USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 837 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 57 MET CE :methyl -147:sc= -1.31 (180deg=-0.963) USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.0494 X(o=-1.4,f=-0.96) USER MOD Single : A 12 GLN : amide:sc= -1.2! K(o=-1.2!,f=0) USER MOD Single : A 16 THR OG1 : rot 70:sc= 1.2 USER MOD Single : A 20 GLN : amide:sc= -0.331 K(o=-0.33,f=-0.84) USER MOD Single : A 25 SER OG : rot 128:sc= 0.934 USER MOD Single : A 26 THR OG1 : rot -33:sc= 1 USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.13) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.13) USER MOD Single : A 71 GLN : amide:sc= -2.56! K(o=-2.6!,f=-1.4) USER MOD Single : A 79 GLN : amide:sc= -0.804 K(o=-0.8,f=-0.021) USER MOD Single : A 80 SER OG : rot -85:sc= 1.76 USER MOD Single : A 88 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.18) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -2.01! USER MOD Single : A 102 LYS NZ :NH3+ 154:sc= 1.15 (180deg=0.72) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -158:sc= -0.265 (180deg=-0.919) USER MOD Single : A 122 SER OG : rot 86:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 16.150 2.041 5.976 1.00 0.00 N ATOM 126 CA LEU A 10 14.734 1.733 6.144 1.00 0.00 C ATOM 127 C LEU A 10 14.229 0.879 4.985 1.00 0.00 C ATOM 128 O LEU A 10 13.489 -0.086 5.183 1.00 0.00 O ATOM 129 CB LEU A 10 13.921 3.028 6.218 1.00 0.00 C ATOM 130 CG LEU A 10 14.265 3.940 7.393 1.00 0.00 C ATOM 131 CD1 LEU A 10 13.551 5.273 7.256 1.00 0.00 C ATOM 132 CD2 LEU A 10 13.899 3.272 8.708 1.00 0.00 C ATOM 0 HA LEU A 10 14.612 1.175 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.066 3.584 5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.863 2.772 6.274 1.00 0.00 H new ATOM 0 HG LEU A 10 15.340 4.123 7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 10 13.807 5.911 8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.859 5.757 6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 10 12.474 5.109 7.239 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.151 3.935 9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.830 3.062 8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.454 2.339 8.809 1.00 0.00 H new ATOM 144 N TRP A 11 14.653 1.234 3.779 1.00 0.00 N ATOM 145 CA TRP A 11 14.215 0.548 2.572 1.00 0.00 C ATOM 146 C TRP A 11 14.834 -0.849 2.507 1.00 0.00 C ATOM 147 O TRP A 11 14.223 -1.791 2.010 1.00 0.00 O ATOM 148 CB TRP A 11 14.606 1.370 1.338 1.00 0.00 C ATOM 149 CG TRP A 11 13.772 1.091 0.126 1.00 0.00 C ATOM 150 CD1 TRP A 11 14.076 0.256 -0.908 1.00 0.00 C ATOM 151 CD2 TRP A 11 12.496 1.665 -0.184 1.00 0.00 C ATOM 152 NE1 TRP A 11 13.064 0.266 -1.836 1.00 0.00 N ATOM 153 CE2 TRP A 11 12.082 1.122 -1.413 1.00 0.00 C ATOM 154 CE3 TRP A 11 11.660 2.579 0.465 1.00 0.00 C ATOM 155 CZ2 TRP A 11 10.872 1.467 -2.010 1.00 0.00 C ATOM 156 CZ3 TRP A 11 10.459 2.920 -0.128 1.00 0.00 C ATOM 157 CH2 TRP A 11 10.073 2.363 -1.353 1.00 0.00 C ATOM 0 H TRP A 11 15.305 2.000 3.611 1.00 0.00 H new ATOM 0 HA TRP A 11 13.130 0.442 2.592 1.00 0.00 H new ATOM 0 HB2 TRP A 11 14.530 2.430 1.582 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.651 1.172 1.100 1.00 0.00 H new ATOM 0 HD1 TRP A 11 14.981 -0.328 -0.986 1.00 0.00 H new ATOM 0 HE1 TRP A 11 13.046 -0.276 -2.700 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.948 3.011 1.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.575 1.043 -2.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.807 3.628 0.362 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.126 2.646 -1.788 1.00 0.00 H new ATOM 168 N GLN A 12 16.049 -0.970 3.032 1.00 0.00 N ATOM 169 CA GLN A 12 16.749 -2.249 3.108 1.00 0.00 C ATOM 170 C GLN A 12 15.952 -3.255 3.939 1.00 0.00 C ATOM 171 O GLN A 12 15.885 -4.442 3.609 1.00 0.00 O ATOM 172 CB GLN A 12 18.137 -2.036 3.715 1.00 0.00 C ATOM 173 CG GLN A 12 18.918 -3.318 3.948 1.00 0.00 C ATOM 174 CD GLN A 12 20.316 -3.062 4.475 1.00 0.00 C ATOM 175 OE1 GLN A 12 20.862 -3.863 5.233 1.00 0.00 O ATOM 176 NE2 GLN A 12 20.916 -1.951 4.068 1.00 0.00 N ATOM 0 H GLN A 12 16.576 -0.186 3.416 1.00 0.00 H new ATOM 0 HA GLN A 12 16.855 -2.654 2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.714 -1.387 3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.029 -1.512 4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.376 -3.945 4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.983 -3.875 3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 12 20.431 -1.311 3.439 1.00 0.00 H new ATOM 0 HE22 GLN A 12 21.862 -1.737 4.384 1.00 0.00 H new ATOM 185 N ARG A 13 15.334 -2.766 5.009 1.00 0.00 N ATOM 186 CA ARG A 13 14.509 -3.607 5.869 1.00 0.00 C ATOM 187 C ARG A 13 13.288 -4.117 5.111 1.00 0.00 C ATOM 188 O ARG A 13 12.781 -5.204 5.391 1.00 0.00 O ATOM 189 CB ARG A 13 14.075 -2.831 7.114 1.00 0.00 C ATOM 190 CG ARG A 13 15.227 -2.489 8.045 1.00 0.00 C ATOM 191 CD ARG A 13 15.802 -3.732 8.707 1.00 0.00 C ATOM 192 NE ARG A 13 14.844 -4.356 9.616 1.00 0.00 N ATOM 193 CZ ARG A 13 15.100 -5.438 10.347 1.00 0.00 C ATOM 194 NH1 ARG A 13 16.259 -6.077 10.220 1.00 0.00 N ATOM 195 NH2 ARG A 13 14.182 -5.892 11.192 1.00 0.00 N ATOM 0 H ARG A 13 15.389 -1.790 5.302 1.00 0.00 H new ATOM 0 HA ARG A 13 15.103 -4.466 6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.582 -1.909 6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.338 -3.419 7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.010 -1.980 7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.882 -1.795 8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.096 -4.449 7.940 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.705 -3.466 9.257 1.00 0.00 H new ATOM 0 HE ARG A 13 13.918 -3.935 9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.958 -5.738 9.559 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.449 -6.906 10.783 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.286 -5.412 11.278 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.373 -6.721 11.755 1.00 0.00 H new ATOM 209 N LEU A 14 12.835 -3.332 4.140 1.00 0.00 N ATOM 210 CA LEU A 14 11.700 -3.717 3.313 1.00 0.00 C ATOM 211 C LEU A 14 12.097 -4.844 2.366 1.00 0.00 C ATOM 212 O LEU A 14 11.377 -5.832 2.231 1.00 0.00 O ATOM 213 CB LEU A 14 11.184 -2.514 2.517 1.00 0.00 C ATOM 214 CG LEU A 14 10.776 -1.301 3.360 1.00 0.00 C ATOM 215 CD1 LEU A 14 10.274 -0.179 2.465 1.00 0.00 C ATOM 216 CD2 LEU A 14 9.716 -1.684 4.383 1.00 0.00 C ATOM 0 H LEU A 14 13.238 -2.424 3.907 1.00 0.00 H new ATOM 0 HA LEU A 14 10.901 -4.070 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.958 -2.204 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.325 -2.831 1.926 1.00 0.00 H new ATOM 0 HG LEU A 14 11.655 -0.948 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.988 0.675 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.064 0.118 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.409 -0.525 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.442 -0.807 4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.834 -2.066 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.111 -2.454 5.045 1.00 0.00 H new ATOM 228 N LEU A 15 13.258 -4.693 1.725 1.00 0.00 N ATOM 229 CA LEU A 15 13.797 -5.729 0.848 1.00 0.00 C ATOM 230 C LEU A 15 14.101 -6.997 1.632 1.00 0.00 C ATOM 231 O LEU A 15 14.060 -8.098 1.087 1.00 0.00 O ATOM 232 CB LEU A 15 15.066 -5.246 0.137 1.00 0.00 C ATOM 233 CG LEU A 15 14.838 -4.447 -1.150 1.00 0.00 C ATOM 234 CD1 LEU A 15 14.104 -3.149 -0.869 1.00 0.00 C ATOM 235 CD2 LEU A 15 16.164 -4.169 -1.838 1.00 0.00 C ATOM 0 H LEU A 15 13.843 -3.860 1.799 1.00 0.00 H new ATOM 0 HA LEU A 15 13.038 -5.949 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.637 -4.629 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 15 15.682 -6.114 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 15 14.215 -5.046 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.957 -2.605 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.135 -3.369 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.692 -2.540 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.988 -3.601 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.807 -3.594 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.650 -5.113 -2.086 1.00 0.00 H new ATOM 247 N THR A 16 14.418 -6.833 2.910 1.00 0.00 N ATOM 248 CA THR A 16 14.629 -7.971 3.787 1.00 0.00 C ATOM 249 C THR A 16 13.336 -8.778 3.908 1.00 0.00 C ATOM 250 O THR A 16 13.310 -9.968 3.595 1.00 0.00 O ATOM 251 CB THR A 16 15.105 -7.520 5.182 1.00 0.00 C ATOM 252 OG1 THR A 16 16.291 -6.719 5.057 1.00 0.00 O ATOM 253 CG2 THR A 16 15.395 -8.713 6.078 1.00 0.00 C ATOM 0 H THR A 16 14.534 -5.924 3.359 1.00 0.00 H new ATOM 0 HA THR A 16 15.408 -8.597 3.353 1.00 0.00 H new ATOM 0 HB THR A 16 14.307 -6.933 5.636 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.061 -5.855 4.656 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.729 -8.362 7.055 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.489 -9.308 6.196 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.175 -9.326 5.627 1.00 0.00 H new ATOM 261 N ARG A 17 12.268 -8.105 4.348 1.00 0.00 N ATOM 262 CA ARG A 17 10.932 -8.695 4.427 1.00 0.00 C ATOM 263 C ARG A 17 9.914 -7.656 4.876 1.00 0.00 C ATOM 264 O ARG A 17 10.022 -7.095 5.969 1.00 0.00 O ATOM 265 CB ARG A 17 10.891 -9.903 5.372 1.00 0.00 C ATOM 266 CG ARG A 17 10.876 -11.229 4.632 1.00 0.00 C ATOM 267 CD ARG A 17 10.808 -12.412 5.579 1.00 0.00 C ATOM 268 NE ARG A 17 10.849 -13.676 4.851 1.00 0.00 N ATOM 269 CZ ARG A 17 10.334 -14.816 5.298 1.00 0.00 C ATOM 270 NH1 ARG A 17 9.704 -14.859 6.466 1.00 0.00 N ATOM 271 NH2 ARG A 17 10.431 -15.911 4.559 1.00 0.00 N ATOM 0 H ARG A 17 12.308 -7.135 4.659 1.00 0.00 H new ATOM 0 HA ARG A 17 10.677 -9.044 3.426 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.757 -9.871 6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.005 -9.835 6.004 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.021 -11.257 3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.772 -11.310 4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.640 -12.367 6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.892 -12.358 6.167 1.00 0.00 H new ATOM 0 HE ARG A 17 11.303 -13.685 3.938 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.612 -14.012 7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.312 -15.739 6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.899 -15.875 3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.038 -16.790 4.896 1.00 0.00 H new ATOM 285 N GLY A 18 8.932 -7.400 4.027 1.00 0.00 N ATOM 286 CA GLY A 18 7.895 -6.449 4.354 1.00 0.00 C ATOM 287 C GLY A 18 7.242 -5.878 3.115 1.00 0.00 C ATOM 288 O GLY A 18 6.354 -6.498 2.529 1.00 0.00 O ATOM 0 H GLY A 18 8.836 -7.838 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.139 -6.934 4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.319 -5.639 4.947 1.00 0.00 H new ATOM 292 N TRP A 19 7.688 -4.697 2.719 1.00 0.00 N ATOM 293 CA TRP A 19 7.184 -4.044 1.520 1.00 0.00 C ATOM 294 C TRP A 19 8.008 -4.437 0.303 1.00 0.00 C ATOM 295 O TRP A 19 9.235 -4.354 0.323 1.00 0.00 O ATOM 296 CB TRP A 19 7.231 -2.525 1.683 1.00 0.00 C ATOM 297 CG TRP A 19 6.284 -1.978 2.703 1.00 0.00 C ATOM 298 CD1 TRP A 19 5.427 -2.678 3.502 1.00 0.00 C ATOM 299 CD2 TRP A 19 6.091 -0.599 3.021 1.00 0.00 C ATOM 300 NE1 TRP A 19 4.710 -1.815 4.292 1.00 0.00 N ATOM 301 CE2 TRP A 19 5.098 -0.529 4.012 1.00 0.00 C ATOM 302 CE3 TRP A 19 6.662 0.587 2.553 1.00 0.00 C ATOM 303 CZ2 TRP A 19 4.666 0.685 4.546 1.00 0.00 C ATOM 304 CZ3 TRP A 19 6.234 1.786 3.079 1.00 0.00 C ATOM 305 CH2 TRP A 19 5.245 1.829 4.061 1.00 0.00 C ATOM 0 H TRP A 19 8.404 -4.166 3.215 1.00 0.00 H new ATOM 0 HA TRP A 19 6.153 -4.366 1.373 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.245 -2.233 1.955 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.014 -2.063 0.720 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.328 -3.753 3.511 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.003 -2.086 4.976 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.427 0.564 1.