ATOM 727 CD2 LEU A1006 13.447 -7.868 2.264 1.00 0.00 C ATOM 0 H LEU A1006 12.995 -4.953 3.723 1.00 0.00 H new ATOM 0 HA LEU A1006 14.739 -5.621 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A1006 12.923 -5.221 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A1006 14.391 -6.177 0.159 1.00 0.00 H new ATOM 0 HG LEU A1006 11.772 -6.752 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A1006 11.909 -8.851 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A1006 11.933 -7.421 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A1006 13.442 -8.301 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A1006 12.853 -8.741 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A1006 14.424 -8.191 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A1006 13.575 -7.231 3.139 1.00 0.00 H new ATOM 739 N SER A1007 15.802 -4.105 0.488 1.00 0.00 N ATOM 740 CA SER A1007 16.774 -3.107 0.046 1.00 0.00 C ATOM 741 C SER A1007 17.561 -3.607 -1.161 1.00 0.00 C ATOM 742 O SER A1007 17.411 -4.755 -1.579 1.00 0.00 O ATOM 743 CB SER A1007 17.742 -2.762 1.182 1.00 0.00 C ATOM 744 OG SER A1007 17.075 -2.117 2.252 1.00 0.00 O ATOM 0 H SER A1007 15.907 -5.019 0.047 1.00 0.00 H new ATOM 0 HA SER A1007 16.223 -2.211 -0.242 1.00 0.00 H new ATOM 0 HB2 SER A1007 18.219 -3.673 1.545 1.00 0.00 H new ATOM 0 HB3 SER A1007 18.534 -2.116 0.803 1.00 0.00 H new ATOM 0 HG SER A1007 16.146 -1.936 1.997 1.00 0.00 H new ATOM 750 N GLY A1008 18.406 -2.739 -1.711 1.00 0.00 N ATOM 751 CA GLY A1008 19.235 -3.122 -2.839 1.00 0.00 C ATOM 752 C GLY A1008 18.418 -3.554 -4.041 1.00 0.00 C ATOM 753 O GLY A1008 17.557 -2.811 -4.513 1.00 0.00 O ATOM 0 H GLY A1008 18.531 -1.777 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A1008 19.872 -2.283 -3.119 1.00 0.00 H new ATOM 0 HA3 GLY A1008 19.895 -3.937 -2.541 1.00 0.00 H new ATOM 757 N ASN A1009 18.688 -4.758 -4.536 1.00 0.00 N ATOM 758 CA ASN A1009 17.961 -5.292 -5.682 1.00 0.00 C ATOM 759 C ASN A1009 16.516 -5.598 -5.312 1.00 0.00 C ATOM 760 O ASN A1009 15.644 -5.677 -6.177 1.00 0.00 O ATOM 761 CB ASN A1009 18.647 -6.556 -6.205 1.00 0.00 C ATOM 762 CG ASN A1009 17.938 -7.143 -7.410 1.00 0.00 C ATOM 763 OD1 ASN A1009 17.043 -7.977 -7.273 1.00 0.00 O ATOM 764 ND2 ASN A1009 18.337 -6.710 -8.601 1.00 0.00 N ATOM 0 H ASN A1009 19.404 -5.381 -4.162 1.00 0.00 H new ATOM 0 HA ASN A1009 17.964 -4.536 -6.468 1.00 0.00 H new ATOM 0 HB2 ASN A1009 19.678 -6.323 -6.472 1.00 0.00 H new ATOM 0 HB3 ASN A1009 18.684 -7.301 -5.410 1.00 0.00 H new ATOM 0 HD21 ASN A1009 17.897 -7.070 -9.448 1.00 0.00 H new ATOM 0 HD22 ASN A1009 19.083 -6.017 -8.668 1.00 0.00 H new ATOM 771 N THR A1010 16.271 -5.761 -4.019 1.00 0.00 N ATOM 772 CA THR A1010 14.934 -6.020 -3.518 1.00 0.00 C ATOM 773 C THR A1010 14.300 -4.753 -2.953 1.00 0.00 C ATOM 774 O THR A1010 14.999 -3.839 -2.514 1.00 0.00 O ATOM 775 CB THR A1010 14.953 -7.104 -2.429 