USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 THR OG1 : rot 180:sc= -0.0202 USER MOD Set 1.2: A 72 ASN : amide:sc= -0.0468 K(o=-0.067,f=-1.6!) USER MOD Set 2.1: A 68 GLN : amide:sc= -0.0724 X(o=-0.072,f=-0.13) USER MOD Set 2.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 20:sc= 0.161 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -62:sc= 0.51 USER MOD Single : A 18 THR OG1 : rot -70:sc= 1.02 USER MOD Single : A 19 SER OG : rot 180:sc= -0.346 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -138:sc= -1.47 (180deg=-4.16!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -66:sc= 1.24 USER MOD Single : A 54 SER OG : rot 121:sc= -0.143 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.176 K(o=-0.18,f=-0.72) USER MOD Single : A 65 ASN : amide:sc= -0.0069 X(o=-0.0069,f=-0.0016) USER MOD Single : A 77 HIS : no HD1:sc= -15.1! C(o=-15!,f=-13!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -12.151 -15.034 3.392 1.00 0.00 N ATOM 93 CA SER A 9 -10.955 -14.613 4.101 1.00 0.00 C ATOM 94 C SER A 9 -10.143 -13.650 3.231 1.00 0.00 C ATOM 95 O SER A 9 -9.148 -14.045 2.626 1.00 0.00 O ATOM 96 CB SER A 9 -10.100 -15.816 4.501 1.00 0.00 C ATOM 97 OG SER A 9 -10.470 -16.334 5.776 1.00 0.00 O ATOM 0 HA SER A 9 -11.260 -14.100 5.013 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.201 -16.598 3.749 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.050 -15.524 4.519 1.00 0.00 H new ATOM 0 HG SER A 9 -9.902 -17.102 5.994 1.00 0.00 H new ATOM 103 N LYS A 10 -10.598 -12.406 3.198 1.00 0.00 N ATOM 104 CA LYS A 10 -9.926 -11.385 2.413 1.00 0.00 C ATOM 105 C LYS A 10 -9.599 -10.191 3.312 1.00 0.00 C ATOM 106 O LYS A 10 -10.012 -10.149 4.469 1.00 0.00 O ATOM 107 CB LYS A 10 -10.761 -11.019 1.184 1.00 0.00 C ATOM 108 CG LYS A 10 -10.588 -12.059 0.075 1.00 0.00 C ATOM 109 CD LYS A 10 -10.920 -11.460 -1.294 1.00 0.00 C ATOM 110 CE LYS A 10 -12.144 -12.142 -1.908 1.00 0.00 C ATOM 111 NZ LYS A 10 -12.761 -11.273 -2.935 1.00 0.00 N ATOM 0 H LYS A 10 -11.424 -12.082 3.702 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.979 -11.762 2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.813 -10.950 1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.463 -10.037 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.563 -12.429 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.236 -12.914 0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.108 -10.391 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.065 -11.571 -1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.852 -13.092 -2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.872 -12.367 -1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.590 -11.751 -3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.057 -10.377 -2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.069 -11.080 -3.687 1.00 0.00 H new ATOM 125 N VAL A 11 -8.859 -9.249 2.744 1.00 0.00 N ATOM 126 CA VAL A 11 -8.471 -8.058 3.480 1.00 0.00 C ATOM 127 C VAL A 11 -8.677 -6.827 2.594 1.00 0.00 C ATOM 128 O VAL A 11 -8.633 -6.926 1.368 1.00 0.00 O ATOM 129 CB VAL A 11 -7.033 -8.198 3.983 1.00 0.00 C ATOM 130 CG1 VAL A 11 -6.894 -9.402 4.918 1.00 0.00 C ATOM 131 CG2 VAL A 11 -6.050 -8.295 2.814 1.00 0.00 C ATOM 0 H VAL A 11 -8.518 -9.287 1.783 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.099 -7.933 4.362 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.788 -7.301 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.862 -9.479 5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.553 -9.274 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.167 -10.312 4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.035 -8.394 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.293 -9.166 2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.120 -7.395 2.204 1.00 0.00 H new ATOM 141 N SER A 12 -8.897 -5.696 3.248 1.00 0.00 N ATOM 142 CA SER A 12 -9.110 -4.448 2.535 1.00 0.00 C ATOM 143 C SER A 12 -8.022 -3.440 2.910 1.00 0.00 C ATOM 144 O SER A 12 -7.772 -3.202 4.090 1.00 0.00 O ATOM 145 CB SER A 12 -10.495 -3.872 2.835 1.00 0.00 C ATOM 146 OG SER A 12 -10.626 -3.480 4.199 1.00 0.00 O ATOM 0 H SER A 12 -8.932 -5.618 4.264 1.00 0.00 H new ATOM 0 HA SER A 12 -9.055 -4.651 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.677 -3.011 2.191 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.256 -4.615 2.597 1.00 0.00 H new ATOM 0 HG SER A 12 -9.736 -3.353 4.590 1.00 0.00 H new ATOM 152 N PHE A 13 -7.405 -2.874 1.883 1.00 0.00 N ATOM 153 CA PHE A 13 -6.350 -1.896 2.090 1.00 0.00 C ATOM 154 C PHE A 13 -6.837 -0.485 1.754 1.00 0.00 C ATOM 155 O PHE A 13 -7.331 -0.241 0.654 1.00 0.00 O ATOM 156 CB PHE A 13 -5.206 -2.267 1.145 1.00 0.00 C ATOM 157 CG PHE A 13 -4.934 -3.770 1.055 1.00 0.00 C ATOM 158 CD1 PHE A 13 -4.178 -4.382 2.006 1.00 0.00 C ATOM 159 CD2 PHE A 13 -5.449 -4.493 0.025 1.00 0.00 C ATOM 160 CE1 PHE A 13 -3.927 -5.778 1.922 1.00 0.00 C ATOM 161 CE2 PHE A 13 -5.198 -5.888 -0.058 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.442 -6.501 0.892 1.00 0.00 C ATOM 0 H PHE A 13 -7.615 -3.074 0.905 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.035 -1.903 3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.435 -1.890 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.298 -1.763 1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.769 -3.807 2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.049 -4.006 -0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.327 -6.265 2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.608 -6.462 -0.876 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.251 -7.562 0.828 1.00 0.00 H new ATOM 172 N LYS A 14 -6.680 0.407 2.721 1.00 0.00 N ATOM 173 CA LYS A 14 -7.097 1.787 2.542 1.00 0.00 C ATOM 174 C LYS A 14 -5.864 2.660 2.296 1.00 0.00 C ATOM 175 O LYS A 14 -5.210 3.097 3.241 1.00 0.00 O ATOM 176 CB LYS A 14 -7.950 2.247 3.725 1.00 0.00 C ATOM 177 CG LYS A 14 -9.119 3.114 3.255 1.00 0.00 C ATOM 178 CD LYS A 14 -10.173 3.258 4.355 1.00 0.00 C ATOM 179 CE LYS A 14 -11.367 2.338 4.095 1.00 0.00 C ATOM 180 NZ LYS A 14 -11.391 1.232 5.079 1.00 0.00 N ATOM 0 H LYS A 14 -6.269 0.201 3.632 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.735 1.881 1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.330 1.379 4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.333 2.811 4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.753 4.099 2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.572 2.670 2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.730 3.020 5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.511 4.293 4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.294 2.908 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.309 1.933 3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.207 0.616 4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.514 0.678 5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.469 1.623 6.039 1.00 0.00 H new ATOM 194 N ILE A 15 -5.585 2.887 1.020 1.00 0.00 N ATOM 195 CA ILE A 15 -4.443 3.699 0.638 1.00 0.00 C ATOM 196 C ILE A 15 -4.938 5.004 0.012 1.00 0.00 C ATOM 197 O ILE A 15 -5.944 5.015 -0.695 1.00 0.00 O ATOM 198 CB ILE A 15 -3.497 2.904 -0.264 1.00 0.00 C ATOM 199 CG1 ILE A 15 -3.046 1.611 0.419 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.311 3.762 -0.707 1.00 0.00 C ATOM 201 CD1 ILE A 15 -3.151 0.421 -0.537 1.00 0.00 C ATOM 0 H ILE A 15 -6.130 2.523 0.239 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.856 3.968 1.516 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.042 2.620 -1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.017 1.717 0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.659 1.428 1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.654 3.173 -1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.675 4.628 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.757 4.098 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.825 -0.485 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.186 0.303 -0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.518 0.596 -1.407 1.00 0.00 H new ATOM 213 N THR A 16 -4.207 6.073 0.293 1.00 0.00 N ATOM 214 CA THR A 16 -4.559 7.381 -0.234 1.00 0.00 C ATOM 215 C THR A 16 -3.403 7.953 -1.057 1.00 0.00 C ATOM 216 O THR A 16 -2.374 8.337 -0.505 1.00 0.00 O ATOM 217 CB THR A 16 -4.967 8.270 0.942 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.357 8.008 1.111 1.00 0.00 O ATOM 219 CG2 THR A 16 -4.908 9.760 0.597 1.00 0.00 C ATOM 0 H THR A 16 -3.372 6.060 0.879 1.00 0.00 H new ATOM 0 HA THR A 16 -5.404 7.317 -0.920 1.00 0.00 H new ATOM 0 HB THR A 16 -4.316 8.068 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.842 8.279 0.303 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.207 10.347 1.466 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.891 10.027 0.311 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.584 9.969 -0.232 1.00 0.00 H new ATOM 227 N LEU A 17 -3.612 7.991 -2.365 1.00 0.00 N ATOM 228 CA LEU A 17 -2.601 8.510 -3.270 1.00 0.00 C ATOM 229 C LEU A 17 -2.137 9.882 -2.776 1.00 0.00 C ATOM 230 O LEU A 17 -2.945 10.795 -2.618 1.00 0.00 O ATOM 231 CB LEU A 17 -3.122 8.518 -4.708 1.00 0.00 C ATOM 232 CG LEU A 17 -2.067 8.349 -5.804 1.00 0.00 