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.905 0.722 5.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.672 2.708 2.725 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.928 2.786 4.449 1.00 0.00 H new ATOM 316 N GLN A 20 7.330 -4.864 -0.752 1.00 0.00 N ATOM 317 CA GLN A 20 7.991 -5.146 -2.018 1.00 0.00 C ATOM 318 C GLN A 20 7.995 -3.891 -2.884 1.00 0.00 C ATOM 319 O GLN A 20 6.936 -3.380 -3.255 1.00 0.00 O ATOM 320 CB GLN A 20 7.291 -6.297 -2.750 1.00 0.00 C ATOM 321 CG GLN A 20 7.915 -6.646 -4.096 1.00 0.00 C ATOM 322 CD GLN A 20 9.361 -7.103 -3.988 1.00 0.00 C ATOM 323 OE1 GLN A 20 9.776 -7.674 -2.980 1.00 0.00 O ATOM 324 NE2 GLN A 20 10.133 -6.863 -5.037 1.00 0.00 N ATOM 0 H GLN A 20 6.322 -5.023 -0.757 1.00 0.00 H new ATOM 0 HA GLN A 20 9.019 -5.447 -1.819 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.307 -7.182 -2.113 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.245 -6.033 -2.904 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.327 -7.433 -4.568 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.864 -5.775 -4.749 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.750 -6.387 -5.854 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.110 -7.155 -5.028 1.00 0.00 H new ATOM 333 N PRO A 21 9.184 -3.358 -3.187 1.00 0.00 N ATOM 334 CA PRO A 21 9.323 -2.162 -4.019 1.00 0.00 C ATOM 335 C PRO A 21 8.937 -2.426 -5.471 1.00 0.00 C ATOM 336 O PRO A 21 9.493 -3.314 -6.120 1.00 0.00 O ATOM 337 CB PRO A 21 10.811 -1.818 -3.909 1.00 0.00 C ATOM 338 CG PRO A 21 11.475 -3.107 -3.560 1.00 0.00 C ATOM 339 CD PRO A 21 10.485 -3.872 -2.729 1.00 0.00 C ATOM 0 HA PRO A 21 8.666 -1.356 -3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.195 -1.417 -4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.987 -1.062 -3.143 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.743 -3.663 -4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.397 -2.933 -3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 21 10.571 -4.947 -2.890 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.634 -3.696 -1.664 1.00 0.00 H new ATOM 347 N VAL A 22 7.976 -1.666 -5.972 1.00 0.00 N ATOM 348 CA VAL A 22 7.527 -1.812 -7.350 1.00 0.00 C ATOM 349 C VAL A 22 7.784 -0.543 -8.158 1.00 0.00 C ATOM 350 O VAL A 22 8.231 0.473 -7.623 1.00 0.00 O ATOM 351 CB VAL A 22 6.032 -2.187 -7.435 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.802 -3.597 -6.909 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.178 -1.182 -6.676 1.00 0.00 C ATOM 0 H VAL A 22 7.490 -0.940 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 22 8.110 -2.628 -7.778 1.00 0.00 H new ATOM 0 HB VAL A 22 5.733 -2.160 -8.483 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.742 -3.842 -6.977 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.378 -4.306 -7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.121 -3.654 -5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.129 -1.467 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.477 -1.168 -5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.316 -0.190 -7.106 1.00 0.00 H new ATOM 363 N GLU A 23 7.469 -0.613 -9.443 1.00 0.00 N ATOM 364 CA GLU A 23 7.762 0.457 -10.391 1.00 0.00 C ATOM 365 C GLU A 23 6.741 0.442 -11.512 1.00 0.00 C ATOM 366 O GLU A 23 5.965 -0.503 -11.634 1.00 0.00 O ATOM 367 CB GLU A 23 9.150 0.286 -11.018 1.00 0.00 C ATOM 368 CG GLU A 23 10.315 0.509 -10.074 1.00 0.00 C ATOM 369 CD GLU A 23 11.648 0.330 -10.772 1.00 0.00 C ATOM 370 OE1 GLU A 23 11.702 0.515 -12.006 1.00 0.00 O ATOM 371 OE2 GLU A 23 12.644 0.007 -10.093 1.00 0.00 O ATOM 0 H GLU A 23 7.001 -1.417 -9.861 1.00 0.00 H new ATOM 0 HA GLU A 23 7.727 1.398 -9.842 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.224 -0.721 -11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.242 0.980 -11.854 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.256 1.514 -9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.245 -0.189 -9.240 1.00 0.00 H new ATOM 378 N ALA A 24 6.766 1.473 -12.346 1.00 0.00 N ATOM 379 CA ALA A 24 5.931 1.511 -13.537 1.00 0.00 C ATOM 380 C ALA A 24 6.461 0.524 -14.569 1.00 0.00 C ATOM 381 O ALA A 24 5.728 0.054 -15.436 1.00 0.00 O ATOM 382 CB ALA A 24 5.893 2.914 -14.118 1.00 0.00 C ATOM 0 H ALA A 24 7.357 2.295 -12.219 1.00 0.00 H new ATOM 0 HA ALA A 24 4.915 1.228 -13.263 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.264 2.922 -15.008 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.485 3.603 -13.379 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.903 3.225 -14.385 1.00 0.00 H new ATOM 388 N SER A 25 7.744 0.203 -14.438 1.00 0.00 N ATOM 389 CA SER A 25 8.420 -0.719 -15.338 1.00 0.00 C ATOM 390 C SER A 25 7.807 -2.118 -15.257 1.00 0.00 C ATOM 391 O SER A 25 7.714 -2.829 -16.259 1.00 0.00 O ATOM 392 CB SER A 25 9.901 -0.777 -14.960 1.00 0.00 C ATOM 393 OG SER A 25 10.357 0.494 -14.512 1.00 0.00 O ATOM 0 H SER A 25 8.344 0.577 -13.703 1.00 0.00 H new ATOM 0 HA SER A 25 8.305 -0.364 -16.362 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.052 -1.520 -14.177 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.489 -1.097 -15.821 1.00 0.00 H new ATOM 0 HG SER A 25 10.802 0.395 -13.645 1.00 0.00 H new ATOM 399 N THR A 26 7.365 -2.496 -14.063 1.00 0.00 N ATOM 400 CA THR A 26 6.879 -3.848 -13.827 1.00 0.00 C ATOM 401 C THR A 26 5.439 -3.853 -13.310 1.00 0.00 C ATOM 402 O THR A 26 4.890 -4.916 -13.022 1.00 0.00 O ATOM 403 CB THR A 26 7.795 -4.593 -12.823 1.00 0.00 C ATOM 404 OG1 THR A 26 7.330 -5.934 -12.612 1.00 0.00 O ATOM 405 CG2 THR A 26 7.861 -3.858 -11.491 1.00 0.00 C ATOM 0 H THR A 26 7.334 -1.886 -13.246 1.00 0.00 H new ATOM 0 HA THR A 26 6.898 -4.366 -14.786 1.00 0.00 H new ATOM 0 HB THR A 26 8.796 -4.626 -13.253 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.352 -5.955 -12.678 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.511 -4.403 -10.806 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.259 -2.856 -11.648 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.861 -3.788 -11.064 1.00 0.00 H new ATOM 413 N VAL A 27 4.821 -2.678 -13.213 1.00 0.00 N ATOM 414 CA VAL A 27 3.471 -2.576 -12.663 1.00 0.00 C ATOM 415 C VAL A 27 2.471 -3.357 -13.520 1.00 0.00 C ATOM 416 O VAL A 27 1.601 -4.051 -12.998 1.00 0.00 O ATOM 417 CB VAL A 27 3.013 -1.101 -12.508 1.00 0.00 C ATOM 418 CG1 VAL A 27 2.914 -0.395 -13.851 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.689 -1.024 -11.758 1.00 0.00 C ATOM 0 H VAL A 27 5.229 -1.790 -13.505 1.00 0.00 H new ATOM 0 HA VAL A 27 3.500 -3.017 -11.667 1.00 0.00 H new ATOM 0 HB VAL A 27 3.774 -0.583 -11.924 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.590 0.635 -13.698 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.889 -0.400 -14.338 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.191 -0.912 -14.482 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.386 0.019 -11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.926 -1.573 -12.309 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.806 -1.462 -10.767 1.00 0.00 H new ATOM 429 N ASP A 28 2.633 -3.275 -14.833 1.00 0.00 N ATOM 430 CA ASP A 28 1.749 -3.973 -15.761 1.00 0.00 C ATOM 431 C ASP A 28 1.817 -5.481 -15.554 1.00 0.00 C ATOM 432 O ASP A 28 0.799 -6.140 -15.339 1.00 0.00 O ATOM 433 CB ASP A 28 2.130 -3.631 -17.201 1.00 0.00 C ATOM 434 CG ASP A 28 1.484 -4.559 -18.213 1.00 0.00 C ATOM 435 OD1 ASP A 28 0.329 -4.304 -18.608 1.00 0.00 O ATOM 436 OD2 ASP A 28 2.142 -5.538 -18.627 1.00 0.00 O ATOM 0 H ASP A 28 3.370 -2.731 -15.282 1.00 0.00 H new ATOM 0 HA ASP A 28 0.727 -3.646 -15.567 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.836 -2.604 -17.416 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.214 -3.681 -17.308 1.00 0.00 H new ATOM 441 N ASP A 29 3.030 -6.015 -15.592 1.00 0.00 N ATOM 442 CA ASP A 29 3.231 -7.450 -15.480 1.00 0.00 C ATOM 443 C ASP A 29 2.887 -7.936 -14.080 1.00 0.00 C ATOM 444 O ASP A 29 2.459 -9.069 -13.901 1.00 0.00 O ATOM 445 CB ASP A 29 4.670 -7.820 -15.831 1.00 0.00 C ATOM 446 CG ASP A 29 4.819 -9.293 -16.164 1.00 0.00 C ATOM 447 OD1 ASP A 29 4.383 -9.704 -17.263 1.00 0.00 O ATOM 448 OD2 ASP A 29 5.396 -10.040 -15.346 1.00 0.00 O ATOM 0 H ASP A 29 3.889 -5.475 -15.700 1.00 0.00 H new ATOM 0 HA ASP A 29 2.564 -7.941 -16.188 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.000 -7.222 -16.681 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.322 -7.571 -14.994 1.00 0.00 H new ATOM 453 N TRP A 30 3.068 -7.070 -13.091 1.00 0.00 N ATOM 454 CA TRP A 30 2.763 -7.417 -11.709 1.00 0.00 C ATOM 455 C TRP A 30 1.274 -7.726 -11.562 1.00 0.00 C ATOM 456 O TRP A 30 0.903 -8.821 -11.136 1.00 0.00 O ATOM 457 CB TRP A 30 3.164 -6.275 -10.773 1.00 0.00 C ATOM 458 CG TRP A 30 3.220 -6.663 -9.324 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.243 -7.310 -8.694 1.00 0.00 C ATOM 460 CD2 TRP A 30 2.222 -6.419 -8.325 1.00 0.00 C ATOM 461 NE1 TRP A 30 3.941 -7.486 -7.367 1.00 0.00 N ATOM 462 CE2 TRP A 30 2.707 -6.949 -7.115 1.00 0.00 C ATOM 463 CE3 TRP A 30 0.966 -5.807 -8.334 1.00 0.00 C ATOM 464 CZ2 TRP A 30 1.980 -6.883 -5.930 1.00 0.00 C ATOM 465 CZ3 TRP A 30 0.247 -5.741 -7.157 1.00 0.00 C ATOM 466 CH2 TRP A 30 0.755 -6.277 -5.968 1.00 0.00 C ATOM 0 H TRP A 30 3.424 -6.123 -13.220 1.00 0.00 H new ATOM 0 HA TRP A 30 3.334 -8.305 -11.436 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.141 -5.897 -11.075 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.455 -5.456 -10.892 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.156 -7.636 -9.170 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.539 -7.943 -6.679 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.564 -5.392 -9.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 2.370 -7.296 -5.