1.00 0.00 C ATOM 776 OG1 THR A1010 16.173 -7.031 -1.682 1.00 0.00 O ATOM 777 CG2 THR A1010 14.804 -8.491 -3.037 1.00 0.00 C ATOM 0 H THR A1010 16.989 -5.717 -3.296 1.00 0.00 H new ATOM 0 HA THR A1010 14.338 -6.369 -4.362 1.00 0.00 H new ATOM 0 HB THR A1010 14.110 -6.928 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A1010 16.405 -6.092 -1.526 1.00 0.00 H new ATOM 0 HG21 THR A1010 14.821 -9.239 -2.245 1.00 0.00 H new ATOM 0 HG22 THR A1010 13.858 -8.553 -3.575 1.00 0.00 H new ATOM 0 HG23 THR A1010 15.627 -8.676 -3.728 1.00 0.00 H new ATOM 785 N ALA A1011 12.971 -4.706 -2.975 1.00 0.00 N ATOM 786 CA ALA A1011 12.227 -3.537 -2.515 1.00 0.00 C ATOM 787 C ALA A1011 10.728 -3.767 -2.657 1.00 0.00 C ATOM 788 O ALA A1011 10.177 -3.685 -3.755 1.00 0.00 O ATOM 789 CB ALA A1011 12.641 -2.296 -3.288 1.00 0.00 C ATOM 0 H ALA A1011 12.383 -5.470 -3.309 1.00 0.00 H new ATOM 0 HA ALA A1011 12.459 -3.382 -1.461 1.00 0.00 H new ATOM 0 HB1 ALA A1011 12.074 -1.437 -2.929 1.00 0.00 H new ATOM 0 HB2 ALA A1011 13.706 -2.115 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A1011 12.441 -2.445 -4.349 1.00 0.00 H new ATOM 795 N HIS A1012 10.082 -4.091 -1.546 1.00 0.00 N ATOM 796 CA HIS A1012 8.696 -4.542 -1.571 1.00 0.00 C ATOM 797 C HIS A1012 7.899 -3.921 -0.430 1.00 0.00 C ATOM 798 O HIS A1012 8.467 -3.340 0.493 1.00 0.00 O ATOM 799 CB HIS A1012 8.636 -6.068 -1.476 1.00 0.00 C ATOM 800 CG HIS A1012 9.388 -6.770 -2.565 1.00 0.00 C ATOM 801 ND1 HIS A1012 8.767 -7.373 -3.641 1.00 0.00 N ATOM 802 CD2 HIS A1012 10.717 -6.968 -2.741 1.00 0.00 C ATOM 803 CE1 HIS A1012 9.681 -7.910 -4.429 1.00 0.00 C ATOM 804 NE2 HIS A1012 10.871 -7.678 -3.906 1.00 0.00 N ATOM 0 H HIS A1012 10.495 -4.050 -0.614 1.00 0.00 H new ATOM 0 HA HIS A1012 8.253 -4.222 -2.514 1.00 0.00 H new ATOM 0 HB2 HIS A1012 9.037 -6.379 -0.511 1.00 0.00 H new ATOM 0 HB3 HIS A1012 7.593 -6.384 -1.505 1.00 0.00 H new ATOM 0 HD2 HIS A1012 11.507 -6.630 -2.087 1.00 0.00 H new ATOM 0 HE1 HIS A1012 9.488 -8.448 -5.346 1.00 0.00 H new ATOM 0 HE2 HIS A1012 11.761 -7.978 -4.303 1.00 0.00 H new ATOM 813 N TRP A1013 6.578 -4.060 -0.494 1.00 0.00 N ATOM 814 CA TRP A1013 5.707 -3.590 0.576 1.00 0.00 C ATOM 815 C TRP A1013 5.181 -4.763 1.396 1.00 0.00 C ATOM 816 O TRP A1013 4.710 -5.759 0.845 1.00 0.00 O ATOM 817 CB TRP A1013 4.543 -2.785 -0.004 1.00 0.00 C ATOM 818 CG TRP A1013 4.988 -1.604 -0.812 1.00 0.00 C ATOM 819 CD1 TRP A1013 5.147 -1.552 -2.168 1.00 0.00 C ATOM 820 CD2 TRP A1013 5.338 -0.306 -0.317 1.00 0.00 C ATOM 821 NE1 TRP A1013 5.574 -0.301 -2.544 1.00 0.00 N ATOM 822 CE2 TRP A1013 5.699 0.480 -1.427 1.00 0.00 C ATOM 823 CE3 TRP A1013 5.380 0.267 0.957 1.00 0.00 C ATOM 824 CZ2 TRP A1013 6.097 1.809 -1.301 1.00 0.00 C ATOM 825 CZ3 TRP A1013 5.775 1.586 1.081 1.00 0.00 C ATOM 826 CH2 TRP A1013 6.128 2.344 -0.042 1.00 0.00 C ATOM 0 H TRP A1013 6.088 -4.495 -1.276 1.00 0.00 H new