C ATOM 233 CD1 LEU A 17 -1.396 6.977 -5.713 1.00 0.00 C ATOM 234 CD2 LEU A 17 -2.670 8.602 -7.188 1.00 0.00 C ATOM 0 H LEU A 17 -4.467 7.671 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.726 7.860 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.857 7.719 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.647 9.458 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.290 9.098 -5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.651 6.883 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.911 6.873 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.148 6.196 -5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.900 8.476 -7.949 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.478 7.893 -7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.062 9.618 -7.234 1.00 0.00 H new ATOM 246 N THR A 18 -0.836 9.984 -2.547 1.00 0.00 N ATOM 247 CA THR A 18 -0.254 11.229 -2.074 1.00 0.00 C ATOM 248 C THR A 18 0.866 11.684 -3.012 1.00 0.00 C ATOM 249 O THR A 18 2.010 11.841 -2.589 1.00 0.00 O ATOM 250 CB THR A 18 0.210 11.017 -0.632 1.00 0.00 C ATOM 251 OG1 THR A 18 0.945 12.199 -0.326 1.00 0.00 O ATOM 252 CG2 THR A 18 1.242 9.894 -0.508 1.00 0.00 C ATOM 0 H THR A 18 -0.168 9.225 -2.680 1.00 0.00 H new ATOM 0 HA THR A 18 -0.988 12.035 -2.079 1.00 0.00 H new ATOM 0 HB THR A 18 -0.651 10.790 -0.004 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.781 12.206 -0.838 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.538 9.785 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.807 8.959 -0.861 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.118 10.137 -1.110 1.00 0.00 H new ATOM 260 N SER A 19 0.497 11.883 -4.269 1.00 0.00 N ATOM 261 CA SER A 19 1.456 12.317 -5.271 1.00 0.00 C ATOM 262 C SER A 19 0.831 13.391 -6.163 1.00 0.00 C ATOM 263 O SER A 19 1.360 14.496 -6.273 1.00 0.00 O ATOM 264 CB SER A 19 1.939 11.138 -6.119 1.00 0.00 C ATOM 265 OG SER A 19 0.909 10.630 -6.963 1.00 0.00 O ATOM 0 H SER A 19 -0.453 11.752 -4.617 1.00 0.00 H new ATOM 0 HA SER A 19 2.320 12.738 -4.757 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.785 11.453 -6.729 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.296 10.343 -5.464 1.00 0.00 H new ATOM 0 HG SER A 19 1.257 9.880 -7.489 1.00 0.00 H new ATOM 271 N ASP A 20 -0.286 13.029 -6.777 1.00 0.00 N ATOM 272 CA ASP A 20 -0.988 13.949 -7.655 1.00 0.00 C ATOM 273 C ASP A 20 -1.609 15.071 -6.821 1.00 0.00 C ATOM 274 O ASP A 20 -1.568 15.032 -5.592 1.00 0.00 O ATOM 275 CB ASP A 20 -2.116 13.239 -8.407 1.00 0.00 C ATOM 276 CG ASP A 20 -1.909 13.117 -9.918 1.00 0.00 C ATOM 277 OD1 ASP A 20 -0.744 13.271 -10.346 1.00 0.00 O ATOM 278 OD2 ASP A 20 -2.919 12.872 -10.612 1.00 0.00 O ATOM 0 H ASP A 20 -0.722 12.112 -6.684 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.269 14.345 -8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.237 12.239 -7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.047 13.775 -8.225 1.00 0.00 H new ATOM 283 N PRO A 21 -2.186 16.071 -7.541 1.00 0.00 N ATOM 284 CA PRO A 21 -2.815 17.201 -6.880 1.00 0.00 C ATOM 285 C PRO A 21 -4.167 16.805 -6.282 1.00 0.00 C ATOM 286 O PRO A 21 -5.189 17.418 -6.587 1.00 0.00 O ATOM 287 CB PRO A 21 -2.932 18.270 -7.954 1.00 0.00 C ATOM 288 CG PRO A 21 -2.793 17.543 -9.282 1.00 0.00 C ATOM 289 CD PRO A 21 -2.255 16.150 -8.997 1.00 0.00 C ATOM 0 HA PRO A 21 -2.236 17.567 -6.033 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.890 18.786 -7.889 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.155 19.026 -7.839 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.757 17.484 -9.787 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.118 18.085 -9.945 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.911 15.381 -9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.274 16.004 -9.449 1.00 0.00 H new ATOM 297 N ARG A 22 -4.129 15.782 -5.441 1.00 0.00 N ATOM 298 CA ARG A 22 -5.337 15.296 -4.798 1.00 0.00 C ATOM 299 C ARG A 22 -4.995 14.216 -3.770 1.00 0.00 C ATOM 300 O ARG A 22 -3.869 13.722 -3.735 1.00 0.00 O ATOM 301 CB ARG A 22 -6.315 14.721 -5.825 1.00 0.00 C ATOM 302 CG ARG A 22 -7.224 15.815 -6.388 1.00 0.00 C ATOM 303 CD ARG A 22 -8.653 15.299 -6.573 1.00 0.00 C ATOM 304 NE ARG A 22 -9.060 15.432 -7.989 1.00 0.00 N ATOM 305 CZ ARG A 22 -8.693 14.583 -8.959 1.00 0.00 C ATOM 306 NH1 ARG A 22 -7.909 13.535 -8.671 1.00 0.00 N ATOM 307 NH2 ARG A 22 -9.111 14.782 -10.217 1.00 0.00 N ATOM 0 H ARG A 22 -3.280 15.276 -5.190 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.808 16.142 -4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.760 14.250 -6.637 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.921 13.943 -5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.227 16.672 -5.715 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.832 16.162 -7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.714 14.255 -6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.336 15.860 -5.935 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.657 16.219 -8.243 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.592 13.383 -7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.630 12.889 -9.409 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.708 15.579 -10.436 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.832 14.136 -10.955 1.00 0.00 H new ATOM 321 N LEU A 23 -5.986 13.881 -2.957 1.00 0.00 N ATOM 322 CA LEU A 23 -5.804 12.869 -1.931 1.00 0.00 C ATOM 323 C LEU A 23 -6.949 11.857 -2.009 1.00 0.00 C ATOM 324 O LEU A 23 -7.797 11.805 -1.120 1.00 0.00 O ATOM 325 CB LEU A 23 -5.652 13.521 -0.556 1.00 0.00 C ATOM 326 CG LEU A 23 -4.220 13.824 -0.111 1.00 0.00 C ATOM 327 CD1 LEU A 23 -3.436 12.533 0.133 1.00 0.00 C ATOM 328 CD2 LEU A 23 -3.516 14.740 -1.115 1.00 0.00 C ATOM 0 H LEU A 23 -6.919 14.293 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.879 12.318 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.217 14.453 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.111 12.868 0.186 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.264 14.358 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.422 12.777 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.928 11.950 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.399 11.950 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.500 14.940 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.483 14.254 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.063 15.679 -1.196 1.00 0.00 H new ATOM 340 N PRO A 24 -6.937 11.059 -3.110 1.00 0.00 N ATOM 341 CA PRO A 24 -7.964 10.052 -3.316 1.00 0.00 C ATOM 342 C PRO A 24 -7.744 8.848 -2.398 1.00 0.00 C ATOM 343 O PRO A 24 -6.783 8.816 -1.630 1.00 0.00 O ATOM 344 CB PRO A 24 -7.877 9.697 -4.791 1.00 0.00 C ATOM 345 CG PRO A 24 -6.509 10.171 -5.254 1.00 0.00 C ATOM 346 CD PRO A 24 -5.948 11.093 -4.184 1.00 0.00 C ATOM 0 HA PRO A 24 -8.962 10.412 -3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.990 8.623 -4.942 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.671 10.184 -5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.844 9.322 -5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.589 10.696 -6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.974 10.749 -3.836 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.812 12.105 -4.565 1.00 0.00 H new ATOM 354 N TYR A 25 -8.650 7.888 -2.506 1.00 0.00 N ATOM 355 CA TYR A 25 -8.567 6.685 -1.695 1.00 0.00 C ATOM 356 C TYR A 25 -8.726 5.431 -2.556 1.00 0.00 C ATOM 357 O TYR A 25 -9.341 5.478 -3.621 1.00 0.00 O ATOM 358 CB TYR A 25 -9.732 6.762 -0.706 1.00 0.00 C ATOM 359 CG TYR A 25 -11.058 6.241 -1.265 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.820 7.042 -2.091 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.490 4.971 -0.943 1.00 0.00 C ATOM 362 CE1 TYR A 25 -13.068 6.552 -2.616 1.00 0.00 C ATOM 363 CE2 TYR A 25 -12.738 4.481 -1.469 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.465 5.295 -2.280 1.00 0.00 C ATOM 365 OH TYR A 25 -14.644 4.832 -2.777 1.00 0.00 O ATOM 0 H TYR A 25 -9.446 7.919 -3.143 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.599 6.624 -1.197 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.476 6.191 0.186 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.863 7.798 -0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.480 8.036 -2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.893 4.345 -0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.675 7.169 -3.262 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.089 3.489 -1.225 1.00 0.00 H new ATOM 0 HH TYR A 25 -14.799 3.920 -2.455 1.00 0.00 H new ATOM 375 N LYS A 26 -8.162 4.338 -2.064 1.00 0.00 N ATOM 376 CA LYS A 26 -8.234 3.073 -2.776 1.00 0.00 C ATOM 377 C LYS A 26 -8.618 1.963 -1.796 1.00 0.00 C ATOM 378 O LYS A 26 -8.285 2.030 -0.614 1.00 0.00 O ATOM 379 CB LYS A 26 -6.927 2.805 -3.526 1.00 0.00 C ATOM 380 CG LYS A 26 -7.189 2.565 -5.014 1.00 0.00 C ATOM 381 CD LYS A 26 -7.662 1.131 -5.263 1.00 0.00 C ATOM 382 CE LYS A 26 -6.754 0.421 -6.270 1.00 0.00 C ATOM 383 NZ LYS A 26 -7.311 -0.903 -6.625 1.00 0.00 N ATOM 0 H LYS A 26 -7.653 4.302 -1.181 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.011 3.109 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.253 3.653 