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.724 -5.268 -7.154 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.168 -6.211 -5.064 1.00 0.00 H new ATOM 477 N ILE A 31 0.426 -6.774 -11.955 1.00 0.00 N ATOM 478 CA ILE A 31 -1.022 -6.972 -11.907 1.00 0.00 C ATOM 479 C ILE A 31 -1.424 -8.154 -12.788 1.00 0.00 C ATOM 480 O ILE A 31 -2.289 -8.949 -12.426 1.00 0.00 O ATOM 481 CB ILE A 31 -1.807 -5.697 -12.336 1.00 0.00 C ATOM 482 CG1 ILE A 31 -1.867 -4.678 -11.192 1.00 0.00 C ATOM 483 CG2 ILE A 31 -3.216 -6.042 -12.795 1.00 0.00 C ATOM 484 CD1 ILE A 31 -0.575 -3.936 -10.952 1.00 0.00 C ATOM 0 H ILE A 31 0.716 -5.862 -12.308 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.283 -7.183 -10.870 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.270 -5.254 -13.174 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.653 -3.954 -11.407 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.151 -5.195 -10.275 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.737 -5.130 -13.087 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.165 -6.720 -13.647 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.757 -6.523 -11.980 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.705 -3.236 -10.127 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.212 -4.648 -10.703 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.298 -3.388 -11.852 1.00 0.00 H new ATOM 496 N LYS A 32 -0.762 -8.274 -13.928 1.00 0.00 N ATOM 497 CA LYS A 32 -1.013 -9.361 -14.864 1.00 0.00 C ATOM 498 C LYS A 32 -0.732 -10.723 -14.225 1.00 0.00 C ATOM 499 O LYS A 32 -1.514 -11.664 -14.364 1.00 0.00 O ATOM 500 CB LYS A 32 -0.118 -9.177 -16.089 1.00 0.00 C ATOM 501 CG LYS A 32 -0.317 -10.225 -17.171 1.00 0.00 C ATOM 502 CD LYS A 32 0.925 -10.359 -18.039 1.00 0.00 C ATOM 503 CE LYS A 32 1.342 -9.032 -18.653 1.00 0.00 C ATOM 504 NZ LYS A 32 2.667 -9.134 -19.320 1.00 0.00 N ATOM 0 H LYS A 32 -0.037 -7.623 -14.231 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.064 -9.335 -15.153 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.304 -8.191 -16.516 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.924 -9.195 -15.769 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.549 -11.186 -16.712 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.171 -9.954 -17.792 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.745 -10.753 -17.439 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.735 -11.081 -18.833 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.592 -8.713 -19.377 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.382 -8.267 -17.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.767 -8.364 -20.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.421 -9.059 -18.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.741 -10.050 -19.807 1.00 0.00 H new ATOM 518 N ARG A 33 0.390 -10.811 -13.525 1.00 0.00 N ATOM 519 CA ARG A 33 0.892 -12.080 -13.017 1.00 0.00 C ATOM 520 C ARG A 33 0.199 -12.501 -11.728 1.00 0.00 C ATOM 521 O ARG A 33 -0.220 -13.649 -11.590 1.00 0.00 O ATOM 522 CB ARG A 33 2.386 -11.945 -12.757 1.00 0.00 C ATOM 523 CG ARG A 33 3.146 -13.261 -12.738 1.00 0.00 C ATOM 524 CD ARG A 33 4.631 -13.020 -12.522 1.00 0.00 C ATOM 525 NE ARG A 33 5.406 -14.259 -12.519 1.00 0.00 N ATOM 526 CZ ARG A 33 6.739 -14.296 -12.470 1.00 0.00 C ATOM 527 NH1 ARG A 33 7.439 -13.165 -12.469 1.00 0.00 N ATOM 528 NH2 ARG A 33 7.367 -15.464 -12.442 1.00 0.00 N ATOM 0 H ARG A 33 0.976 -10.009 -13.294 1.00 0.00 H new ATOM 0 HA ARG A 33 0.689 -12.846 -13.766 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.818 -11.302 -13.524 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.531 -11.443 -11.801 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.757 -13.900 -11.945 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.991 -13.790 -13.678 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.007 -12.363 -13.306 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.777 -12.502 -11.574 1.00 0.00 H new ATOM 0 HE ARG A 33 4.900 -15.144 -12.556 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.957 -12.267 -12.506 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.458 -13.196 -12.431 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.831 -16.332 -12.458 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.386 -15.494 -12.405 1.00 0.00 H new ATOM 542 N VAL A 34 0.077 -11.571 -10.789 1.00 0.00 N ATOM 543 CA VAL A 34 -0.476 -11.897 -9.477 1.00 0.00 C ATOM 544 C VAL A 34 -1.975 -11.605 -9.399 1.00 0.00 C ATOM 545 O VAL A 34 -2.715 -12.322 -8.727 1.00 0.00 O ATOM 546 CB VAL A 34 0.259 -11.160 -8.332 1.00 0.00 C ATOM 547 CG1 VAL A 34 1.746 -11.479 -8.358 1.00 0.00 C ATOM 548 CG2 VAL A 34 0.038 -9.656 -8.390 1.00 0.00 C ATOM 0 H VAL A 34 0.350 -10.595 -10.907 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.324 -12.969 -9.348 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.163 -11.517 -7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.246 -10.951 -7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.890 -12.553 -8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.170 -11.162 -9.311 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.571 -9.178 -7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.411 -9.270 -9.338 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.027 -9.441 -8.305 1.00 0.00 H new ATOM 558 N GLY A 35 -2.416 -10.552 -10.074 1.00 0.00 N ATOM 559 CA GLY A 35 -3.830 -10.223 -10.110 1.00 0.00 C ATOM 560 C GLY A 35 -4.241 -9.254 -9.016 1.00 0.00 C ATOM 561 O GLY A 35 -4.847 -8.217 -9.290 1.00 0.00 O ATOM 0 H GLY A 35 -1.817 -9.916 -10.600 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.072 -9.791 -11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.413 -11.139 -10.015 1.00 0.00 H new ATOM 565 N ASP A 36 -3.901 -9.581 -7.782 1.00 0.00 N ATOM 566 CA ASP A 36 -4.344 -8.799 -6.637 1.00 0.00 C ATOM 567 C ASP A 36 -3.164 -8.151 -5.926 1.00 0.00 C ATOM 568 O ASP A 36 -2.037 -8.648 -5.991 1.00 0.00 O ATOM 569 CB ASP A 36 -5.108 -9.683 -5.652 1.00 0.00 C ATOM 570 CG ASP A 36 -6.307 -10.371 -6.278 1.00 0.00 C ATOM 571 OD1 ASP A 36 -7.389 -9.753 -6.349 1.00 0.00 O ATOM 572 OD2 ASP A 36 -6.174 -11.538 -6.695 1.00 0.00 O ATOM 0 H ASP A 36 -3.318 -10.384 -7.545 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.003 -8.014 -7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.432 -10.438 -5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.443 -9.075 -4.811 1.00 0.00 H new ATOM 577 N GLY A 37 -3.430 -7.041 -5.252 1.00 0.00 N ATOM 578 CA GLY A 37 -2.402 -6.356 -4.495 1.00 0.00 C ATOM 579 C GLY A 37 -2.627 -4.857 -4.467 1.00 0.00 C ATOM 580 O GLY A 37 -3.702 -4.384 -4.826 1.00 0.00 O ATOM 0 H GLY A 37 -4.349 -6.599 -5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.385 -6.740 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.426 -6.569 -4.932 1.00 0.00 H new ATOM 584 N VAL A 38 -1.624 -4.105 -4.036 1.00 0.00 N ATOM 585 CA VAL A 38 -1.738 -2.650 -3.966 1.00 0.00 C ATOM 586 C VAL A 38 -0.445 -1.972 -4.404 1.00 0.00 C ATOM 587 O VAL A 38 0.645 -2.506 -4.199 1.00 0.00 O ATOM 588 CB VAL A 38 -2.095 -2.163 -2.539 1.00 0.00 C ATOM 589 CG1 VAL A 38 -3.525 -2.541 -2.172 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.120 -2.731 -1.515 1.00 0.00 C ATOM 0 H VAL A 38 -0.724 -4.474 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.545 -2.375 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.016 -1.076 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.748 -2.187 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.216 -2.082 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.635 -3.625 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.389 -2.376 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.164 -3.820 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.108 -2.404 -1.755 1.00 0.00 H new ATOM 600 N ILE A 39 -0.575 -0.807 -5.027 1.00 0.00 N ATOM 601 CA ILE A 39 0.580 0.016 -5.371 1.00 0.00 C ATOM 602 C ILE A 39 0.482 1.353 -4.647 1.00 0.00 C ATOM 603 O ILE A 39 -0.529 2.053 -4.752 1.00 0.00 O ATOM 604 CB ILE A 39 0.717 0.264 -6.902 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.255 -0.977 -7.632 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.629 1.450 -7.179 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.239 -2.088 -7.815 1.00 0.00 C ATOM 0 H ILE A 39 -1.472 -0.409 -5.306 1.00 0.00 H new ATOM 0 HA ILE A 39 1.468 -0.531 -5.056 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.282 0.481 -7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.625 -0.675 -8.612 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.107 -1.369 -7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.709 1.604 -8.255 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.214 2.344 -6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.618 1.253 -6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.704 -2.923 -8.339 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.114 -2.422 -6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.604 -1.718 -8.399 1.00 0.00 H new ATOM 619 N LEU A 40 1.519 1.684 -3.894 1.00 0.00 N ATOM 620 CA LEU A 40 1.566 2.943 -3.164 1.00 0.00 C ATOM 621 C LEU A 40 2.349 3.979 -3.972 1.00 0.00 C ATOM 622 O LEU A 40 3.533 3.787 -4.250 1.00 0.00 O ATOM 623 CB LEU A 40 2.229 2.721 -1.797 1.00 0.00 C ATOM 624 CG LEU A 40 1.796 3.665 -0.663 1.00 0.00 C ATOM 625 CD1 LEU A 40 2.468 3.256 0.639 1.00 0.00 C ATOM 626 CD2 LEU A 40 2.125 5.116 -0.982 1.00 0.00 C ATOM 0 H LEU A 40 2.343 1.096 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 40 0.552 3.312 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.029 1.697 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.308 2.811 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 40 0.714 3.583 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.156 3.930 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.180 2.236 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.550 3.309 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.804 5.752 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.200 5.222 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.607 5.415 -1.893 1.00 0.00 H new ATOM 638 N LEU A 41 1.681 5.065 -4.352 1.00 0.00 N ATOM 639 CA LEU A 41 2.327 6.142 -5.098 1.00 0.00 C ATOM 640 C LEU A 41 2.990 7.120 -4.138 1.00 0.00 C ATOM 641 O LEU A 41 2.343 7.601 -3.208 1.00 0.00 O ATOM 642 CB LEU A 41 1.319 6.889 -5.985 1.00 0.00 C ATOM 643 CG LEU A 41 0.815 6.130 -7.221 1.00 0.00 C ATOM 644 CD1 LEU A 41 -0.096 4.976 -6.832 1.00 0.00 C ATOM 645 CD2 LEU A 41 0.097 7.079 -8.167 1.00 0.00 C ATOM 0 H LEU A 41 0.693 5.223 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 41 3.084 5.695 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.458 7.159 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.778 7.820 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 41 1.681 5.711 -7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.434 4.461 -7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.451 4.278 -6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.959 5.361 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.255 6.527 -9.039 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.754 7.529 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.784 7.863 -8.487 1.00 0.00 H new ATOM 657 N SER A 42 4.268 7.417 -4.389 1.00 0.00 N ATOM 658 CA SER A 42 5.077 8.260 -3.509 1.00 0.00 C ATOM 659 C SER A 42 5.285 7.578 -2.159 1.00 0.00 C ATOM 660 O SER A 42 4.382 7.539 -1.326 1.00 0.00 O ATOM 661 CB SER A 42 4.441 9.645 -3.332 1.00 0.00 C ATOM 662 OG SER A 42 5.226 10.474 -2.488 1.00 0.00 O ATOM 0 H SER A 42 4.770 7.078 -5.210 1.00 0.00 H new ATOM 0 HA SER A 42 6.052 8.401 -3.976 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.326 10.121 -4.306 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.442 9.537 -2.910 1.00 0.00 H new ATOM 0 HG SER A 42 4.795 11.349 -2.397 1.00 0.00 H new ATOM 863 N VAL A 56 3.050 5.471 8.089 1.00 0.00 N ATOM 864 CA VAL A 56 2.261 4.547 8.894 1.00 0.00 C ATOM 865 C VAL A 56 0.779 4.647 8.553 1.00 0.00 C ATOM 866 O VAL A 56 0.127 5.661 8.816 1.00 0.00 O ATOM 867 CB VAL A 56 2.470 4.771 10.412 1.00 0.00 C ATOM 868 CG1 VAL A 56 3.836 4.258 10.841 1.00 0.00 C ATOM 869 CG2 VAL A 56 2.329 6.245 10.784 1.00 0.00 C ATOM 0 HA VAL A 56 2.613 3.544 8.651 1.00 0.00 H new ATOM 0 HB VAL A 56 1.695 4.212 10.937 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.967 4.423 11.910 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.908 3.192 10.627 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.613 4.791 10.294 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.482 6.366 11.856 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.073 6.830 10.243 