ATOM 0 HA TRP A1013 6.288 -2.944 1.234 1.00 0.00 H new ATOM 0 HB2 TRP A1013 3.935 -3.437 -0.630 1.00 0.00 H new ATOM 0 HB3 TRP A1013 3.906 -2.441 0.811 1.00 0.00 H new ATOM 0 HD1 TRP A1013 4.964 -2.373 -2.845 1.00 0.00 H new ATOM 0 HE1 TRP A1013 5.767 -0.003 -3.500 1.00 0.00 H new ATOM 0 HE3 TRP A1013 5.109 -0.310 1.829 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 6.371 2.396 -2.165 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 5.812 2.039 2.061 1.00 0.00 H new ATOM 0 HH2 TRP A1013 6.431 3.372 0.088 1.00 0.00 H new ATOM 837 N SER A1014 5.299 -4.652 2.716 1.00 0.00 N ATOM 838 CA SER A1014 5.032 -5.775 3.610 1.00 0.00 C ATOM 839 C SER A1014 3.591 -6.262 3.480 1.00 0.00 C ATOM 840 O SER A1014 3.258 -7.360 3.925 1.00 0.00 O ATOM 841 CB SER A1014 5.314 -5.375 5.059 1.00 0.00 C ATOM 842 OG SER A1014 6.665 -4.981 5.226 1.00 0.00 O ATOM 0 H SER A1014 5.578 -3.794 3.191 1.00 0.00 H new ATOM 0 HA SER A1014 5.694 -6.592 3.323 1.00 0.00 H new ATOM 0 HB2 SER A1014 4.655 -4.557 5.348 1.00 0.00 H new ATOM 0 HB3 SER A1014 5.092 -6.212 5.720 1.00 0.00 H new ATOM 0 HG SER A1014 6.805 -4.106 4.808 1.00 0.00 H new ATOM 848 N THR A1015 2.740 -5.437 2.879 1.00 0.00 N ATOM 849 CA THR A1015 1.324 -5.764 2.757 1.00 0.00 C ATOM 850 C THR A1015 1.056 -6.635 1.535 1.00 0.00 C ATOM 851 O THR A1015 1.644 -6.433 0.472 1.00 0.00 O ATOM 852 CB THR A1015 0.461 -4.493 2.661 1.00 0.00 C ATOM 853 OG1 THR A1015 -0.922 -4.848 2.528 1.00 0.00 O ATOM 854 CG2 THR A1015 0.884 -3.636 1.478 1.00 0.00 C ATOM 0 H THR A1015 3.005 -4.541 2.470 1.00 0.00 H new ATOM 0 HA THR A1015 1.054 -6.316 3.657 1.00 0.00 H new ATOM 0 HB THR A1015 0.603 -3.917 3.575 1.00 0.00 H new ATOM 0 HG1 THR A1015 -1.464 -4.034 2.469 1.00 0.00 H new ATOM 0 HG21 THR A1015 0.259 -2.744 1.433 1.00 0.00 H new ATOM 0 HG22 THR A1015 1.927 -3.342 1.596 1.00 0.00 H new ATOM 0 HG23 THR A1015 0.770 -4.206 0.556 1.00 0.00 H new ATOM 862 N LYS A1016 0.145 -7.590 1.690 1.00 0.00 N ATOM 863 CA LYS A1016 -0.327 -8.390 0.567 1.00 0.00 C ATOM 864 C LYS A1016 -1.469 -7.677 -0.152 1.00 0.00 C ATOM 865 O LYS A1016 -2.206 -6.905 0.462 1.00 0.00 O ATOM 866 CB LYS A1016 -0.795 -9.761 1.057 1.00 0.00 C ATOM 867 CG LYS A1016 -1.949 -9.689 2.046 1.00 0.00 C ATOM 868 CD LYS A1016 -1.595 -10.347 3.372 1.00 0.00 C ATOM 869 CE LYS A1016 -0.476 -9.606 4.087 1.00 0.00 C ATOM 870 NZ LYS A1016 -0.129 -10.243 5.387 1.00 0.00 N ATOM 0 H LYS A1016 -0.282 -7.829 2.585 1.00 0.00 H new ATOM 0 HA LYS A1016 0.498 -8.525 -0.133 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -1.099 -10.361 0.199 1.00 0.00 H new ATOM 0 HB3 LYS A1016 0.043 -10.277 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -2.217 -8.646 2.217 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -2.825 -10.178 1.619 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -2.478 -10.377 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -1.294 -11.380 3.197 1.00 0.00 H new ATOM 0 HE2 LYS A1016 0.407 -9.579 3.449 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -0.777 -8.572 4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 0.638 -9.708 5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -0.965 -10.246 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 0.183 -11.221 5.222 1.00 0.00 H new ATOM 884 N PRO A1017 -1.631 -7.924 -1.465 1.00 0.00 N ATOM 885 CA PRO A1017 -2.691 -7.297 -2.263 1.00 0.00 C ATOM 886 C PRO A1017 -4.075 -7.535 -1.665 1.00 0.00 C ATOM 887 O PRO A1017 -4.621 -8.634 -1.765 1.00 0.00 O ATOM 888 CB PRO A1017 -2.574 -7.977 -3.635 1.00 0.00 C ATOM 889 CG PRO A1017 -1.717 -9.179 -3.413 1.00 0.00 C ATOM 890 CD PRO A1017 -0.804 -8.831 -2.274 1.00 0.00 C ATOM 0 HA PRO A1017 -2.577 -6.214 -2.308 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -3.555 -8.260 -4.018 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -2.127 -7.306 -4.369 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -2.324 -10.052 -3.174 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -1.147 -9.423 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -0.503 -9.715 -1.712 1.00 0.00 H new ATOM 0 HD3 PRO A1017 0.109 -8.347 -2.620 1.00 0.00 H new ATOM 898 N PRO A1018 -4.653 -6.507 -1.013 1.00 0.00 N ATOM 899 CA PRO A1018 -5.913 -6.643 -0.284 1.00 0.00 C ATOM 900 C PRO A1018 -7.128 -6.544 -1.197 1.00 0.00 C ATOM 901 O PRO A1018 -6.996 -6.339 -2.404 1.00 0.00 O ATOM 902 CB PRO A1018 -5.872 -5.463 0.681 1.00 0.00 C ATOM 903 CG PRO A1018 -5.108 -4.412 -0.051 1.00 0.00 C ATOM 904 CD PRO A1018 -4.112 -5.136 -0.921 1.00 0.00 C ATOM 0 HA PRO A1018 -6.008 -7.615 0.201 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -6.876 -5.121 0.934 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -5.382 -5.732 1.617 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -5.775 -3.797 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -4.601 -3.744 0.646 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -4.029 -4.672 -1.904 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -3.116 -5.128 -0.479 1.00 0.00 H new ATOM 912 N ILE A1019 -8.313 -6.687 -0.612 1.00 0.00 N ATOM 913 CA ILE A1019 -9.557 -6.591 -1.367 1.00 0.00 C ATOM 914 C ILE A1019 -10.483 -5.549 -0.752 1.00 0.00 C ATOM 915 O ILE A1019 -10.298 -5.142 0.396 1.00 0.00 O ATOM 916 CB ILE A1019 -10.291 -7.947 -1.421 1.00 0.00 C ATOM 917 CG1 ILE A1019 -9.300 -9.088 -1.680 1.00 0.00 C ATOM 918 CG2 ILE A1019 -11.372 -7.928 -2.492 1.00 0.00 C ATOM 919 CD1 ILE A1019 -8.578 -8.984 -3.008 1.00 0.00 C ATOM 0 H ILE A1019 -8.438 -6.870 0.384 1.00 0.00 H new ATOM 0 HA ILE A1019 -9.293 -6.292 -2.382 1.00 0.00 H new ATOM 0 HB ILE A1019 -10.766 -8.117 -0.455 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -8.563 -9.105 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -9.835 -10.037 