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.428 1.936 -3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.942 3.267 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.279 2.755 -5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.671 0.579 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.686 1.142 -5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.649 1.031 -7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.756 0.301 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.544 -1.604 -6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.009 -1.189 -5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.773 -0.847 -7.555 1.00 0.00 H new ATOM 397 N VAL A 27 -9.316 0.967 -2.323 1.00 0.00 N ATOM 398 CA VAL A 27 -9.749 -0.156 -1.510 1.00 0.00 C ATOM 399 C VAL A 27 -9.538 -1.456 -2.289 1.00 0.00 C ATOM 400 O VAL A 27 -10.383 -1.845 -3.094 1.00 0.00 O ATOM 401 CB VAL A 27 -11.200 0.048 -1.068 1.00 0.00 C ATOM 402 CG1 VAL A 27 -11.794 -1.252 -0.522 1.00 0.00 C ATOM 403 CG2 VAL A 27 -11.307 1.174 -0.039 1.00 0.00 C ATOM 0 H VAL A 27 -9.592 0.915 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.152 -0.222 -0.600 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.779 0.340 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.826 -1.080 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.769 -2.017 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.211 -1.586 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.348 1.298 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.707 0.925 0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.942 2.103 -0.477 1.00 0.00 H new ATOM 413 N LEU A 28 -8.407 -2.091 -2.022 1.00 0.00 N ATOM 414 CA LEU A 28 -8.074 -3.339 -2.688 1.00 0.00 C ATOM 415 C LEU A 28 -8.549 -4.513 -1.829 1.00 0.00 C ATOM 416 O LEU A 28 -8.392 -4.498 -0.609 1.00 0.00 O ATOM 417 CB LEU A 28 -6.582 -3.386 -3.022 1.00 0.00 C ATOM 418 CG LEU A 28 -6.217 -3.173 -4.493 1.00 0.00 C ATOM 419 CD1 LEU A 28 -4.874 -2.453 -4.626 1.00 0.00 C ATOM 420 CD2 LEU A 28 -6.236 -4.497 -5.260 1.00 0.00 C ATOM 0 H LEU A 28 -7.709 -1.765 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.594 -3.412 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.073 -2.627 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.190 -4.353 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.973 -2.529 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.638 -2.314 -5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.932 -1.481 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.093 -3.050 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.973 -4.317 -6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.515 -5.184 -4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.233 -4.934 -5.207 1.00 0.00 H new ATOM 432 N SER A 29 -9.121 -5.502 -2.500 1.00 0.00 N ATOM 433 CA SER A 29 -9.621 -6.681 -1.814 1.00 0.00 C ATOM 434 C SER A 29 -8.893 -7.928 -2.320 1.00 0.00 C ATOM 435 O SER A 29 -9.117 -8.367 -3.447 1.00 0.00 O ATOM 436 CB SER A 29 -11.131 -6.832 -2.006 1.00 0.00 C ATOM 437 OG SER A 29 -11.817 -6.959 -0.764 1.00 0.00 O ATOM 0 H SER A 29 -9.249 -5.511 -3.512 1.00 0.00 H new ATOM 0 HA SER A 29 -9.429 -6.564 -0.747 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.516 -5.967 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.332 -7.708 -2.623 1.00 0.00 H new ATOM 0 HG SER A 29 -12.779 -7.051 -0.929 1.00 0.00 H new ATOM 443 N VAL A 30 -8.037 -8.464 -1.462 1.00 0.00 N ATOM 444 CA VAL A 30 -7.276 -9.652 -1.809 1.00 0.00 C ATOM 445 C VAL A 30 -7.267 -10.612 -0.617 1.00 0.00 C ATOM 446 O VAL A 30 -7.481 -10.197 0.520 1.00 0.00 O ATOM 447 CB VAL A 30 -5.871 -9.258 -2.268 1.00 0.00 C ATOM 448 CG1 VAL A 30 -5.932 -8.193 -3.365 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.021 -8.782 -1.089 1.00 0.00 C ATOM 0 H VAL A 30 -7.854 -8.098 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.742 -10.174 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.395 -10.145 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.920 -7.930 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.483 -8.583 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.437 -7.306 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.027 -8.508 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.493 -7.915 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.936 -9.583 -0.355 1.00 0.00 H new ATOM 459 N PRO A 31 -7.012 -11.912 -0.928 1.00 0.00 N ATOM 460 CA PRO A 31 -6.973 -12.934 0.103 1.00 0.00 C ATOM 461 C PRO A 31 -5.682 -12.840 0.920 1.00 0.00 C ATOM 462 O PRO A 31 -4.608 -12.613 0.366 1.00 0.00 O ATOM 463 CB PRO A 31 -7.108 -14.251 -0.643 1.00 0.00 C ATOM 464 CG PRO A 31 -6.751 -13.949 -2.090 1.00 0.00 C ATOM 465 CD PRO A 31 -6.754 -12.439 -2.265 1.00 0.00 C ATOM 0 HA PRO A 31 -7.772 -12.823 0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.442 -15.006 -0.226 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.122 -14.642 -0.564 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.772 -14.360 -2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.470 -14.413 -2.765 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.800 -12.083 -2.654 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.523 -12.124 -2.970 1.00 0.00 H new ATOM 473 N GLU A 32 -5.831 -13.018 2.225 1.00 0.00 N ATOM 474 CA GLU A 32 -4.692 -12.956 3.124 1.00 0.00 C ATOM 475 C GLU A 32 -3.470 -13.613 2.478 1.00 0.00 C ATOM 476 O GLU A 32 -2.427 -12.978 2.327 1.00 0.00 O ATOM 477 CB GLU A 32 -5.018 -13.608 4.469 1.00 0.00 C ATOM 478 CG GLU A 32 -6.137 -12.853 5.187 1.00 0.00 C ATOM 479 CD GLU A 32 -6.147 -13.179 6.682 1.00 0.00 C ATOM 480 OE1 GLU A 32 -5.037 -13.308 7.242 1.00 0.00 O ATOM 481 OE2 GLU A 32 -7.265 -13.292 7.231 1.00 0.00 O ATOM 0 H GLU A 32 -6.724 -13.205 2.681 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.460 -11.908 3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.316 -14.645 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.126 -13.625 5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.005 -11.780 5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.099 -13.117 4.747 1.00 0.00 H new ATOM 488 N SER A 33 -3.640 -14.875 2.114 1.00 0.00 N ATOM 489 CA SER A 33 -2.564 -15.625 1.487 1.00 0.00 C ATOM 490 C SER A 33 -1.769 -14.714 0.549 1.00 0.00 C ATOM 491 O SER A 33 -0.586 -14.464 0.776 1.00 0.00 O ATOM 492 CB SER A 33 -3.107 -16.832 0.721 1.00 0.00 C ATOM 493 OG SER A 33 -2.280 -17.982 0.880 1.00 0.00 O ATOM 0 H SER A 33 -4.507 -15.398 2.241 1.00 0.00 H new ATOM 0 HA SER A 33 -1.903 -15.995 2.271 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.115 -17.059 1.070 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.184 -16.585 -0.338 1.00 0.00 H new ATOM 0 HG SER A 33 -2.662 -18.732 0.377 1.00 0.00 H new ATOM 499 N THR A 34 -2.450 -14.244 -0.485 1.00 0.00 N ATOM 500 CA THR A 34 -1.822 -13.367 -1.458 1.00 0.00 C ATOM 501 C THR A 34 -0.873 -12.390 -0.762 1.00 0.00 C ATOM 502 O THR A 34 -1.159 -11.918 0.337 1.00 0.00 O ATOM 503 CB THR A 34 -2.930 -12.674 -2.255 1.00 0.00 C ATOM 504 OG1 THR A 34 -3.355 -13.662 -3.190 1.00 0.00 O ATOM 505 CG2 THR A 34 -2.399 -11.537 -3.129 1.00 0.00 C ATOM 0 H THR A 34 -3.431 -14.454 -0.670 1.00 0.00 H new ATOM 0 HA THR A 34 -1.203 -13.931 -2.156 1.00 0.00 H new ATOM 0 HB THR A 34 -3.681 -12.283 -1.568 1.00 0.00 H new ATOM 0 HG1 THR A 34 -4.074 -13.297 -3.747 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.226 -11.080 -3.673 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.920 -10.787 -2.499 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.673 -11.933 -3.839 1.00 0.00 H new ATOM 513 N PRO A 35 0.267 -12.109 -1.448 1.00 0.00 N ATOM 514 CA PRO A 35 1.260 -11.197 -0.907 1.00 0.00 C ATOM 515 C PRO A 35 0.792 -9.745 -1.022 1.00 0.00 C ATOM 516 O PRO A 35 -0.052 -9.425 -1.857 1.00 0.00 O ATOM 517 CB PRO A 35 2.526 -11.477 -1.701 1.00 0.00 C ATOM 518 CG PRO A 35 2.076 -12.199 -2.961 1.00 0.00 C ATOM 519 CD PRO A 35 0.639 -12.649 -2.752 1.00 0.00 C ATOM 0 HA PRO A 35 1.432 -11.348 0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.046 -10.551 -1.946 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.220 -12.090 -1.126 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.147 -11.539 -3.825 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.719 -13.056 -3.160 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.013 -12.269 -3.538 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.558 -13.736 -2.768 1.00 0.00 H new ATOM 527 N PHE A 36 1.360 -8.904 -0.170 1.00 0.00 N ATOM 528 CA PHE A 36 1.011 -7.493 -0.165 1.00 0.00 C ATOM 529 C PHE A 36 1.749 -6.742 -1.276 1.00 0.00 C ATOM 530 O PHE A 36 1.433 -5.590 -1.567 1.00 0.00 O ATOM 531 CB PHE A 36 1.444 -6.930 1.190 1.00 0.00 C ATOM 532 CG PHE A 36 0.641 -5.709 1.641 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.892 -4.489 1.094 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.325 -5.842 2.590 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.147 -3.356 1.513 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.070 -4.709 3.009 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.819 -3.489 2.461 1.00 0.00 C ATOM 0 H PHE A 36 2.060 -9.173 0.522 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.060 -7.374 -0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.351 -7.712 1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.499 -6.660 1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.658 -4.383 0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.525 -6.810 3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.347 -2.388 1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.836 -4.815 3.763 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.387 -2.627 2.779 1.00 0.00 H new ATOM 547 N THR A 37 2.718 -7.426 -1.866 1.00 0.00 N ATOM 548 CA THR A 37 3.504 -6.838 -2.937 1.00 0.00 C ATOM 549 C THR A 37 2.643 -6.651 -4.188 1.00 0.00 C ATOM 550 O THR A 37 2.803 -5.671 -4.915 1.00 0.00 O ATOM 551 CB THR A 37 4.727 -7.727 -3.170 1.00 0.00 C ATOM 552 OG1 THR A 37 5.634 -6.891 -3.883 1.00 0.00 O ATOM 553 CG2 THR A 37 4.440 -8.877 -4.138 1.00 0.00 C ATOM 0 H THR A 37 2.977 -8.382 -1.623 1.00 0.00 H new ATOM 0 HA THR A 37 3.855 -5.842 -2.669 1.00 0.00 H new ATOM 0 HB THR A 37 5.068 -8.132 -2.217 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.456 -7.389 -4.074 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.341 -9.477 -4.268 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.643 -9.502 -3.735 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.131 -8.473 -5.102 1.00 0.00 H new ATOM 561 N ALA A 38 1.748 -7.605 -4.400 1.00 0.00 N ATOM 562 CA ALA A 38 0.862 -7.557 -5.551 1.00 0.00 C ATOM 563 C ALA A 38 -0.107 -6.383 -5.394 1.00 0.00 C ATOM 564 O ALA A 38 -0.530 -5.786 -6.384 1.00 0.00 O ATOM 565 CB ALA A 38 0.136 -8.896 -5.692 1.00 0.00 C ATOM 0 H ALA A 38 1.617 -8.415 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 38 1.431 -7.396 -6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.529 -8.860 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.866 -9.693 -5.829 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.448 -9.090 -4.792 1.00 0.00 H new ATOM 571 N VAL A 39 -0.430 -6.086 -4.144 1.00 0.00 N ATOM 572 CA VAL A 39 -1.340 -4.994 -3.846 1.00 0.00 C ATOM 573 C VAL A 39 -0.773 -3.692 -4.415 1.00 0.00 C ATOM 574 O VAL A 39 -1.447 -2.994 -5.171 1.00 0.00 O ATOM 575 CB VAL A 39 -1.599 -4.925 -2.339 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.521 -3.754 -1.994 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.171 -6.245 -1.820 1.00 0.00 C ATOM 0 H VAL A 39 -0.078 -6.583 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.306 -5.162 -4.321 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.644 -4.756 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.689 -3.728 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.057 -2.820 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.475 -3.879 -2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.346 -6.169 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.112 -6.458 -2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.463 -7.050 -2.016 1.00 0.00 H new ATOM 587 N LEU A 40 0.462 -3.404 -4.030 1.00 0.00 N ATOM 588 CA LEU A 40 1.128 -2.198 -4.493 1.00 0.00 C ATOM 589 C LEU A 40 0.934 -2.062 -6.005 1.00 0.00 C ATOM 590 O LEU A 40 0.331 -1.097 -6.472 1.00 0.00 O ATOM 591 CB LEU A 40 2.595 -2.196 -4.059 1.00 0.00 C ATOM 592 CG LEU A 40 3.259 -0.822 -3.944 1.00 0.00 C ATOM 593 CD1 LEU A 40 4.239 -0.784 -2.770 1.00 0.00 C ATOM 594 CD2 LEU A 40 3.926 -0.424 -5.262 1.00 0.00 C ATOM 0 H LEU A 40 1.019 -3.985 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 40 0.682 -1.316 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.668 -2.695 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.164 -2.794 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 40 2.484 -0.083 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.697 0.203 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.705 -0.993 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.014 -1.535 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.390 0.556 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.688 -1.160 -5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.176 -0.385 -6.052 1.00 0.00 H new ATOM 606 N LYS A 41 1.456 -3.042 -6.727 1.00 0.00 N ATOM 607 CA LYS A 41 1.348 -3.043 -8.176 1.00 0.00 C ATOM 608 C LYS A 41 -0.108 -2.793 -8.574 1.00 0.00 C ATOM 609 O LYS A 41 -0.416 -1.792 -9.219 1.00 0.00 O ATOM 610 CB LYS A 41 1.931 -4.333 -8.756 1.00 0.00 C ATOM 611 CG LYS A 41 3.432 -4.432 -8.473 1.00 0.00 C ATOM 612 CD LYS A 41 3.998 -5.762 -8.974 1.00 0.00 C ATOM 613 CE LYS A 41 4.422 -6.652 -7.804 1.00 0.00 C ATOM 614 NZ LYS A 41 5.764 -7.225 -8.048 1.00 0.00 N ATOM 0 H LYS A 41 1.955 -3.841 -6.336 1.00 0.00 H new ATOM 0 HA LYS A 41 1.940 -2.233 -8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.419 -5.194 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.757 -4.363 -9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.952 -3.606 -8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.611 -4.337 -7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.248 -6.277 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.854 -5.576 -9.623 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.431 -6.071 -6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.697 -7.454 -7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.036 -7.826 -7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.745 -7.796 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.456 -6.456 -8.155 1.00 0.00 H new ATOM 628 N PHE A 42 -0.965 -3.721 -8.174 1.00 0.00 N ATOM 629 CA PHE A 42 -2.381 -3.614 -8.481 1.00 0.00 C ATOM 630 C PHE A 42 -2.887 -2.189 -8.249 1.00 0.00 C ATOM 631 O PHE A 42 -3.495 -1.590 -9.135 1.00 0.00 O ATOM 632 CB PHE A 42 -3.117 -4.564 -7.534 1.00 0.00 C ATOM 633 CG PHE A 42 -4.503 -4.986 -8.028 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.415 -4.041 -8.382 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.821 -6.305 -8.115 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.701 -4.433 -8.840 1.00 0.00 C ATOM 637 CE2 PHE A 42 -6.107 -6.696 -8.573 1.00 0.00 C ATOM 638 CZ PHE A 42 -7.020 -5.752 -8.926 1.00 0.00 C ATOM 0 H PHE A 42 -0.706 -4.550 -7.640 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.555 -3.866 -9.527 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.508 -5.456 -7.386 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.220 -4.083 -6.561 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.161 -2.993 -8.315 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.096 -7.055 -7.836 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.426 -3.683 -9.120 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.360 -7.744 -8.641 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.998 -6.050 -9.274 1.00 0.00 H new ATOM 648 N ALA A 43 -2.616 -1.686 -7.054 1.00 0.00 N ATOM 649 CA ALA A 43 -3.036 -0.343 -6.694 1.00 0.00 C ATOM 650 C ALA A 43 -2.364 0.664 -7.630 1.00 0.00 C ATOM 651 O ALA A 43 -2.967 1.670 -8.002 1.00 0.00 O ATOM 652 CB ALA A 43 -2.706 -0.081 -5.223 1.00 0.00 C ATOM 0 H ALA A 43 -2.110 -2.185 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.114 -0.234 -6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.021 0.927 -4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.230 -0.804 -4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.631 -0.179 -5.068 1.00 0.00 H new ATOM 658 N ALA A 44 -1.124 0.359 -7.983 1.00 0.00 N ATOM 659 CA ALA A 44 -0.363 1.225 -8.869 1.00 0.00 C ATOM 660 C ALA A 44 -1.049 1.278 -10.236 1.00 0.00 C ATOM 661 O ALA A 44 -1.550 2.325 -10.643 1.00 0.00 O ATOM 662 CB ALA A 44 1.079 0.723 -8.959 1.00 0.00 C ATOM 0 H ALA A 44 -0.627 -0.476 -7.672 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.330 2.242 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.649 1.372 -9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.530 0.732 -7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.086 -0.294 -9.351 1.00 0.00 H new ATOM 668 N GLU A 45 -1.049 0.135 -10.906 1.00 0.00 N ATOM 669 CA GLU A 45 -1.665 0.038 -12.219 1.00 0.00 C ATOM 670 C GLU A 45 -3.046 0.697 -12.208 1.00 0.00 C ATOM 671 O GLU A 45 -3.460 1.296 -13.198 1.00 0.00 O ATOM 672 CB GLU A 45 -1.755 -1.419 -12.676 1.00 0.00 C ATOM 673 CG GLU A 45 -2.627 -2.239 -11.722 1.00 0.00 C ATOM 674 CD GLU A 45 -2.922 -3.624 -12.303 1.00 0.00 C ATOM 675 OE1 GLU A 45 -1.938 -4.337 -12.595 1.00 0.00 O ATOM 676 OE2 GLU A 45 -4.124 -3.937 -12.440 1.00 0.00 O ATOM 0 H GLU A 45 -0.633 -0.731 -10.565 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.037 0.570 -12.934 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.170 -1.463 -13.683 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.756 -1.851 -12.724 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.123 -2.343 -10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.563 -1.712 -11.535 1.00 0.00 H new ATOM 683 N GLU A 46 -3.721 0.562 -11.075 1.00 0.00 N ATOM 684 CA GLU A 46 -5.047 1.136 -10.922 1.00 0.00 C ATOM 685 C GLU A 46 -4.960 2.663 -10.863 1.00 0.00 C ATOM 686 O GLU A 46 -5.820 3.358 -11.402 1.00 0.00 O ATOM 687 CB GLU A 46 -5.745 0.578 -9.680 1.00 0.00 C ATOM 688 CG GLU A 46 -6.923 -0.318 -10.070 1.00 0.00 C ATOM 689 CD GLU A 46 -8.229 0.478 -10.105 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.178 1.670 -9.732 1.00 0.00 O ATOM 691 OE2 GLU A 46 -9.250 -0.124 -10.503 1.00 