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.331 6.594 10.518 1.00 0.00 H new ATOM 879 N MET A 57 0.263 3.582 7.953 1.00 0.00 N ATOM 880 CA MET A 57 -1.136 3.505 7.541 1.00 0.00 C ATOM 881 C MET A 57 -1.386 2.192 6.810 1.00 0.00 C ATOM 882 O MET A 57 -2.198 1.369 7.235 1.00 0.00 O ATOM 883 CB MET A 57 -1.509 4.671 6.622 1.00 0.00 C ATOM 884 CG MET A 57 -3.000 4.782 6.364 1.00 0.00 C ATOM 885 SD MET A 57 -3.413 6.095 5.196 1.00 0.00 S ATOM 886 CE MET A 57 -2.579 7.496 5.940 1.00 0.00 C ATOM 0 H MET A 57 0.803 2.744 7.737 1.00 0.00 H new ATOM 0 HA MET A 57 -1.754 3.558 8.437 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.154 5.601 7.066 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.991 4.554 5.670 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.369 3.831 5.980 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.514 4.966 7.307 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.151 8.404 5.747 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.496 7.341 7.016 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.582 7.597 5.510 1.00 0.00 H new ATOM 896 N ILE A 58 -0.654 2.003 5.712 1.00 0.00 N ATOM 897 CA ILE A 58 -0.791 0.813 4.880 1.00 0.00 C ATOM 898 C ILE A 58 -0.341 -0.422 5.648 1.00 0.00 C ATOM 899 O ILE A 58 -0.893 -1.511 5.483 1.00 0.00 O ATOM 900 CB ILE A 58 0.018 0.935 3.555 1.00 0.00 C ATOM 901 CG1 ILE A 58 -0.554 2.040 2.653 1.00 0.00 C ATOM 902 CG2 ILE A 58 0.032 -0.387 2.804 1.00 0.00 C ATOM 903 CD1 ILE A 58 -0.170 3.446 3.067 1.00 0.00 C ATOM 0 H ILE A 58 0.045 2.667 5.378 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.845 0.717 4.620 1.00 0.00 H new ATOM 0 HB ILE A 58 1.041 1.200 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.215 1.870 1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.641 1.960 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.603 -0.276 1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.493 -1.154 3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.990 -0.680 2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.615 4.163 2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.533 3.640 4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.915 3.548 3.046 1.00 0.00 H new ATOM 915 N ALA A 59 0.652 -0.235 6.513 1.00 0.00 N ATOM 916 CA ALA A 59 1.174 -1.326 7.323 1.00 0.00 C ATOM 917 C ALA A 59 0.085 -1.890 8.231 1.00 0.00 C ATOM 918 O ALA A 59 -0.150 -3.098 8.248 1.00 0.00 O ATOM 919 CB ALA A 59 2.364 -0.857 8.144 1.00 0.00 C ATOM 0 H ALA A 59 1.110 0.663 6.669 1.00 0.00 H new ATOM 0 HA ALA A 59 1.508 -2.120 6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.742 -1.685 8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.150 -0.504 7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.055 -0.045 8.802 1.00 0.00 H new ATOM 925 N GLU A 60 -0.587 -1.008 8.971 1.00 0.00 N ATOM 926 CA GLU A 60 -1.675 -1.411 9.847 1.00 0.00 C ATOM 927 C GLU A 60 -2.794 -2.071 9.048 1.00 0.00 C ATOM 928 O GLU A 60 -3.327 -3.101 9.454 1.00 0.00 O ATOM 929 CB GLU A 60 -2.223 -0.209 10.619 1.00 0.00 C ATOM 930 CG GLU A 60 -1.187 0.518 11.457 1.00 0.00 C ATOM 931 CD GLU A 60 -0.474 1.623 10.703 1.00 0.00 C ATOM 932 OE1 GLU A 60 0.435 1.317 9.900 1.00 0.00 O ATOM 933 OE2 GLU A 60 -0.820 2.804 10.925 1.00 0.00 O ATOM 0 H GLU A 60 -0.392 -0.007 8.977 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.281 -2.134 10.561 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.660 0.495 9.911 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.029 -0.547 11.271 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.673 0.942 12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.451 -0.201 11.816 1.00 0.00 H new ATOM 940 N LEU A 61 -3.123 -1.477 7.902 1.00 0.00 N ATOM 941 CA LEU A 61 -4.132 -2.030 7.000 1.00 0.00 C ATOM 942 C LEU A 61 -3.839 -3.488 6.675 1.00 0.00 C ATOM 943 O LEU A 61 -4.698 -4.358 6.813 1.00 0.00 O ATOM 944 CB LEU A 61 -4.169 -1.222 5.702 1.00 0.00 C ATOM 945 CG LEU A 61 -5.048 0.026 5.731 1.00 0.00 C ATOM 946 CD1 LEU A 61 -4.897 0.808 4.439 1.00 0.00 C ATOM 947 CD2 LEU A 61 -6.504 -0.355 5.956 1.00 0.00 C ATOM 0 H LEU A 61 -2.702 -0.607 7.575 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.098 -1.972 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.151 -0.923 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.517 -1.872 4.899 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.726 0.659 6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.530 1.695 4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.857 1.109 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.196 0.182 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.117 0.546 5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.839 -1.006 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.600 -0.879 6.907 1.00 0.00 H new ATOM 959 N LEU A 62 -2.612 -3.734 6.255 1.00 0.00 N ATOM 960 CA LEU A 62 -2.159 -5.075 5.905 1.00 0.00 C ATOM 961 C LEU A 62 -2.219 -6.020 7.104 1.00 0.00 C ATOM 962 O LEU A 62 -2.493 -7.212 6.958 1.00 0.00 O ATOM 963 CB LEU A 62 -0.726 -5.011 5.381 1.00 0.00 C ATOM 964 CG LEU A 62 -0.123 -6.351 4.951 1.00 0.00 C ATOM 965 CD1 LEU A 62 -0.811 -6.875 3.698 1.00 0.00 C ATOM 966 CD2 LEU A 62 1.373 -6.211 4.730 1.00 0.00 C ATOM 0 H LEU A 62 -1.899 -3.013 6.146 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.825 -5.463 5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.698 -4.330 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.093 -4.579 6.156 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.285 -7.075 5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.367 -7.828 3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.873 -7.016 3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.686 -6.157 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.787 -7.172 4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.558 -5.472 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.849 -5.888 5.656 1.00 0.00 H new ATOM 978 N ARG A 63 -1.951 -5.488 8.283 1.00 0.00 N ATOM 979 CA ARG A 63 -1.867 -6.306 9.486 1.00 0.00 C ATOM 980 C ARG A 63 -3.240 -6.726 10.002 1.00 0.00 C ATOM 981 O ARG A 63 -3.401 -7.840 10.499 1.00 0.00 O ATOM 982 CB ARG A 63 -1.098 -5.571 10.587 1.00 0.00 C ATOM 983 CG ARG A 63 0.378 -5.381 10.276 1.00 0.00 C ATOM 984 CD ARG A 63 1.052 -6.708 9.974 1.00 0.00 C ATOM 985 NE ARG A 63 2.477 -6.554 9.678 1.00 0.00 N ATOM 986 CZ ARG A 63 3.130 -7.277 8.768 1.00 0.00 C ATOM 987 NH1 ARG A 63 2.478 -8.162 8.021 1.00 0.00 N ATOM 988 NH2 ARG A 63 4.436 -7.101 8.598 1.00 0.00 N ATOM 0 H ARG A 63 -1.787 -4.493 8.436 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.328 -7.213 9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.555 -4.595 10.748 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.196 -6.127 11.520 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.489 -4.711 9.423 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.872 -4.904 11.122 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.931 -7.377 10.826 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.556 -7.180 9.126 1.00 0.00 H new ATOM 0 HE ARG A 63 3.002 -5.852 10.199 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.473 -8.290 8.143 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.982 -8.713 7.326 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.936 -6.414 9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.939 -7.653 7.903 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.229 -5.848 9.900 1.00 0.00 N ATOM 1003 CA GLU A 64 -5.537 -6.133 10.460 1.00 0.00 C ATOM 1004 C GLU A 64 -6.604 -6.326 9.381 1.00 0.00 C ATOM 1005 O GLU A 64 -7.793 -6.139 9.641 1.00 0.00 O ATOM 1006 CB GLU A 64 -5.942 -5.015 11.419 1.00 0.00 C ATOM 1007 CG GLU A 64 -6.053 -3.645 10.772 1.00 0.00 C ATOM 1008 CD GLU A 64 -6.425 -2.569 11.767 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -7.628 -2.426 12.075 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -5.517 -1.871 12.261 1.00 0.00 O ATOM 0 H GLU A 64 -4.149 -4.942 9.439 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.465 -7.075 11.004 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.901 -5.269 11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.213 -4.964 12.227 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.103 -3.390 10.302 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.801 -3.679 9.980 1.00 0.00 H new ATOM 1017 N PHE A 65 -6.185 -6.719 8.181 1.00 0.00 N ATOM 1018 CA PHE A 65 -7.134 -6.988 7.101 1.00 0.00 C ATOM 1019 C PHE A 65 -7.768 -8.366 7.291 1.00 0.00 C ATOM 1020 O PHE A 65 -7.116 -9.388 7.094 1.00 0.00 O ATOM 1021 CB PHE A 65 -6.448 -6.917 5.730 1.00 0.00 C ATOM 1022 CG PHE A 65 -7.275 -6.221 4.686 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -8.214 -6.919 3.944 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -7.110 -4.866 4.446 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -8.973 -6.277 2.983 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -7.865 -4.220 3.488 1.00 0.00 C ATOM 1027 CZ PHE A 65 -8.797 -4.927 2.753 1.00 0.00 C ATOM 0 H PHE A 65 -5.206 -6.858 7.932 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.910 -6.223 7.136 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.496 -6.397 5.835 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.224 -7.928 5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.355 -7.976 4.118 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.381 -4.308 5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.703 -6.831 2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.727 -3.163 3.313 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.387 -4.425 2.000 1.00 0.00 H new ATOM 1037 N PRO A 66 -9.053 -8.413 7.673 1.00 0.00 N ATOM 1038 CA PRO A 66 -9.741 -9.655 7.991 1.00 0.00 C ATOM 1039 C PRO A 66 -10.520 -10.233 6.812 1.00 0.00 C ATOM 1040 O PRO A 66 -11.369 -11.106 6.989 1.00 0.00 O ATOM 1041 CB PRO A 66 -10.696 -9.203 9.092 1.00 0.00 C ATOM 1042 CG PRO A 66 -11.051 -7.790 8.739 1.00 0.00 C ATOM 1043 CD PRO A 66 -9.948 -7.257 7.848 1.00 0.00 C ATOM 0 HA PRO A 66 -9.054 -10.454 8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.583 -9.835 9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -10.223 -9.258 10.072 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.012 -7.752 8.225 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.146 -7.182 9.638 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.339 -6.905 6.893 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.431 -6.416 8.310 1.00 0.00 H new ATOM 1051 N GLN A 67 -10.236 -9.749 5.612 1.00 0.00 N ATOM 1052 CA GLN A 67 -10.975 -10.184 4.435 1.00 0.00 C ATOM 1053 C GLN A 67 -10.225 -11.299 3.710 1.00 0.00 C ATOM 1054 O GLN A 67 -10.681 -12.438 3.680 1.00 0.00 O ATOM 1055 CB GLN A 67 -11.221 -9.002 3.490 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.601 -9.000 2.839 1.00 0.00 C ATOM 1057 CD GLN A 67 -12.848 -10.199 1.940 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -12.551 -10.169 0.748 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -13.414 -11.255 2.502 1.00 0.00 N ATOM 0 H GLN A 67 -9.506 -9.061 5.428 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.939 -10.574 4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.092 -8.073 4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.462 -9.013 2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.362 -8.978 3.619 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.717 -8.087 2.254 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.646 -11.241 3.495 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.619 -12.083 1.942 1.00 0.00 H new ATOM 1068 N PHE A 68 -9.067 -10.975 3.149 1.00 0.00 N ATOM 1069 CA PHE A 68 -8.323 -11.938 2.346 1.00 0.00 C ATOM 1070 C PHE A 68 -6.813 -11.783 2.503 1.00 0.00 C ATOM 1071 O PHE A 68 -6.335 -10.892 3.207 1.00 0.00 O ATOM 1072 CB PHE A 68 -8.708 -11.822 0.863 1.00 0.00 C ATOM 1073 CG PHE A 68 -8.777 -10.411 0.322 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -7.942 -9.403 0.798 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -9.682 -10.100 -0.680 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -8.017 -8.124 0.285 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -9.760 -8.820 -1.194 1.00 0.00 C ATOM 1078 CZ PHE A 68 -8.927 -7.830 -0.711 1.00 0.00 C ATOM 0 H PHE A 68 -8.625 -10.060 3.234 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.593 -12.928 2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.986 -12.385 0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.678 -12.297 0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.228 -9.625 1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -10.336 -10.869 -1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.363 -7.352 0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -10.472 -8.594 -1.974 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.987 -6.829 -1.111 1.00 0.00 H new ATOM 1088 N ASP A 69 -6.083 -12.664 1.829 1.00 0.00 N ATOM 1089 CA ASP A 69 -4.625 -12.648 1.832 1.00 0.00 C ATOM 1090 C ASP A 69 -4.124 -12.195 0.465 1.00 0.00 C ATOM 1091 O ASP A 69 -4.370 -12.866 -0.540 1.00 0.00 O ATOM 1092 CB ASP A 69 -4.096 -14.053 2.150 1.00 0.00 C ATOM 1093 CG ASP A 69 -2.585 -14.112 2.278 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -1.899 -14.319 1.255 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -2.079 -13.982 3.417 1.00 0.00 O ATOM 0 H ASP A 69 -6.486 -13.411 1.264 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.266 -11.955 2.593 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.546 -14.401 3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.414 -14.739 1.365 1.00 0.00 H new ATOM 1100 N TRP A 70 -3.444 -11.056 0.421 1.00 0.00 N ATOM 1101 CA TRP A 70 -3.009 -10.479 -0.846 1.00 0.00 C ATOM 1102 C TRP A 70 -1.606 -9.891 -0.743 1.00 0.00 C ATOM 1103 O TRP A 70 -0.986 -9.912 0.324 1.00 0.00 O ATOM 1104 CB TRP A 70 -4.006 -9.417 -1.329 1.00 0.00 C ATOM 1105 CG TRP A 70 -4.203 -8.238 -0.413 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.795 -8.099 0.888 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -4.883 -7.022 -0.745 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -4.183 -6.877 1.378 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -4.850 -6.198 0.395 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -5.517 -6.550 -1.899 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.427 -4.932 0.417 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -6.089 -5.293 -1.876 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -6.040 -4.497 -0.725 1.00 0.00 C ATOM 0 H TRP A 70 -3.182 -10.515 1.245 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.976 -11.284 -1.580 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.673 -9.048 -2.299 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.972 -9.897 -1.485 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.247 -8.843 1.447 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.003 -6.532 2.321 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.558 -7.157 -2.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.392 -4.316 1.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -6.582 -4.918 -2.760 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -6.496 -3.518 -0.740 1.00 0.00 H new ATOM 1124 N GLN A 71 -1.117 -9.356 -1.857 1.00 0.00 N ATOM 1125 CA GLN A 71 0.245 -8.859 -1.937 1.00 0.00 C ATOM 1126 C GLN A 71 0.303 -7.379 -1.591 1.00 0.00 C ATOM 1127 O GLN A 71 -0.572 -6.605 -1.975 1.00 0.00 O ATOM 1128 CB GLN A 71 0.828 -9.075 -3.341 1.00 0.00 C ATOM 1129 CG GLN A 71 1.054 -10.534 -3.735 1.00 0.00 C ATOM 1130 CD GLN A 71 -0.230 -11.317 -3.946 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -0.732 -11.975 -3.040 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -0.779 -11.234 -5.147 1.00 0.00 N ATOM 0 H GLN A 71 -1.651 -9.257 -2.720 1.00 0.00 H new ATOM 0 HA GLN A 71 0.839 -9.419 -1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.158 -8.618 -4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.779 -8.546 -3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.643 -10.566 -4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.644 -11.023 -2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.332 -10.677 -5.875 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.650 -11.727 -5.345 1.00 0.00 H new ATOM 1141 N VAL A 72 1.337 -6.992 -0.864 1.00 0.00 N ATOM 1142 CA VAL A 72 1.558 -5.593 -0.533 1.00 0.00 C ATOM 1143 C VAL A 72 2.787 -5.069 -1.270 1.00 0.00 C ATOM 1144 O VAL A 72 3.841 -5.707 -1.276 1.00 0.00 O ATOM 1145 CB VAL A 72 1.717 -5.383 0.993 1.00 0.00 C ATOM 1146 CG1 VAL A 72 2.892 -6.184 1.543 1.00 0.00 C ATOM 1147 CG2 VAL A 72 1.866 -3.904 1.321 1.00 0.00 C ATOM 0 H VAL A 72 2.040 -7.629 -0.490 1.00 0.00 H new ATOM 0 HA VAL A 72 0.680 -5.032 -0.852 1.00 0.00 H new ATOM 0 HB VAL A 72 0.812 -5.750 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.977 -6.015 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.729 -7.245 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.811 -5.865 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.976 -3.780 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.747 -3.507 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.981 -3.365 0.982 1.00 0.00 H new ATOM 1157 N ALA A 73 2.641 -3.926 -1.916 1.00 0.00 N ATOM 1158 CA ALA A 73 3.732 -3.350 -2.676 1.00 0.00 C ATOM 1159 C ALA A 73 3.741 -1.832 -2.570 1.00 0.00 C ATOM 1160 O ALA A 73 2.690 -1.191 -2.529 1.00 0.00 O ATOM 1161 CB ALA A 73 3.643 -3.777 -4.132 1.00 0.00 C ATOM 0 H ALA A 73 1.779 -3.381 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 73 4.666 -3.720 -2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.469 -3.337 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.699 -4.864 -4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.697 -3.437 -4.554 1.00 0.00 H new ATOM 1167 N VAL A 74 4.934 -1.265 -2.521 1.00 0.00 N ATOM 1168 CA VAL A 74 5.100 0.177 -2.467 1.00 0.00 C ATOM 1169 C VAL A 74 6.089 0.600 -3.545 1.00 0.00 C ATOM 1170 O VAL A 74 7.028 -0.133 -3.855 1.00 0.00 O ATOM 1171 CB VAL A 74 5.575 0.651 -1.072 1.00 0.00 C ATOM 1172 CG1 VAL A 74 4.582 0.212 -0.002 1.00 0.00 C ATOM 1173 CG2 VAL A 74 6.979 0.132 -0.773 1.00 0.00 C ATOM 0 H VAL A 74 5.810 -1.788 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 74 4.133 0.647 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 74 5.620 1.740 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.926 0.551 0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.605 0.646 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.504 -0.875 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.292 0.477 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.976 -0.958 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.673 0.505 -1.526 1.00 0.00 H new ATOM 1183 N ALA A 75 5.872 1.756 -4.141 1.00 0.00 N ATOM 1184 CA ALA A 75 6.677 2.164 -5.276 1.00 0.00 C ATOM 1185 C ALA A 75 7.707 3.214 -4.891 1.00 0.00 C ATOM 1186 O ALA A 75 7.545 3.920 -3.895 1.00 0.00 O ATOM 1187 CB ALA A 75 5.788 2.689 -6.388 1.00 0.00 C ATOM 0 H ALA A 75 5.153 2.423 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 75 7.217 1.285 -5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.404 2.992 -7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.099 1.906 -6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.221 3.547 -6.026 1.00 0.00 H new ATOM 1193 N ASP A 76 8.769 3.291 -5.688 1.00 0.00 N ATOM 1194 CA ASP A 76 9.794 4.324 -5.545 1.00 0.00 C ATOM 1195 C ASP A 76 9.153 5.705 -5.636 1.00 0.00 C ATOM 1196 O ASP A 76 8.261 5.919 -6.460 1.00 0.00 O ATOM 1197 CB ASP A 76 10.850 4.155 -6.647 1.00 0.00 C ATOM 1198 CG ASP A 76 11.974 5.177 -6.580 1.00 0.00 C ATOM 1199 OD1 ASP A 76 11.758 6.334 -6.995 1.00 0.00 O ATOM 1200 OD2 ASP A 76 13.091 4.813 -6.152 1.00 0.00 O ATOM 0 H ASP A 76 8.945 2.639 -6.452 1.00 0.00 H new ATOM 0 HA ASP A 76 10.276 4.225 -4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.277 3.154 -6.578 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.362 4.228 -7.619 1.00 0.00 H new ATOM 1205 N LEU A 77 9.601 6.628 -4.789 1.00 0.00 N ATOM 1206 CA LEU A 77 9.018 7.967 -4.715 1.00 0.00 C ATOM 1207 C LEU A 77 8.970 8.621 -6.097 1.00 0.00 C ATOM 1208 O LEU A 77 7.968 9.222 -6.470 1.00 0.00 O ATOM 1209 CB LEU A 77 9.823 8.832 -3.729 1.00 0.00 C ATOM 1210 CG LEU A 77 9.110 10.078 -3.182 1.00 0.00 C ATOM 1211 CD1 LEU A 77 9.800 10.567 -1.918 1.00 0.00 C ATOM 1212 CD2 LEU A 77 9.086 11.200 -4.209 1.00 0.00 C ATOM 0 H LEU A 77 10.372 6.472 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 77 7.993 7.882 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.116 8.207 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.740 9.151 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 77 8.082 9.795 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.285 11.450 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.774 9.782 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.836 10.820 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.574 12.066 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.108 11.474 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.559 10.865 -5.102 1.00 0.00 H new ATOM 1224 N GLU A 78 10.047 8.481 -6.856 1.00 0.00 N ATOM 1225 CA GLU A 78 10.120 9.067 -8.184 1.00 0.00 C ATOM 1226 C GLU A 78 9.334 8.228 -9.191 1.00 0.00 C ATOM 1227 O GLU A 78 8.444 8.730 -9.875 1.00 0.00 O ATOM 1228 CB GLU A 78 11.579 9.183 -8.622 1.00 0.00 C ATOM 1229 CG GLU A 78 11.778 9.860 -9.970 1.00 0.00 C ATOM 1230 CD GLU A 78 11.363 11.315 -9.962 1.00 0.00 C ATOM 1231 OE1 GLU A 78 12.112 12.148 -9.409 1.00 0.00 O ATOM 1232 OE2 GLU A 78 10.300 11.641 -10.524 1.00 0.00 O ATOM 0 H GLU A 78 10.881 7.967 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 78 9.677 10.062 -8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.130 9.740 -7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.014 8.184 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.827 9.788 -10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.203 9.327 -10.728 1.00 0.00 H new ATOM 1239 N GLN A 79 9.645 6.935 -9.240 1.00 0.00 N ATOM 1240 CA GLN A 79 9.099 6.032 -10.257 1.00 0.00 C ATOM 1241 C GLN A 79 7.576 5.898 -10.175 1.00 0.00 C ATOM 1242 O GLN A 79 6.927 5.544 -11.159 1.00 0.00 O ATOM 1243 CB GLN A 79 9.724 4.641 -10.132 1.00 0.00 C ATOM 1244 CG GLN A 79 11.237 4.610 -10.303 1.00 0.00 C ATOM 1245 CD GLN A 79 11.710 5.118 -11.654 1.00 0.00 C ATOM 1246 OE1 GLN A 79 12.813 5.644 -11.774 1.00 0.00 O ATOM 1247 NE2 GLN A 79 10.888 4.957 -12.680 1.00 0.00 N ATOM 0 H GLN A 79 10.279 6.483 -8.581 1.00 0.00 H new ATOM 0 HA GLN A 79 9.348 6.475 -11.222 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.473 4.231 -9.154 1.00 0.00 H new ATOM 0 HB3 GLN A 79 9.273 3.986 -10.878 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.695 5.212 -9.518 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.588 3.587 -10.166 1.00 0.00 H new ATOM 0 HE21 GLN A 79 9.979 4.515 -12.541 