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -11.878 -8.893 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -12.095 -7.144 -2.266 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -10.918 -7.733 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -7.895 -9.826 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -9.305 -8.998 -3.820 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -8.013 -8.052 -3.043 1.00 0.00 H new ATOM 931 N CYS A1020 -11.475 -5.116 -1.520 1.00 0.00 N ATOM 932 CA CYS A1020 -12.416 -4.102 -1.058 1.00 0.00 C ATOM 933 C CYS A1020 -13.818 -4.688 -0.923 1.00 0.00 C ATOM 934 O CYS A1020 -14.669 -4.494 -1.791 1.00 0.00 O ATOM 935 CB CYS A1020 -12.433 -2.915 -2.023 1.00 0.00 C ATOM 936 SG CYS A1020 -10.786 -2.229 -2.393 1.00 0.00 S ATOM 0 H CYS A1020 -11.649 -5.452 -2.467 1.00 0.00 H new ATOM 0 HA CYS A1020 -12.091 -3.755 -0.077 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -12.902 -3.227 -2.956 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -13.056 -2.127 -1.601 1.00 0.00 H new ATOM 941 N GLN A1021 -14.049 -5.413 0.168 1.00 0.00 N ATOM 942 CA GLN A1021 -15.334 -6.064 0.398 1.00 0.00 C ATOM 943 C GLN A1021 -16.221 -5.214 1.303 1.00 0.00 C ATOM 944 O GLN A1021 -15.760 -4.674 2.308 1.00 0.00 O ATOM 945 CB GLN A1021 -15.123 -7.445 1.023 1.00 0.00 C ATOM 946 CG GLN A1021 -16.417 -8.200 1.294 1.00 0.00 C ATOM 947 CD GLN A1021 -17.113 -8.655 0.025 1.00 0.00 C ATOM 948 OE1 GLN A1021 -17.003 -8.018 -1.024 1.00 0.00 O ATOM 949 NE2 GLN A1021 -17.836 -9.765 0.114 1.00 0.00 N ATOM 0 H GLN A1021 -13.362 -5.564 0.907 1.00 0.00 H new ATOM 0 HA GLN A1021 -15.833 -6.179 -0.564 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -14.497 -8.042 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -14.577 -7.330 1.959 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -16.201 -9.069 1.915 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -17.092 -7.561 1.863 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -17.900 -10.262 1.002 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -18.327 -10.121 -0.706 1.00 0.00 H new ATOM 958 N ARG A1022 -17.495 -5.103 0.938 1.00 0.00 N ATOM 959 CA ARG A1022 -18.449 -4.317 1.713 1.00 0.00 C ATOM 960 C ARG A1022 -18.581 -4.864 3.131 1.00 0.00 C ATOM 961 O ARG A1022 -18.739 -6.069 3.330 1.00 0.00 O ATOM 962 CB ARG A1022 -19.815 -4.314 1.024 1.00 0.00 C ATOM 963 CG ARG A1022 -20.860 -3.478 1.745 1.00 0.00 C ATOM 964 CD ARG A1022 -22.198 -3.513 1.024 1.00 0.00 C ATOM 965 NE ARG A1022 -22.735 -4.868 0.933 1.00 0.00 N ATOM 966 CZ ARG A1022 -23.870 -5.173 0.311 1.00 0.00 C ATOM 967 NH1 ARG A1022 -24.584 -4.221 -0.276 1.00 0.00 N ATOM 968 NH2 ARG A1022 -24.291 -6.430 0.272 1.00 0.00 N ATOM 0 H ARG A1022 -17.891 -5.548 0.110 1.00 0.00 H new ATOM 0 HA ARG A1022 -18.077 -3.294 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -19.699 -3.937 0.008 