0.00 O ATOM 0 H GLU A 46 -3.374 0.064 -10.255 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.645 0.859 -11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.033 0.009 -9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.099 1.400 -9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.738 -0.763 -11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.012 -1.138 -9.358 1.00 0.00 H new ATOM 698 N PHE A 47 -3.915 3.140 -10.203 1.00 0.00 N ATOM 699 CA PHE A 47 -3.706 4.571 -10.066 1.00 0.00 C ATOM 700 C PHE A 47 -2.851 5.112 -11.214 1.00 0.00 C ATOM 701 O PHE A 47 -2.229 6.165 -11.087 1.00 0.00 O ATOM 702 CB PHE A 47 -2.963 4.791 -8.747 1.00 0.00 C ATOM 703 CG PHE A 47 -3.883 5.034 -7.548 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.920 5.908 -7.653 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.664 4.376 -6.378 1.00 0.00 C ATOM 706 CE1 PHE A 47 -5.773 6.134 -6.541 1.00 0.00 C ATOM 707 CE2 PHE A 47 -4.518 4.601 -5.266 1.00 0.00 C ATOM 708 CZ PHE A 47 -5.554 5.476 -5.371 1.00 0.00 C ATOM 0 H PHE A 47 -3.204 2.561 -9.757 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.664 5.090 -10.085 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.340 3.920 -8.543 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.293 5.644 -8.857 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.094 6.430 -8.582 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.840 3.682 -6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.596 6.828 -6.624 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.345 4.078 -4.337 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.203 5.648 -4.525 1.00 0.00 H new ATOM 718 N LYS A 48 -2.849 4.367 -12.310 1.00 0.00 N ATOM 719 CA LYS A 48 -2.082 4.759 -13.480 1.00 0.00 C ATOM 720 C LYS A 48 -0.729 5.317 -13.034 1.00 0.00 C ATOM 721 O LYS A 48 -0.376 6.445 -13.374 1.00 0.00 O ATOM 722 CB LYS A 48 -2.888 5.724 -14.351 1.00 0.00 C ATOM 723 CG LYS A 48 -3.581 4.981 -15.496 1.00 0.00 C ATOM 724 CD LYS A 48 -4.899 4.360 -15.028 1.00 0.00 C ATOM 725 CE LYS A 48 -6.061 5.339 -15.211 1.00 0.00 C ATOM 726 NZ LYS A 48 -7.039 4.805 -16.184 1.00 0.00 N ATOM 0 H LYS A 48 -3.366 3.494 -12.412 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.878 3.893 -14.109 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.633 6.235 -13.741 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.228 6.491 -14.757 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.771 5.670 -16.319 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.923 4.201 -15.879 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.095 3.447 -15.591 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.819 4.076 -13.979 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.551 5.515 -14.253 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.683 6.301 -15.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.821 5.481 -16.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.572 4.660 -17.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.413 3.898 -15.838 1.00 0.00 H new ATOM 740 N VAL A 49 -0.008 4.501 -12.278 1.00 0.00 N ATOM 741 CA VAL A 49 1.298 4.899 -11.782 1.00 0.00 C ATOM 742 C VAL A 49 2.307 3.784 -12.063 1.00 0.00 C ATOM 743 O VAL A 49 1.924 2.637 -12.288 1.00 0.00 O ATOM 744 CB VAL A 49 1.206 5.262 -10.298 1.00 0.00 C ATOM 745 CG1 VAL A 49 0.651 6.675 -10.113 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.363 4.238 -9.535 1.00 0.00 C ATOM 0 H VAL A 49 -0.304 3.566 -11.997 1.00 0.00 H new ATOM 0 HA VAL A 49 1.647 5.792 -12.300 1.00 0.00 H new ATOM 0 HB VAL A 49 2.214 5.241 -9.885 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.596 6.908 -9.050 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.307 7.391 -10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.346 6.734 -10.550 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.313 4.519 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.644 4.213 -9.952 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.818 3.252 -9.626 1.00 0.00 H new ATOM 756 N PRO A 50 3.611 4.170 -12.041 1.00 0.00 N ATOM 757 CA PRO A 50 4.678 3.217 -12.291 1.00 0.00 C ATOM 758 C PRO A 50 4.892 2.303 -11.082 1.00 0.00 C ATOM 759 O PRO A 50 5.217 2.775 -9.993 1.00 0.00 O ATOM 760 CB PRO A 50 5.896 4.066 -12.616 1.00 0.00 C ATOM 761 CG PRO A 50 5.589 5.456 -12.085 1.00 0.00 C ATOM 762 CD PRO A 50 4.102 5.520 -11.778 1.00 0.00 C ATOM 0 HA PRO A 50 4.451 2.538 -13.113 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.792 3.658 -12.148 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.080 4.090 -13.690 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.173 5.659 -11.187 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.860 6.214 -12.820 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.923 5.812 -10.743 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.599 6.254 -12.407 1.00 0.00 H new ATOM 770 N ALA A 51 4.701 1.013 -11.314 1.00 0.00 N ATOM 771 CA ALA A 51 4.868 0.030 -10.257 1.00 0.00 C ATOM 772 C ALA A 51 6.339 -0.387 -10.183 1.00 0.00 C ATOM 773 O ALA A 51 6.656 -1.573 -10.262 1.00 0.00 O ATOM 774 CB ALA A 51 3.938 -1.158 -10.512 1.00 0.00 C ATOM 0 H ALA A 51 4.432 0.625 -12.218 1.00 0.00 H new ATOM 0 HA ALA A 51 4.596 0.455 -9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.064 -1.895 -9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.904 -0.814 -10.527 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.183 -1.612 -11.472 1.00 0.00 H new ATOM 780 N ALA A 52 7.197 0.611 -10.032 1.00 0.00 N ATOM 781 CA ALA A 52 8.626 0.363 -9.946 1.00 0.00 C ATOM 782 C ALA A 52 9.221 1.219 -8.827 1.00 0.00 C ATOM 783 O ALA A 52 9.875 0.700 -7.924 1.00 0.00 O ATOM 784 CB ALA A 52 9.275 0.643 -11.303 1.00 0.00 C ATOM 0 H ALA A 52 6.930 1.593 -9.967 1.00 0.00 H new ATOM 0 HA ALA A 52 8.821 -0.681 -9.701 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.347 0.457 -11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.838 -0.011 -12.057 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.103 1.683 -11.581 1.00 0.00 H new ATOM 790 N THR A 53 8.975 2.518 -8.924 1.00 0.00 N ATOM 791 CA THR A 53 9.479 3.451 -7.931 1.00 0.00 C ATOM 792 C THR A 53 8.380 3.807 -6.927 1.00 0.00 C ATOM 793 O THR A 53 8.066 4.981 -6.735 1.00 0.00 O ATOM 794 CB THR A 53 10.045 4.666 -8.668 1.00 0.00 C ATOM 795 OG1 THR A 53 10.167 5.661 -7.656 1.00 0.00 O ATOM 796 CG2 THR A 53 9.046 5.266 -9.661 1.00 0.00 C ATOM 0 H THR A 53 8.433 2.946 -9.675 1.00 0.00 H new ATOM 0 HA THR A 53 10.282 3.007 -7.343 1.00 0.00 H new ATOM 0 HB THR A 53 10.954 4.379 -9.196 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.276 5.909 -7.332 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.497 6.125 -10.157 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.778 4.516 -10.406 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.150 5.584 -9.128 1.00 0.00 H new ATOM 804 N SER A 54 7.825 2.772 -6.314 1.00 0.00 N ATOM 805 CA SER A 54 6.768 2.961 -5.335 1.00 0.00 C ATOM 806 C SER A 54 6.966 2.002 -4.160 1.00 0.00 C ATOM 807 O SER A 54 7.585 0.950 -4.310 1.00 0.00 O ATOM 808 CB SER A 54 5.390 2.750 -5.966 1.00 0.00 C ATOM 809 OG SER A 54 5.401 2.997 -7.369 1.00 0.00 O ATOM 0 H SER A 54 8.087 1.800 -6.476 1.00 0.00 H new ATOM 0 HA SER A 54 6.818 3.987 -4.971 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.059 1.728 -5.781 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.667 3.411 -5.487 1.00 0.00 H new ATOM 0 HG SER A 54 5.122 2.187 -7.846 1.00 0.00 H new ATOM 815 N ALA A 55 6.429 2.400 -3.016 1.00 0.00 N ATOM 816 CA ALA A 55 6.539 1.589 -1.815 1.00 0.00 C ATOM 817 C ALA A 55 5.497 2.052 -0.795 1.00 0.00 C ATOM 818 O ALA A 55 5.269 3.250 -0.635 1.00 0.00 O ATOM 819 CB ALA A 55 7.966 1.674 -1.270 1.00 0.00 C ATOM 0 H ALA A 55 5.916 3.274 -2.895 1.00 0.00 H new ATOM 0 HA ALA A 55 6.338 0.542 -2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.048 1.066 -0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.665 1.306 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.203 2.711 -1.031 1.00 0.00 H new ATOM 825 N ILE A 56 4.892 1.078 -0.131 1.00 0.00 N ATOM 826 CA ILE A 56 3.879 1.371 0.869 1.00 0.00 C ATOM 827 C ILE A 56 4.531 1.408 2.253 1.00 0.00 C ATOM 828 O ILE A 56 5.353 0.553 2.579 1.00 0.00 O ATOM 829 CB ILE A 56 2.719 0.379 0.763 1.00 0.00 C ATOM 830 CG1 ILE A 56 2.045 0.468 -0.608 1.00 0.00 C ATOM 831 CG2 ILE A 56 1.721 0.578 1.906 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.490 -0.892 -1.035 1.00 0.00 C ATOM 0 H ILE A 56 5.084 0.085 -0.266 1.00 0.00 H new ATOM 0 HA ILE A 56 3.444 2.355 0.694 1.00 0.00 H new ATOM 0 HB ILE A 56 3.122 -0.629 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.238 1.200 -0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.763 0.820 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.906 -0.140 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.225 0.425 2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.319 1.591 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.016 -0.801 -2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.303 -1.615 -1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.754 -1.230 -0.305 1.00 0.00 H new ATOM 844 N ILE A 57 4.141 2.409 3.029 1.00 0.00 N ATOM 845 CA ILE A 57 4.677 2.569 4.370 1.00 