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.164 5.275 -13.609 1.00 0.00 H new ATOM 1256 N SER A 80 7.011 6.156 -9.003 1.00 0.00 N ATOM 1257 CA SER A 80 5.579 5.983 -8.793 1.00 0.00 C ATOM 1258 C SER A 80 4.752 7.012 -9.569 1.00 0.00 C ATOM 1259 O SER A 80 3.566 6.791 -9.823 1.00 0.00 O ATOM 1260 CB SER A 80 5.249 6.044 -7.303 1.00 0.00 C ATOM 1261 OG SER A 80 5.815 7.194 -6.702 1.00 0.00 O ATOM 0 H SER A 80 7.521 6.486 -8.184 1.00 0.00 H new ATOM 0 HA SER A 80 5.311 4.999 -9.178 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.168 6.054 -7.167 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.624 5.149 -6.807 1.00 0.00 H new ATOM 0 HG SER A 80 6.742 7.006 -6.444 1.00 0.00 H new ATOM 1267 N GLU A 81 5.370 8.127 -9.951 1.00 0.00 N ATOM 1268 CA GLU A 81 4.673 9.142 -10.733 1.00 0.00 C ATOM 1269 C GLU A 81 4.302 8.579 -12.100 1.00 0.00 C ATOM 1270 O GLU A 81 3.183 8.769 -12.588 1.00 0.00 O ATOM 1271 CB GLU A 81 5.536 10.397 -10.887 1.00 0.00 C ATOM 1272 CG GLU A 81 4.851 11.514 -11.660 1.00 0.00 C ATOM 1273 CD GLU A 81 5.709 12.756 -11.778 1.00 0.00 C ATOM 1274 OE1 GLU A 81 6.762 12.696 -12.444 1.00 0.00 O ATOM 1275 OE2 GLU A 81 5.325 13.806 -11.221 1.00 0.00 O ATOM 0 H GLU A 81 6.342 8.348 -9.734 1.00 0.00 H new ATOM 0 HA GLU A 81 3.761 9.422 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.808 10.765 -9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.463 10.131 -11.394 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.597 11.157 -12.658 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.914 11.771 -11.166 1.00 0.00 H new ATOM 1282 N ALA A 82 5.245 7.867 -12.703 1.00 0.00 N ATOM 1283 CA ALA A 82 5.013 7.203 -13.975 1.00 0.00 C ATOM 1284 C ALA A 82 3.932 6.135 -13.850 1.00 0.00 C ATOM 1285 O ALA A 82 3.246 5.826 -14.822 1.00 0.00 O ATOM 1286 CB ALA A 82 6.299 6.584 -14.495 1.00 0.00 C ATOM 0 H ALA A 82 6.184 7.735 -12.327 1.00 0.00 H new ATOM 0 HA ALA A 82 4.670 7.955 -14.685 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.106 6.091 -15.448 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.048 7.364 -14.635 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.667 5.852 -13.776 1.00 0.00 H new ATOM 1292 N ILE A 83 3.793 5.561 -12.655 1.00 0.00 N ATOM 1293 CA ILE A 83 2.761 4.559 -12.408 1.00 0.00 C ATOM 1294 C ILE A 83 1.380 5.184 -12.527 1.00 0.00 C ATOM 1295 O ILE A 83 0.499 4.646 -13.194 1.00 0.00 O ATOM 1296 CB ILE A 83 2.900 3.909 -11.013 1.00 0.00 C ATOM 1297 CG1 ILE A 83 4.274 3.251 -10.863 1.00 0.00 C ATOM 1298 CG2 ILE A 83 1.788 2.889 -10.789 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.468 2.541 -9.538 1.00 0.00 C ATOM 0 H ILE A 83 4.380 5.772 -11.848 1.00 0.00 H new ATOM 0 HA ILE A 83 2.889 3.781 -13.161 1.00 0.00 H new ATOM 0 HB ILE A 83 2.810 4.688 -10.256 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.415 2.535 -11.673 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.046 4.013 -10.973 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.900 2.440 -9.802 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.820 3.386 -10.854 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.849 2.111 -11.550 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.464 2.099 -9.504 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.360 3.256 -8.723 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.719 1.756 -9.433 1.00 0.00 H new ATOM 1311 N GLY A 84 1.202 6.327 -11.882 1.00 0.00 N ATOM 1312 CA GLY A 84 -0.059 7.029 -11.972 1.00 0.00 C ATOM 1313 C GLY A 84 -0.351 7.470 -13.390 1.00 0.00 C ATOM 1314 O GLY A 84 -1.485 7.365 -13.863 1.00 0.00 O ATOM 0 H GLY A 84 1.907 6.779 -11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.862 6.382 -11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.039 7.900 -11.316 1.00 0.00 H new ATOM 1318 N ASP A 85 0.686 7.941 -14.073 1.00 0.00 N ATOM 1319 CA ASP A 85 0.568 8.403 -15.454 1.00 0.00 C ATOM 1320 C ASP A 85 0.203 7.251 -16.382 1.00 0.00 C ATOM 1321 O ASP A 85 -0.539 7.428 -17.349 1.00 0.00 O ATOM 1322 CB ASP A 85 1.887 9.026 -15.903 1.00 0.00 C ATOM 1323 CG ASP A 85 1.771 9.741 -17.233 1.00 0.00 C ATOM 1324 OD1 ASP A 85 1.265 10.884 -17.252 1.00 0.00 O ATOM 1325 OD2 ASP A 85 2.206 9.178 -18.256 1.00 0.00 O ATOM 0 H ASP A 85 1.628 8.014 -13.689 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.225 9.149 -15.501 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.228 9.731 -15.145 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.645 8.247 -15.979 1.00 0.00 H new ATOM 1330 N ARG A 86 0.745 6.078 -16.071 1.00 0.00 N ATOM 1331 CA ARG A 86 0.440 4.841 -16.791 1.00 0.00 C ATOM 1332 C ARG A 86 -1.061 4.680 -17.003 1.00 0.00 C ATOM 1333 O ARG A 86 -1.515 4.383 -18.108 1.00 0.00 O ATOM 1334 CB ARG A 86 0.983 3.645 -16.004 1.00 0.00 C ATOM 1335 CG ARG A 86 0.492 2.287 -16.485 1.00 0.00 C ATOM 1336 CD ARG A 86 0.996 1.948 -17.877 1.00 0.00 C ATOM 1337 NE ARG A 86 0.475 0.658 -18.327 1.00 0.00 N ATOM 1338 CZ ARG A 86 1.186 -0.247 -18.995 1.00 0.00 C ATOM 1339 NH1 ARG A 86 2.443 0.005 -19.332 1.00 0.00 N ATOM 1340 NH2 ARG A 86 0.641 -1.405 -19.334 1.00 0.00 N ATOM 0 H ARG A 86 1.412 5.955 -15.309 1.00 0.00 H new ATOM 0 HA ARG A 86 0.916 4.888 -17.770 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.072 3.660 -16.053 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.710 3.764 -14.956 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.819 1.517 -15.786 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.598 2.277 -16.484 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.695 2.729 -18.576 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.086 1.923 -17.876 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.498 0.437 -18.115 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.870 0.896 -19.079 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.983 -0.692 -19.844 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.327 -1.606 -19.083 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.189 -2.096 -19.846 1.00 0.00 H new ATOM 1354 N PHE A 87 -1.821 4.871 -15.938 1.00 0.00 N ATOM 1355 CA PHE A 87 -3.269 4.796 -16.035 1.00 0.00 C ATOM 1356 C PHE A 87 -3.813 6.127 -16.527 1.00 0.00 C ATOM 1357 O PHE A 87 -4.129 6.278 -17.709 1.00 0.00 O ATOM 1358 CB PHE A 87 -3.909 4.457 -14.685 1.00 0.00 C ATOM 1359 CG PHE A 87 -3.156 3.441 -13.886 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.134 2.107 -14.261 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -2.469 3.827 -12.754 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -2.434 1.179 -13.515 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -1.772 2.909 -12.004 1.00 0.00 C ATOM 1364 CZ PHE A 87 -1.752 1.581 -12.383 1.00 0.00 C ATOM 0 H PHE A 87 -1.464 5.077 -15.005 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.518 4.001 -16.738 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.997 5.371 -14.098 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.921 4.090 -14.857 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.669 1.790 -15.144 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.479 4.864 -12.453 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.420 0.142 -13.816 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.240 3.226 -11.119 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.204 0.859 -11.796 1.00 0.00 H new ATOM 1374 N ASN A 88 -3.873 7.094 -15.611 1.00 0.00 N ATOM 1375 CA ASN A 88 -4.419 8.422 -15.895 1.00 0.00 C ATOM 1376 C ASN A 88 -4.552 9.228 -14.599 1.00 0.00 C ATOM 1377 O ASN A 88 -5.346 10.163 -14.509 1.00 0.00 O ATOM 1378 CB ASN A 88 -5.795 8.308 -16.580 1.00 0.00 C ATOM 1379 CG ASN A 88 -6.219 9.574 -17.306 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -5.856 9.788 -18.461 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -7.009 10.408 -16.649 1.00 0.00 N ATOM 0 H ASN A 88 -3.545 6.979 -14.652 1.00 0.00 H new ATOM 0 HA ASN A 88 -3.733 8.937 -16.568 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.770 7.482 -17.291 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.546 8.060 -15.830 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.337 11.262 -17.100 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.290 10.197 -15.691 1.00 0.00 H new ATOM 1388 N VAL A 89 -3.750 8.892 -13.598 1.00 0.00 N ATOM 1389 CA VAL A 89 -3.899 9.488 -12.278 1.00 0.00 C ATOM 1390 C VAL A 89 -2.651 10.272 -11.892 1.00 0.00 C ATOM 1391 O VAL A 89 -1.589 9.696 -11.674 1.00 0.00 O ATOM 1392 CB VAL A 89 -4.171 8.416 -11.199 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -4.404 9.067 -9.839 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -5.360 7.548 -11.589 1.00 0.00 C ATOM 0 H VAL A 89 -2.993 8.213 -13.674 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.754 10.163 -12.330 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.291 7.777 -11.126 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.594 8.295 -9.094 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.521 9.638 -9.553 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.264 9.734 -9.897 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.534 6.800 -10.815 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.247 8.173 -11.696 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.151 7.049 -12.535 1.00 0.00 H new ATOM 1404 N ARG A 90 -2.781 11.586 -11.827 1.00 0.00 N ATOM 1405 CA ARG A 90 -1.688 12.436 -11.376 1.00 0.00 C ATOM 1406 C ARG A 90 -2.238 13.514 -10.455 1.00 0.00 C ATOM 1407 O ARG A 90 -2.587 14.611 -10.899 1.00 0.00 O ATOM 1408 CB ARG A 90 -0.948 13.072 -12.562 1.00 0.00 C ATOM 1409 CG ARG A 90 0.336 13.787 -12.163 1.00 0.00 C ATOM 1410 CD ARG A 90 1.005 14.467 -13.351 1.00 0.00 C ATOM 1411 NE ARG A 90 1.384 13.523 -14.403 1.00 0.00 N ATOM 1412 CZ ARG A 90 2.626 13.389 -14.871 1.00 0.00 C ATOM 1413 NH1 ARG A 90 3.620 14.084 -14.335 1.00 0.00 N ATOM 1414 NH2 ARG A 90 2.872 12.551 -15.871 1.00 0.00 N ATOM 0 H ARG A 90 -3.631 12.089 -12.080 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.970 11.822 -10.833 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.712 12.297 -13.291 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.612 13.782 -13.056 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.114 14.531 -11.398 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.027 13.070 -11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.328 15.214 -13.766 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.893 14.998 -13.008 1.00 0.00 H new ATOM 0 HE ARG A 90 0.655 12.932 -14.802 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.436 14.724 -13.562 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.568 13.979 -14.696 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.111 12.010 -16.282 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.822 12.449 -16.229 1.00 0.00 H new ATOM 1428 N ARG A 91 -2.352 13.175 -9.178 1.00 0.00 N ATOM 1429 CA ARG A 91 -2.930 14.070 -8.187 1.00 0.00 C ATOM 1430 C ARG A 91 -2.615 13.573 -6.779 1.00 0.00 C ATOM 1431 O ARG A 91 -3.419 12.875 -6.161 1.00 0.00 O ATOM 1432 CB ARG A 91 -4.449 14.186 -8.400 1.00 0.00 C ATOM 1433 CG ARG A 91 -5.184 14.980 -7.331 1.00 0.00 C ATOM 1434 CD ARG A 91 -6.638 15.194 -7.711 1.00 0.00 C ATOM 1435 NE ARG A 91 -7.485 15.452 -6.546 1.00 0.00 N ATOM 1436 CZ ARG A 91 -7.873 16.661 -6.147 1.00 0.00 C ATOM 1437 NH1 ARG A 91 -7.402 17.753 -6.740 1.00 0.00 N ATOM 1438 NH2 ARG A 91 -8.716 16.777 -5.127 1.00 0.00 N ATOM 0 H ARG A 91 -2.048 12.277 -8.802 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.491 15.061 -8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.631 