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -20.175 -5.340 0.945 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -20.984 -3.848 2.763 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -20.514 -2.447 1.821 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -22.909 -2.876 1.549 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -22.081 -3.101 0.022 1.00 0.00 H new ATOM 0 HE ARG A1022 -22.209 -5.624 1.372 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -24.262 -3.253 -0.251 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -25.454 -4.457 -0.753 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -23.744 -7.165 0.720 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -25.162 -6.662 -0.206 1.00 0.00 H new ATOM 982 N ILE A1023 -18.513 -3.970 4.112 1.00 0.00 N ATOM 983 CA ILE A1023 -18.602 -4.361 5.514 1.00 0.00 C ATOM 984 C ILE A1023 -19.959 -4.994 5.823 1.00 0.00 C ATOM 985 O ILE A1023 -21.002 -4.399 5.554 1.00 0.00 O ATOM 986 CB ILE A1023 -18.387 -3.154 6.449 1.00 0.00 C ATOM 987 CG1 ILE A1023 -17.056 -2.467 6.130 1.00 0.00 C ATOM 988 CG2 ILE A1023 -18.426 -3.597 7.904 1.00 0.00 C ATOM 989 CD1 ILE A1023 -16.823 -1.196 6.918 1.00 0.00 C ATOM 0 H ILE A1023 -18.396 -2.968 3.961 1.00 0.00 H new ATOM 0 HA ILE A1023 -17.813 -5.092 5.690 1.00 0.00 H new ATOM 0 HB ILE A1023 -19.193 -2.438 6.287 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -16.241 -3.163 6.330 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -17.023 -2.235 5.065 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -18.273 -2.734 8.551 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -19.395 -4.046 8.122 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -17.638 -4.329 8.083 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -15.861 -0.766 6.639 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -17.617 -0.482 6.700 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -16.823 -1.424 7.984 1.00 0.00 H new ATOM 1001 N PRO A1024 -19.960 -6.211 6.396 1.00 0.00 N ATOM 1002 CA PRO A1024 -21.196 -6.916 6.747 1.00 0.00 C ATOM 1003 C PRO A1024 -21.929 -6.255 7.910 1.00 0.00 C ATOM 1004 O PRO A1024 -22.796 -5.394 7.648 1.00 0.00 O ATOM 1005 CB PRO A1024 -20.711 -8.313 7.143 1.00 0.00 C ATOM 1006 CG PRO A1024 -19.304 -8.114 7.587 1.00 0.00 C ATOM 1007 CD PRO A1024 -18.758 -6.993 6.747 1.00 0.00 C ATOM 1008 OXT PRO A1024 -21.631 -6.602 9.072 1.00 0.00 O ATOM 0 HA PRO A1024 -21.911 -6.918 5.924 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -21.323 -8.733 7.942 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -20.767 -9.004 6.302 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -19.261 -7.864 8.647 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -18.720 -9.024 7.451 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -18.035 -6.392 7.299 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -18.249 -7.368 5.859 1.00 0.00 H new