0.00 C ATOM 846 C ILE A 57 3.524 2.778 5.354 1.00 0.00 C ATOM 847 O ILE A 57 2.411 3.110 4.950 1.00 0.00 O ATOM 848 CB ILE A 57 5.721 3.687 4.399 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.070 5.051 4.161 1.00 0.00 C ATOM 850 CG2 ILE A 57 6.850 3.410 3.405 1.00 0.00 C ATOM 851 CD1 ILE A 57 5.758 6.139 4.988 1.00 0.00 C ATOM 0 H ILE A 57 3.460 3.117 2.754 1.00 0.00 H new ATOM 0 HA ILE A 57 5.202 1.666 4.681 1.00 0.00 H new ATOM 0 HB ILE A 57 6.167 3.712 5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.125 5.304 3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.013 5.004 4.423 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.578 4.220 3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.338 2.470 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.439 3.342 2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.276 7.098 4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.680 5.895 6.047 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.809 6.200 4.706 1.00 0.00 H new ATOM 863 N THR A 58 3.831 2.574 6.627 1.00 0.00 N ATOM 864 CA THR A 58 2.834 2.735 7.672 1.00 0.00 C ATOM 865 C THR A 58 2.877 4.158 8.233 1.00 0.00 C ATOM 866 O THR A 58 3.893 4.842 8.126 1.00 0.00 O ATOM 867 CB THR A 58 3.079 1.657 8.729 1.00 0.00 C ATOM 868 OG1 THR A 58 4.251 2.097 9.409 1.00 0.00 O ATOM 869 CG2 THR A 58 3.486 0.316 8.114 1.00 0.00 C ATOM 0 H THR A 58 4.756 2.299 6.958 1.00 0.00 H new ATOM 0 HA THR A 58 1.825 2.603 7.281 1.00 0.00 H new ATOM 0 HB THR A 58 2.177 1.524 9.327 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.481 1.456 10.114 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.648 -0.414 8.907 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.694 -0.036 7.453 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.406 0.442 7.543 1.00 0.00 H new ATOM 877 N ASN A 59 1.759 4.561 8.821 1.00 0.00 N ATOM 878 CA ASN A 59 1.656 5.890 9.400 1.00 0.00 C ATOM 879 C ASN A 59 2.613 5.999 10.589 1.00 0.00 C ATOM 880 O ASN A 59 2.212 5.796 11.734 1.00 0.00 O ATOM 881 CB ASN A 59 0.239 6.161 9.907 1.00 0.00 C ATOM 882 CG ASN A 59 -0.521 7.079 8.949 1.00 0.00 C ATOM 883 OD1 ASN A 59 0.016 8.028 8.401 1.00 0.00 O ATOM 884 ND2 ASN A 59 -1.797 6.746 8.777 1.00 0.00 N ATOM 0 H ASN A 59 0.918 3.991 8.909 1.00 0.00 H new ATOM 0 HA ASN A 59 1.907 6.616 8.626 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.298 5.219 10.016 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.284 6.618 10.895 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.389 7.298 8.156 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.184 5.939 9.266 1.00 0.00 H new ATOM 891 N ASP A 60 3.860 6.320 10.276 1.00 0.00 N ATOM 892 CA ASP A 60 4.877 6.459 11.304 1.00 0.00 C ATOM 893 C ASP A 60 6.231 6.727 10.644 1.00 0.00 C ATOM 894 O ASP A 60 7.058 7.456 11.189 1.00 0.00 O ATOM 895 CB ASP A 60 5.001 5.178 12.133 1.00 0.00 C ATOM 896 CG ASP A 60 6.013 5.245 13.278 1.00 0.00 C ATOM 897 OD1 ASP A 60 6.074 6.315 13.920 1.00 0.00 O ATOM 898 OD2 ASP A 60 6.704 4.223 13.485 1.00 0.00 O ATOM 0 H ASP A 60 4.189 6.488 9.325 1.00 0.00 H new ATOM 0 HA ASP A 60 4.587 7.284 11.955 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.022 4.935 12.547 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.279 4.359 11.470 1.00 0.00 H new ATOM 903 N GLY A 61 6.415 6.123 9.479 1.00 0.00 N ATOM 904 CA GLY A 61 7.654 6.288 8.738 1.00 0.00 C ATOM 905 C GLY A 61 8.453 4.983 8.709 1.00 0.00 C ATOM 906 O GLY A 61 9.639 4.970 9.033 1.00 0.00 O ATOM 0 H GLY A 61 5.727 5.519 9.030 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.433 6.606 7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.253 7.076 9.195 1.00 0.00 H new ATOM 910 N ILE A 62 7.770 3.917 8.317 1.00 0.00 N ATOM 911 CA ILE A 62 8.402 2.610 8.242 1.00 0.00 C ATOM 912 C ILE A 62 7.901 1.879 6.995 1.00 0.00 C ATOM 913 O ILE A 62 6.723 1.962 6.653 1.00 0.00 O ATOM 914 CB ILE A 62 8.181 1.833 9.541 1.00 0.00 C ATOM 915 CG1 ILE A 62 8.813 2.560 10.729 1.00 0.00 C ATOM 916 CG2 ILE A 62 8.689 0.395 9.412 1.00 0.00 C ATOM 917 CD1 ILE A 62 10.340 2.472 10.677 1.00 0.00 C ATOM 0 H ILE A 62 6.786 3.931 8.048 1.00 0.00 H new ATOM 0 HA ILE A 62 9.482 2.713 8.140 1.00 0.00 H new ATOM 0 HB ILE A 62 7.109 1.780 9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.505 3.606 10.726 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.452 2.124 11.661 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.520 -0.136 10.349 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.154 -0.109 8.608 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.756 0.405 9.188 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.764 2.997 11.533 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.645 1.426 10.705 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.700 2.930 9.756 1.00 0.00 H new ATOM 929 N GLY A 63 8.822 1.178 6.349 1.00 0.00 N ATOM 930 CA GLY A 63 8.489 0.432 5.148 1.00 0.00 C ATOM 931 C GLY A 63 7.780 -0.878 5.495 1.00 0.00 C ATOM 932 O GLY A 63 7.529 -1.161 6.665 1.00 0.00 O ATOM 0 H GLY A 63 9.799 1.111 6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.849 1.037 4.506 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.397 0.220 4.584 1.00 0.00 H new ATOM 936 N ILE A 64 7.476 -1.642 4.456 1.00 0.00 N ATOM 937 CA ILE A 64 6.800 -2.916 4.636 1.00 0.00 C ATOM 938 C ILE A 64 7.595 -4.015 3.928 1.00 0.00 C ATOM 939 O ILE A 64 8.141 -3.794 2.848 1.00 0.00 O ATOM 940 CB ILE A 64 5.344 -2.819 4.178 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.626 -1.660 4.873 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.615 -4.149 4.382 1.00 0.00 C ATOM 943 CD1 ILE A 64 3.522 -1.086 3.984 1.00 0.00 C ATOM 0 H ILE A 64 7.685 -1.403 3.487 1.00 0.00 H new ATOM 0 HA ILE A 64 6.761 -3.180 5.693 1.00 0.00 H new ATOM 0 HB ILE A 64 5.336 -2.608 3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.197 -2.005 5.814 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.344 -0.877 5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.582 -4.053 4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.112 -4.928 3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.632 -4.415 5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.028 -0.264 4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.957 -0.720 3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.793 -1.865 3.761 1.00 0.00 H new ATOM 955 N ASN A 65 7.635 -5.176 4.565 1.00 0.00 N ATOM 956 CA ASN A 65 8.354 -6.310 4.010 1.00 0.00 C ATOM 957 C ASN A 65 7.352 -7.380 3.573 1.00 0.00 C ATOM 958 O ASN A 65 6.829 -8.122 4.403 1.00 0.00 O ATOM 959 CB ASN A 65 9.287 -6.933 5.050 1.00 0.00 C ATOM 960 CG ASN A 65 10.608 -7.368 4.412 1.00 0.00 C ATOM 961 OD1 ASN A 65 10.646 -8.138 3.467 1.00 0.00 O ATOM 962 ND2 ASN A 65 11.685 -6.833 4.979 1.00 0.00 N ATOM 0 H ASN A 65 7.181 -5.356 5.460 1.00 0.00 H new ATOM 0 HA ASN A 65 8.942 -5.954 3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.483 -6.214 5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.801 -7.793 5.511 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.614 -7.061 4.625 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.582 -6.195 5.768 1.00 0.00 H new ATOM 969 N PRO A 66 7.107 -7.426 2.236 1.00 0.00 N ATOM 970 CA PRO A 66 6.177 -8.393 1.678 1.00 0.00 C ATOM 971 C PRO A 66 6.792 -9.793 1.650 1.00 0.00 C ATOM 972 O PRO A 66 6.791 -10.455 0.613 1.00 0.00 O ATOM 973 CB PRO A 66 5.842 -7.863 0.294 1.00 0.00 C ATOM 974 CG PRO A 66 6.944 -6.877 -0.053 1.00 0.00 C ATOM 975 CD PRO A 66 7.708 -6.563 1.223 1.00 0.00 C ATOM 0 HA PRO A 66 5.273 -8.502 2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.799 -8.673 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.867 -7.377 0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.612 -7.300 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.522 -5.967 -0.479 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.772 -6.769 1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.614 -5.511 1.492 1.00 0.00 H new ATOM 983 N ALA A 67 7.304 -10.204 2.801 1.00 0.00 N ATOM 984 CA ALA A 67 7.921 -11.514 2.921 1.00 0.00 C ATOM 985 C ALA A 67 6.862 -12.536 3.340 1.00 0.00 C ATOM 986 O ALA A 67 7.072 -13.741 3.209 1.00 0.00 O ATOM 987 CB ALA A 67 9.085 -11.441 3.912 1.00 0.00 C ATOM 0 H ALA A 67 7.304 -9.653 3.659 1.00 0.00 H new ATOM 0 HA ALA A 67 8.328 -11.836 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.548 -12.424 4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.823 -10.723 3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.714 -11.124 4.887 1.00 0.00 H new ATOM 993 N GLN A 68 5.748 -12.017 3.835 1.00 0.00 N ATOM 994 CA GLN A 68 4.656 -12.869 4.274 1.00 0.00 C ATOM 995 C GLN A 68 3.403 -12.598 3.440 1.00 0.00 C ATOM 996 O GLN A 68 3.467 -11.908 2.424 1.00 0.00 O ATOM 997 CB GLN A 68 4.375 -12.676 5.765 1.00 0.00 C ATOM 998 CG GLN A 68 3.965 -11.232 6.063 1.00 0.00 C ATOM 999 CD GLN A 68 4.994 -10.544 6.963 1.00 0.00 C ATOM 1000 OE1 GLN A 68 5.106 -10.821 8.146 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.737 -9.635 6.338 1.00 0.00 N ATOM 0 H GLN A 68 5.578 -11.017 3.942 1.00 0.00 H new ATOM 0 HA GLN A 68 4.950 -13.908 4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.583 -13.355 6.080 1.00 0.00 H new ATOM 0 HB3 GLN A 68 