14.652 -9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.873 13.183 -8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.128 14.452 -6.379 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.696 15.944 -7.190 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.711 16.033 -8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.007 14.314 -8.238 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.800 14.649 -6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.737 17.669 -7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.706 18.675 -6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.062 15.942 -4.654 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.017 17.701 -4.817 1.00 0.00 H new ATOM 1452 N PHE A 92 -1.408 13.905 -6.314 1.00 0.00 N ATOM 1453 CA PHE A 92 -0.968 13.608 -4.944 1.00 0.00 C ATOM 1454 C PHE A 92 -0.751 12.104 -4.718 1.00 0.00 C ATOM 1455 O PHE A 92 -1.168 11.272 -5.526 1.00 0.00 O ATOM 1456 CB PHE A 92 -1.965 14.177 -3.923 1.00 0.00 C ATOM 1457 CG PHE A 92 -2.045 15.677 -3.941 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -1.004 16.444 -3.443 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -3.157 16.321 -4.459 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -1.069 17.824 -3.463 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -3.231 17.700 -4.479 1.00 0.00 C ATOM 1462 CZ PHE A 92 -2.184 18.452 -3.981 1.00 0.00 C ATOM 0 H PHE A 92 -0.706 14.388 -6.875 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.003 14.094 -4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.954 13.765 -4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.679 13.848 -2.924 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.131 15.957 -3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.976 15.737 -4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.249 18.410 -3.074 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.105 18.189 -4.883 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.238 19.531 -3.997 1.00 0.00 H new ATOM 1472 N PRO A 93 -0.041 11.741 -3.632 1.00 0.00 N ATOM 1473 CA PRO A 93 0.194 10.339 -3.266 1.00 0.00 C ATOM 1474 C PRO A 93 -1.092 9.623 -2.861 1.00 0.00 C ATOM 1475 O PRO A 93 -1.937 10.192 -2.170 1.00 0.00 O ATOM 1476 CB PRO A 93 1.147 10.424 -2.064 1.00 0.00 C ATOM 1477 CG PRO A 93 1.692 11.810 -2.091 1.00 0.00 C ATOM 1478 CD PRO A 93 0.614 12.662 -2.691 1.00 0.00 C ATOM 0 HA PRO A 93 0.595 9.770 -4.105 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.621 10.227 -1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.945 9.686 -2.142 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.945 12.150 -1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.605 11.860 -2.684 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.080 13.029 -1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.024 13.535 -3.198 1.00 0.00 H new ATOM 1486 N ALA A 94 -1.226 8.374 -3.286 1.00 0.00 N ATOM 1487 CA ALA A 94 -2.401 7.578 -2.969 1.00 0.00 C ATOM 1488 C ALA A 94 -2.079 6.092 -3.068 1.00 0.00 C ATOM 1489 O ALA A 94 -1.081 5.706 -3.680 1.00 0.00 O ATOM 1490 CB ALA A 94 -3.556 7.934 -3.897 1.00 0.00 C ATOM 0 H ALA A 94 -0.531 7.889 -3.854 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.701 7.801 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.426 7.328 -3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.803 8.989 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.266 7.740 -4.930 1.00 0.00 H new ATOM 1496 N THR A 95 -2.908 5.265 -2.453 1.00 0.00 N ATOM 1497 CA THR A 95 -2.736 3.825 -2.528 1.00 0.00 C ATOM 1498 C THR A 95 -3.835 3.211 -3.390 1.00 0.00 C ATOM 1499 O THR A 95 -5.023 3.358 -3.091 1.00 0.00 O ATOM 1500 CB THR A 95 -2.765 3.193 -1.124 1.00 0.00 C ATOM 1501 OG1 THR A 95 -1.846 3.886 -0.270 1.00 0.00 O ATOM 1502 CG2 THR A 95 -2.396 1.717 -1.184 1.00 0.00 C ATOM 0 H THR A 95 -3.707 5.567 -1.896 1.00 0.00 H new ATOM 0 HA THR A 95 -1.765 3.623 -2.979 1.00 0.00 H new ATOM 0 HB THR A 95 -3.776 3.278 -0.726 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.865 3.486 0.624 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.424 1.294 -0.180 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.107 1.190 -1.820 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.392 1.609 -1.595 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.439 2.546 -4.465 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.393 1.956 -5.393 1.00 0.00 C ATOM 1512 C LEU A 96 -4.680 0.505 -5.022 1.00 0.00 C ATOM 1513 O LEU A 96 -3.760 -0.275 -4.781 1.00 0.00 O ATOM 1514 CB LEU A 96 -3.852 2.035 -6.820 1.00 0.00 C ATOM 1515 CG LEU A 96 -3.536 3.447 -7.325 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -2.903 3.384 -8.705 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.794 4.301 -7.358 1.00 0.00 C ATOM 0 H LEU A 96 -2.461 2.401 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.325 2.518 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.945 1.434 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.580 1.581 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.828 3.908 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.684 4.394 -9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.978 2.809 -8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.592 2.904 -9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.547 5.299 -7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.526 3.845 -8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.212 4.372 -6.354 1.00 0.00 H new ATOM 1529 N VAL A 97 -5.960 0.159 -4.975 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.386 -1.183 -4.602 1.00 0.00 C ATOM 1531 C VAL A 97 -6.666 -2.027 -5.842 1.00 0.00 C ATOM 1532 O VAL A 97 -7.599 -1.747 -6.605 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.654 -1.145 -3.717 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -8.086 -2.551 -3.325 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.423 -0.285 -2.481 1.00 0.00 C ATOM 0 H VAL A 97 -6.727 0.795 -5.193 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.572 -1.633 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.459 -0.696 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.980 -2.497 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.304 -3.129 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.285 -3.036 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.327 -0.272 -1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.600 -0.699 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.176 0.732 -2.786 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.862 -3.057 -6.040 1.00 0.00 N ATOM 1546 CA PHE A 98 -6.019 -3.946 -7.176 1.00 0.00 C ATOM 1547 C PHE A 98 -6.536 -5.298 -6.715 1.00 0.00 C ATOM 1548 O PHE A 98 -5.915 -5.967 -5.893 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.690 -4.123 -7.917 1.00 0.00 C ATOM 1550 CG PHE A 98 -4.162 -2.858 -8.525 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.435 -1.958 -7.765 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.396 -2.564 -9.858 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.953 -0.790 -8.321 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.913 -1.399 -10.417 1.00 0.00 C ATOM 1555 CZ PHE A 98 -3.193 -0.511 -9.649 1.00 0.00 C ATOM 0 H PHE A 98 -5.087 -3.299 -5.422 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.741 -3.500 -7.860 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.948 -4.519 -7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.820 -4.866 -8.704 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.242 -2.172 -6.724 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.962 -3.254 -10.466 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.389 -0.096 -7.716 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.100 -1.183 -11.459 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.817 0.402 -10.087 1.00 0.00 H new ATOM 1565 N THR A 99 -7.686 -5.677 -7.230 1.00 0.00 N ATOM 1566 CA THR A 99 -8.281 -6.962 -6.917 1.00 0.00 C ATOM 1567 C THR A 99 -9.032 -7.493 -8.132 1.00 0.00 C ATOM 1568 O THR A 99 -9.598 -6.711 -8.898 1.00 0.00 O ATOM 1569 CB THR A 99 -9.229 -6.862 -5.702 1.00 0.00 C ATOM 1570 OG1 THR A 99 -9.545 -5.487 -5.445 1.00 0.00 O ATOM 1571 CG2 THR A 99 -8.592 -7.474 -4.462 1.00 0.00 C ATOM 0 H THR A 99 -8.234 -5.107 -7.875 1.00 0.00 H new ATOM 0 HA THR A 99 -7.480 -7.654 -6.657 1.00 0.00 H new ATOM 0 HB THR A 99 -10.140 -7.414 -5.934 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.148 -5.428 -4.675 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.280 -7.391 -3.621 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.371 -8.525 -4.647 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.668 -6.945 -4.229 1.00 0.00 H new ATOM 1579 N ASP A 100 -8.982 -8.813 -8.326 1.00 0.00 N ATOM 1580 CA ASP A 100 -9.620 -9.475 -9.475 1.00 0.00 C ATOM 1581 C ASP A 100 -8.842 -9.167 -10.749 1.00 0.00 C ATOM 1582 O ASP A 100 -9.280 -9.460 -11.862 1.00 0.00 O ATOM 1583 CB ASP A 100 -11.082 -9.024 -9.628 1.00 0.00 C ATOM 1584 CG ASP A 100 -11.892 -9.907 -10.562 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -12.130 -11.085 -10.224 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -12.317 -9.416 -11.629 1.00 0.00 O ATOM 0 H ASP A 100 -8.501 -9.454 -7.696 1.00 0.00 H new ATOM 0 HA ASP A 100 -9.612 -10.551 -9.299 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -11.556 -9.015 -8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -11.101 -8.000 -10.001 1.00 0.00 H new ATOM 1591 N GLY A 101 -7.665 -8.586 -10.571 1.00 0.00 N ATOM 1592 CA GLY A 101 -6.881 -8.131 -11.698 1.00 0.00 C ATOM 1593 C GLY A 101 -7.342 -6.775 -12.184 1.00 0.00 C ATOM 1594 O GLY A 101 -6.853 -6.263 -13.195 1.00 0.00 O ATOM 0 H GLY A 101 -7.238 -8.421 -9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.830 -8.079 -11.414 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.956 -8.854 -12.510 1.00 0.00 H new ATOM 1598 N LYS A 102 -8.301 -6.196 -11.470 1.00 0.00 N ATOM 1599 CA LYS A 102 -8.843 -4.898 -11.840 1.00 0.00 C ATOM 1600 C LYS A 102 -8.530 -3.851 -10.779 1.00 0.00 C ATOM 1601 O LYS A 102 -8.392 -4.169 -9.596 1.00 0.00 O ATOM 1602 CB LYS A 102 -10.356 -4.999 -12.036 1.00 0.00 C ATOM 1603 CG LYS A 102 -10.765 -5.986 -13.116 1.00 0.00 C ATOM 1604 CD LYS A 102 -12.272 -6.152 -13.175 1.00 0.00 C ATOM 1605 CE LYS A 102 -12.677 -7.153 -14.243 1.00 0.00 C ATOM 1606 NZ LYS A 102 -12.046 -8.483 -14.031 1.00 0.00 N ATOM 0 H LYS A 102 -8.717 -6.606 -10.634 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.375 -4.590 -12.775 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.817 -5.293 -11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.748 -4.014 -12.289 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.398 -5.642 -14.083 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.299 -6.952 -12.923 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.641 -6.483 -12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.738 -5.189 -13.381 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.761 -7.263 -14.244 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.395 -6.770 -15.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.639 -9.221 -14.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.104 -8.495 -14.