5.263 -12.932 6.342 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.865 -10.678 5.129 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.988 -11.220 6.546 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.591 -9.452 5.345 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.453 -9.121 6.851 1.00 0.00 H new ATOM 1010 N THR A 69 2.293 -13.155 3.900 1.00 0.00 N ATOM 1011 CA THR A 69 1.026 -12.981 3.209 1.00 0.00 C ATOM 1012 C THR A 69 0.448 -11.594 3.496 1.00 0.00 C ATOM 1013 O THR A 69 0.617 -11.062 4.591 1.00 0.00 O ATOM 1014 CB THR A 69 0.099 -14.125 3.627 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.268 -13.803 4.965 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.836 -15.460 3.753 1.00 0.00 C ATOM 0 H THR A 69 2.244 -13.727 4.743 1.00 0.00 H new ATOM 0 HA THR A 69 1.155 -13.027 2.128 1.00 0.00 H new ATOM 0 HB THR A 69 -0.707 -14.223 2.900 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.871 -14.493 5.314 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.133 -16.237 4.052 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.280 -15.722 2.793 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.621 -15.373 4.504 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.224 -11.049 2.492 1.00 0.00 N ATOM 1025 CA ALA A 70 -0.828 -9.735 2.623 1.00 0.00 C ATOM 1026 C ALA A 70 -1.599 -9.661 3.942 1.00 0.00 C ATOM 1027 O ALA A 70 -1.461 -8.697 4.693 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.721 -9.460 1.411 1.00 0.00 C ATOM 0 H ALA A 70 -0.363 -11.494 1.585 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.060 -8.961 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.174 -8.474 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.121 -9.494 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.505 -10.216 1.357 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.394 -10.693 4.185 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.186 -10.758 5.401 1.00 0.00 C ATOM 1036 C GLY A 71 -2.297 -10.648 6.641 1.00 0.00 C ATOM 1037 O GLY A 71 -2.760 -10.244 7.707 1.00 0.00 O ATOM 0 H GLY A 71 -2.506 -11.491 3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.921 -9.953 5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.740 -11.696 5.429 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.037 -11.016 6.461 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.079 -10.965 7.553 1.00 0.00 C ATOM 1043 C ASN A 72 0.685 -9.641 7.493 1.00 0.00 C ATOM 1044 O ASN A 72 1.343 -9.256 8.457 1.00 0.00 O ATOM 1045 CB ASN A 72 0.938 -12.103 7.447 1.00 0.00 C ATOM 1046 CG ASN A 72 0.338 -13.422 7.939 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -0.783 -13.484 8.417 1.00 0.00 O ATOM 1048 ND2 ASN A 72 1.145 -14.469 7.796 1.00 0.00 N ATOM 0 H ASN A 72 -0.657 -11.351 5.576 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.629 -11.059 8.489 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.262 -12.211 6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.823 -11.860 8.035 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.837 -15.395 8.095 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.072 -14.347 7.388 1.00 0.00 H new ATOM 1055 N VAL A 73 0.571 -8.980 6.350 1.00 0.00 N ATOM 1056 CA VAL A 73 1.243 -7.707 6.151 1.00 0.00 C ATOM 1057 C VAL A 73 0.298 -6.570 6.542 1.00 0.00 C ATOM 1058 O VAL A 73 0.689 -5.654 7.264 1.00 0.00 O ATOM 1059 CB VAL A 73 1.744 -7.599 4.709 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.242 -6.185 4.406 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.834 -8.636 4.429 1.00 0.00 C ATOM 0 H VAL A 73 0.023 -9.302 5.552 1.00 0.00 H new ATOM 0 HA VAL A 73 2.121 -7.635 6.792 1.00 0.00 H new ATOM 0 HB VAL A 73 0.904 -7.807 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.592 -6.136 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.428 -5.474 4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.062 -5.936 5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.173 -8.538 3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.674 -8.472 5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.433 -9.637 4.586 1.00 0.00 H new ATOM 1071 N PHE A 74 -0.928 -6.666 6.048 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.932 -5.656 6.337 1.00 0.00 C ATOM 1073 C PHE A 74 -2.378 -5.729 7.799 1.00 0.00 C ATOM 1074 O PHE A 74 -3.031 -4.814 8.299 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.133 -5.949 5.435 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.279 -6.676 6.141 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.059 -7.882 6.730 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.518 -6.116 6.179 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.123 -8.556 7.385 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.582 -6.791 6.835 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.362 -7.997 7.424 1.00 0.00 C ATOM 0 H PHE A 74 -1.249 -7.427 5.450 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.522 -4.662 6.159 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.508 -5.009 5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.801 -6.551 4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.075 -8.327 6.699 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.693 -5.159 5.711 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.948 -9.514 7.853 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.566 -6.346 6.866 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.171 -8.510 7.922 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.008 -6.826 8.444 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.362 -7.030 9.838 1.00 0.00 C ATOM 1093 C LEU A 75 -1.247 -6.476 10.729 1.00 0.00 C ATOM 1094 O LEU A 75 -1.509 -5.696 11.643 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.683 -8.503 10.099 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.335 -8.818 11.447 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -4.852 -8.952 11.304 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.707 -10.060 12.082 1.00 0.00 C ATOM 0 H LEU A 75 -1.466 -7.583 8.026 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.271 -6.481 10.085 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.343 -8.856 9.307 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.758 -9.075 10.022 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.148 -7.982 12.121 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.291 -9.176 12.276 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.266 -8.017 10.926 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.082 -9.759 10.608 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.188 -10.262 13.039 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.842 -10.915 11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.642 -9.889 12.240 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.028 -6.901 10.430 1.00 0.00 N ATOM 1111 CA LYS A 76 1.126 -6.457 11.192 1.00 0.00 C ATOM 1112 C LYS A 76 1.357 -4.966 10.938 1.00 0.00 C ATOM 1113 O LYS A 76 1.586 -4.202 11.874 1.00 0.00 O ATOM 1114 CB LYS A 76 2.343 -7.330 10.878 1.00 0.00 C ATOM 1115 CG LYS A 76 2.987 -6.918 9.553 1.00 0.00 C ATOM 1116 CD LYS A 76 4.271 -7.709 9.298 1.00 0.00 C ATOM 1117 CE LYS A 76 5.492 -6.963 9.839 1.00 0.00 C ATOM 1118 NZ LYS A 76 6.740 -7.558 9.310 1.00 0.00 N ATOM 0 H LYS A 76 0.185 -7.548 9.671 1.00 0.00 H new ATOM 0 HA LYS A 76 0.945 -6.574 12.260 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.073 -7.245 11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.042 -8.376 10.830 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.285 -7.084 8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.210 -5.851 9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.199 -8.688 9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.390 -7.881 8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.436 -5.911 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.497 -7.003 10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.559 -7.040 9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.799 -8.555 9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.740 -7.498 8.272 1.00 0.00 H new ATOM 1132 N HIS A 77 1.290 -4.598 9.667 1.00 0.00 N ATOM 1133 CA HIS A 77 1.489 -3.212 9.278 1.00 0.00 C ATOM 1134 C HIS A 77 0.181 -2.437 9.452 1.00 0.00 C ATOM 1135 O HIS A 77 0.176 -1.337 10.002 1.00 0.00 O ATOM 1136 CB HIS A 77 2.047 -3.122 7.857 1.00 0.00 C ATOM 1137 CG HIS A 77 3.372 -3.822 7.671 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.588 -3.189 7.859 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.658 -5.107 7.313 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.555 -4.062 7.622 1.00 0.00 C ATOM 1141 NE2 HIS A 77 4.977 -5.251 7.283 1.00 0.00 N ATOM 0 H HIS A 77 1.101 -5.235 8.893 1.00 0.00 H new ATOM 0 HA HIS A 77 2.233 -2.751 9.928 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.322 -3.550 7.165 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.162 -2.072 7.589 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.934 -5.877 7.091 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.615 -3.867 7.686 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.476 -6.108 7.046 1.00 0.00 H new ATOM 1149 N GLY A 78 -0.896 -3.043 8.974 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.207 -2.423 9.070 1.00 0.00 C ATOM 1151 C GLY A 78 -2.840 -2.263 7.687 1.00 0.00 C ATOM 1152 O GLY A 78 -2.211 -2.564 6.673 1.00 0.00 O ATOM 0 H GLY A 78 -0.888 -3.956 8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.855 -3.030 9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.118 -1.448 9.548 1.00 0.00 H new ATOM 1156 N SER A 79 -4.078 -1.791 7.689 1.00 0.00 N ATOM 1157 CA SER A 79 -4.804 -1.588 6.446 1.00 0.00 C ATOM 1158 C SER A 79 -4.607 -0.152 5.954 1.00 0.00 C ATOM 1159 O SER A 79 -4.371 0.075 4.769 1.00 0.00 O ATOM 1160 CB SER A 79 -6.293 -1.889 6.623 1.00 0.00 C ATOM 1161 OG SER A 79 -6.967 -0.852 7.330 1.00 0.00 O ATOM 0 H SER A 79 -4.597 -1.543 8.531 1.00 0.00 H new ATOM 0 HA SER A 79 -4.408 -2.278 5.701 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.755 -2.020 5.645 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.411 -2.830 7.160 1.00 0.00 H new ATOM 0 HG SER A 79 -7.916 -1.081 7.421 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.711 0.780 6.890 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.547 2.187 6.567 1.00 0.00 C ATOM 1169 C GLU A 80 -3.066 2.520 6.382 1.00 0.00 C ATOM 1170 O GLU A 80 -2.312 2.575 7.352 1.00 0.00 O ATOM 1171 CB GLU A 80 -5.179 3.073 7.642 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.700 2.916 7.659 1.00 0.00 C ATOM 1173 CD GLU A 80 -7.392 4.279 7.724 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -6.999 5.073 8.606 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -8.298 4.496 6.891 1.00 0.00 O ATOM 0 H GLU A 80 -4.907 0.588 7.872 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.064 2.387 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.772 2.812 8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.920 4.115 7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.024 2.382 6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.997 2.312 8.516 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.692 2.734 5.129 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.314 3.060 4.804 1.00 0.00 C ATOM 1184 C LEU A 81 -1.292 4.090 3.673 1.00 0.00 C ATOM 1185 O LEU A 81 -2.342 4.508 3.188 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.521 1.789 4.494 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.940 0.533 5.261 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.593 -0.732 4.473 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -0.332 0.519 6.665 1.00 0.00 C ATOM 0 H LEU A 81 -3.320 2.688 4.326 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.818 3.516 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.605 1.584 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.532 1.982 4.700 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.023 0.551 5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.901 -1.610 5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.113 -0.718 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.483 -0.770 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.646 -0.384 7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.755 0.536 6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.672 1.395 7.217 1.00 0.00 H new ATOM 1201 N ARG A 82 -0.083 4.470 3.285 1.00 0.00 N ATOM 1202 CA ARG A 82 0.090 5.443 2.220 1.00 0.00 C ATOM 1203 C ARG A 82 1.115 4.939 1.202 1.00 0.00 C ATOM 1204 O ARG A 82 2.082 4.273 1.567 1.00 0.00 O ATOM 1205 CB ARG A 82 0.554 6.791 2.776 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.621 7.577 3.362 1.00 0.00 C ATOM 1207 CD ARG A 82 -0.156 8.497 4.493 1.00 0.00 C ATOM 1208 NE ARG A 82 -1.327 9.029 5.226 1.00 0.00 N ATOM 1209 CZ ARG A 82 -2.066 10.065 4.808 1.00 0.00 C ATOM 1210 NH1 ARG A 82 -1.762 10.687 3.661 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -3.111 10.480 5.538 1.00 0.00 N ATOM 0 H ARG A 82 0.786 4.121 3.689 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.876 5.577 1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.309 6.630 3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.026 7.372 1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.094 8.169 2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.375 6.885 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.492 7.948 5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.433 9.319 4.086 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.587 8.579 6.104 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.967 10.372 3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.326 11.476 3.344 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.343 10.007 6.411 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.674 11.269 5.220 1.00 0.00 H new ATOM 1225 N ILE A 83 0.868 5.277 -0.055 1.00 0.00 N ATOM 1226 CA ILE A 83 1.757 4.867 -1.129 1.00 0.00 C ATOM 1227 C ILE A 83 2.721 6.010 -1.451 1.00 0.00 C ATOM 1228 O ILE A 83 2.296 7.087 -1.865 1.00 0.00 O ATOM 1229 CB ILE A 83 0.951 4.382 -2.336 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.746 3.359 -3.150 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.487 5.561 -3.194 1.00 0.00 C ATOM 1232 CD1 ILE A 83 0.834 2.603 -4.119 1.00 0.00 C ATOM 0 H ILE A 83 0.065 5.830 -0.354 1.00 0.00 H new ATOM 0 HA ILE A 83 2.364 4.016 -0.818 1.00 0.00 H new ATOM 0 HB ILE A 83 0.057 3.878 -1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.535 3.865 -3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.233 2.653 -2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.083 5.189 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.142 6.221 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.355 6.114 -3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.423 1.882 -4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.061 2.078 -3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.367 3.309 -4.805 1.00 0.00 H new ATOM 1244 N ILE A 84 4.002 5.736 -1.250 1.00 0.00 N ATOM 1245 CA ILE A 84 5.030 6.728 -1.514 1.00 0.00 C ATOM 1246 C ILE A 84 6.027 6.165 -2.528 1.00 0.00 C ATOM 1247 O ILE A 84 6.141 4.950 -2.684 1.00 0.00 O ATOM 1248 CB ILE A 84 5.676 7.191 -0.207 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.689 6.161 0.298 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.614 7.515 0.846 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.081 6.782 0.432 1.00 0.00 C ATOM 0 H ILE A 84 4.351 4.841 -0.907 1.00 0.00 H new ATOM 0 HA ILE A 84 4.592 7.621 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 84 6.224 8.112 -0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.366 5.771 1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.728 5.316 -0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.101 7.842 1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.966 8.310 0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.018 6.625 1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.782 6.029 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.411 7.149 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.043 7.611 1.139 1.00 0.00 H new ATOM 1263 N PRO A 85 6.744 7.099 -3.209 1.00 0.00 N ATOM 1264 CA PRO A 85 7.728 6.709 -4.204 1.00 0.00 C ATOM 1265 C PRO A 85 8.997 6.171 -3.539 1.00 0.00 C ATOM 1266 O PRO A 85 9.330 6.564 -2.422 1.00 0.00 O ATOM 1267 CB PRO A 85 7.975 7.962 -5.027 1.00 0.00 C ATOM 1268 CG PRO A 85 7.475 9.122 -4.180 1.00 0.00 C ATOM 1269 CD PRO A 85 6.636 8.547 -3.051 1.00 0.00 C ATOM 0 HA PRO A 85 7.382 5.894 -4.839 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.034 8.075 -5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.444 7.916 -5.978 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.314 9.692 -3.780 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.882 9.808 -4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.008 8.868 -2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.599 8.877 -3.120 1.00 0.00 H new ATOM 1277 N ARG A 86 9.669 5.281 -4.253 1.00 0.00 N ATOM 1278 CA ARG A 86 10.894 4.685 -3.745 1.00 0.00 C ATOM 1279 C ARG A 86 11.793 5.761 -3.133 1.00 0.00 C ATOM 1280 O ARG A 86 11.956 5.819 -1.915 1.00 0.00 O ATOM 1281 CB ARG A 86 11.658 3.965 -4.858 1.00 0.00 C ATOM 1282 CG ARG A 86 12.245 2.645 -4.353 1.00 0.00 C ATOM 1283 CD ARG A 86 13.603 2.869 -3.685 1.00 0.00 C ATOM 1284 NE ARG A 86 14.436 1.652 -3.812 1.00 0.00 N ATOM 1285 CZ ARG A 86 14.297 0.563 -3.044 1.00 0.00 C ATOM 1286 NH1 ARG A 86 13.356 0.531 -2.090 1.00 0.00 N ATOM 1287 NH2 ARG A 86 15.098 -0.495 -3.231 1.00 0.00 N ATOM 0 H ARG A 86 9.389 4.958 -5.179 1.00 0.00 H new ATOM 0 HA ARG A 86 10.618 3.959 -2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 86 10.990 3.773 -5.697 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.459 4.606 -5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.558 2.185 -3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.355 1.950 -5.185 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.110 3.716 -4.147 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.464 3.116 -2.633 1.00 0.00 H new ATOM 0 HE ARG A 86 15.161 1.642 -4.529 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.746 1.336 -1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.250 -0.298 -1.505 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.813 -0.471 -3.958 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.992 -1.324 -2.646 1.00 0.00 H new