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.953 -8.664 -13.011 1.00 0.00 H new ATOM 1620 N LEU A 103 -8.405 -2.604 -11.210 1.00 0.00 N ATOM 1621 CA LEU A 103 -8.245 -1.491 -10.289 1.00 0.00 C ATOM 1622 C LEU A 103 -9.611 -1.126 -9.729 1.00 0.00 C ATOM 1623 O LEU A 103 -10.471 -0.606 -10.441 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.602 -0.285 -10.990 1.00 0.00 C ATOM 1625 CG LEU A 103 -7.372 0.948 -10.105 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.529 0.590 -8.891 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.708 2.059 -10.909 1.00 0.00 C ATOM 0 H LEU A 103 -8.412 -2.338 -12.195 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.581 -1.783 -9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.644 -0.597 -11.405 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.234 0.005 -11.830 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.340 1.304 -9.753 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.378 1.478 -8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.041 -0.173 -8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.562 0.208 -9.219 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.551 2.927 -10.269 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.748 1.709 -11.289 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.350 2.336 -11.745 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.807 -1.426 -8.458 1.00 0.00 N ATOM 1640 CA ARG A 104 -11.123 -1.335 -7.850 1.00 0.00 C ATOM 1641 C ARG A 104 -11.330 0.007 -7.161 1.00 0.00 C ATOM 1642 O ARG A 104 -12.357 0.659 -7.350 1.00 0.00 O ATOM 1643 CB ARG A 104 -11.299 -2.475 -6.852 1.00 0.00 C ATOM 1644 CG ARG A 104 -11.087 -3.854 -7.462 1.00 0.00 C ATOM 1645 CD ARG A 104 -12.245 -4.263 -8.355 1.00 0.00 C ATOM 1646 NE ARG A 104 -13.456 -4.523 -7.578 1.00 0.00 N ATOM 1647 CZ ARG A 104 -14.685 -4.211 -7.978 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -14.880 -3.616 -9.148 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -15.723 -4.502 -7.205 1.00 0.00 N ATOM 0 H ARG A 104 -9.070 -1.736 -7.825 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.872 -1.417 -8.638 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.597 -2.339 -6.029 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.302 -2.424 -6.428 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.164 -3.857 -8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.966 -4.588 -6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.441 -3.475 -9.082 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.974 -5.156 -8.918 1.00 0.00 H new ATOM 0 HE ARG A 104 -13.351 -4.974 -6.669 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.084 -3.395 -9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.826 -3.380 -9.449 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.577 -4.964 -6.307 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -16.667 -4.264 -7.508 1.00 0.00 H new ATOM 1663 N GLY A 105 -10.353 0.425 -6.373 1.00 0.00 N ATOM 1664 CA GLY A 105 -10.489 1.667 -5.636 1.00 0.00 C ATOM 1665 C GLY A 105 -9.152 2.280 -5.298 1.00 0.00 C ATOM 1666 O GLY A 105 -8.105 1.721 -5.632 1.00 0.00 O ATOM 0 H GLY A 105 -9.472 -0.069 -6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -11.073 2.375 -6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.045 1.483 -4.717 1.00 0.00 H new ATOM 1670 N ALA A 106 -9.184 3.425 -4.633 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.973 4.130 -4.256 1.00 0.00 C ATOM 1672 C ALA A 106 -8.168 4.871 -2.941 1.00 0.00 C ATOM 1673 O ALA A 106 -9.181 5.547 -2.742 1.00 0.00 O ATOM 1674 CB ALA A 106 -7.568 5.105 -5.348 1.00 0.00 C ATOM 0 H ALA A 106 -10.045 3.887 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.178 3.396 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.658 5.626 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.388 4.559 -6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.367 5.830 -5.503 1.00 0.00 H new ATOM 1680 N LEU A 107 -7.196 4.744 -2.050 1.00 0.00 N ATOM 1681 CA LEU A 107 -7.228 5.448 -0.772 1.00 0.00 C ATOM 1682 C LEU A 107 -7.007 6.935 -1.001 1.00 0.00 C ATOM 1683 O LEU A 107 -5.888 7.371 -1.266 1.00 0.00 O ATOM 1684 CB LEU A 107 -6.167 4.904 0.198 1.00 0.00 C ATOM 1685 CG LEU A 107 -6.510 3.589 0.909 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -7.804 3.727 1.694 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -6.605 2.440 -0.080 1.00 0.00 C ATOM 0 H LEU A 107 -6.372 4.159 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.207 5.286 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.238 4.763 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.974 5.663 0.956 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.704 3.365 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.030 2.784 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.695 4.514 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.617 3.983 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.849 1.521 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.384 2.653 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.650 2.320 -0.591 1.00 0.00 H new ATOM 1699 N SER A 108 -8.088 7.696 -0.931 1.00 0.00 N ATOM 1700 CA SER A 108 -8.032 9.130 -1.159 1.00 0.00 C ATOM 1701 C SER A 108 -8.218 9.893 0.153 1.00 0.00 C ATOM 1702 O SER A 108 -9.251 9.765 0.812 1.00 0.00 O ATOM 1703 CB SER A 108 -9.115 9.528 -2.166 1.00 0.00 C ATOM 1704 OG SER A 108 -9.091 8.667 -3.296 1.00 0.00 O ATOM 0 H SER A 108 -9.020 7.341 -0.717 1.00 0.00 H new ATOM 0 HA SER A 108 -7.053 9.387 -1.563 1.00 0.00 H new ATOM 0 HB2 SER A 108 -10.095 9.484 -1.690 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.961 10.559 -2.485 1.00 0.00 H new ATOM 0 HG SER A 108 -9.791 8.936 -3.927 1.00 0.00 H new ATOM 1710 N GLY A 109 -7.204 10.659 0.537 1.00 0.00 N ATOM 1711 CA GLY A 109 -7.287 11.453 1.748 1.00 0.00 C ATOM 1712 C GLY A 109 -6.009 11.388 2.559 1.00 0.00 C ATOM 1713 O GLY A 109 -5.143 10.558 2.286 1.00 0.00 O ATOM 0 H GLY A 109 -6.323 10.744 0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -7.499 12.490 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.120 11.101 2.356 1.00 0.00 H new ATOM 1717 N ILE A 110 -5.888 12.259 3.557 1.00 0.00 N ATOM 1718 CA ILE A 110 -4.698 12.285 4.407 1.00 0.00 C ATOM 1719 C ILE A 110 -4.738 11.137 5.422 1.00 0.00 C ATOM 1720 O ILE A 110 -3.710 10.565 5.781 1.00 0.00 O ATOM 1721 CB ILE A 110 -4.549 13.649 5.137 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -3.262 13.683 5.967 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -5.760 13.939 6.019 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -2.001 13.547 5.138 1.00 0.00 C ATOM 0 H ILE A 110 -6.595 12.954 3.798 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.828 12.155 3.763 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.491 14.428 4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.222 14.620 6.522 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.292 12.878 6.702 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.626 14.900 6.516 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.659 13.971 5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.861 13.154 6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.130 13.580 5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.018 12.597 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.947 14.366 4.421 1.00 0.00 H new ATOM 1736 N HIS A 111 -5.942 10.806 5.867 1.00 0.00 N ATOM 1737 CA HIS A 111 -6.165 9.675 6.760 1.00 0.00 C ATOM 1738 C HIS A 111 -7.650 9.356 6.771 1.00 0.00 C ATOM 1739 O HIS A 111 -8.401 9.896 7.578 1.00 0.00 O ATOM 1740 CB HIS A 111 -5.673 9.978 8.182 1.00 0.00 C ATOM 1741 CG HIS A 111 -5.508 8.756 9.035 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -6.508 8.243 9.838 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -4.439 7.941 9.206 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -6.059 7.168 10.463 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -4.805 6.964 10.097 1.00 0.00 N ATOM 0 H HIS A 111 -6.792 11.313 5.620 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.598 8.817 6.399 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.718 10.501 8.123 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.378 10.655 8.665 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.476 8.042 8.728 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.621 6.559 11.155 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -4.207 6.205 10.424 1.00 0.00 H new ATOM 1754 N PRO A 112 -8.093 8.502 5.840 1.00 0.00 N ATOM 1755 CA PRO A 112 -9.514 8.235 5.627 1.00 0.00 C ATOM 1756 C PRO A 112 -10.151 7.390 6.729 1.00 0.00 C ATOM 1757 O PRO A 112 -10.553 7.915 7.771 1.00 0.00 O ATOM 1758 CB PRO A 112 -9.554 7.485 4.285 1.00 0.00 C ATOM 1759 CG PRO A 112 -8.165 7.556 3.733 1.00 0.00 C ATOM 1760 CD PRO A 112 -7.256 7.737 4.912 1.00 0.00 C ATOM 0 HA PRO A 112 -10.086 9.163 5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -9.866 6.450 4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -10.269 7.944 3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -7.917 6.647 3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -8.066 8.386 3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -6.947 6.782 5.337 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -6.347 8.277 4.645 1.00 0.00 H new ATOM 1768 N TRP A 113 -10.207 6.076 6.500 1.00 0.00 N ATOM 1769 CA TRP A 113 -10.970 5.160 7.343 1.00 0.00 C ATOM 1770 C TRP A 113 -12.437 5.592 7.386 1.00 0.00 C ATOM 1771 O TRP A 113 -12.874 6.351 6.520 1.00 0.00 O ATOM 1772 CB TRP A 113 -10.374 5.064 8.752 1.00 0.00 C ATOM 1773 CG TRP A 113 -10.190 3.638 9.183 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -11.146 2.797 9.679 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -8.975 2.877 9.134 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -10.602 1.563 9.938 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -9.273 1.587 9.611 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -7.665 3.158 8.732 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -8.316 0.584 9.694 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -6.714 2.159 8.817 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -7.044 0.886 9.292 1.00 0.00 C ATOM 0 H TRP A 113 -9.725 5.620 5.726 1.00 0.00 H new ATOM 0 HA TRP A 113 -10.914 4.162 6.907 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -9.413 5.578 8.776 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -11.027 5.576 9.459 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.179 3.064 9.843 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -11.106 0.759 10.313 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -7.402 4.138 8.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.567 -0.399 10.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.699 2.365 8.511 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.279 0.126 9.343 1.00 0.00 H new ATOM 1792 N ALA A 114 -13.191 5.085 8.364 1.00 0.00 N ATOM 1793 CA ALA A 114 -14.627 5.370 8.493 1.00 0.00 C ATOM 1794 C ALA A 114 -15.420 4.819 7.307 1.00 0.00 C ATOM 1795 O ALA A 114 -16.115 3.808 7.429 1.00 0.00 O ATOM 1796 CB ALA A 114 -14.876 6.866 8.664 1.00 0.00 C ATOM 0 H ALA A 114 -12.827 4.466 9.089 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.980 4.861 9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.947 7.048 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.368 7.219 9.562 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.491 7.401 7.796 1.00 0.00 H new ATOM 1802 N GLU A 115 -15.290 5.466 6.155 1.00 0.00 N ATOM 1803 CA GLU A 115 -15.972 5.028 4.945 1.00 0.00 C ATOM 1804 C GLU A 115 -15.281 3.799 4.362 1.00 0.00 C ATOM 1805 O GLU A 115 -15.773 3.192 3.414 1.00 0.00 O ATOM 1806 CB GLU A 115 -16.023 6.159 3.911 1.00 0.00 C ATOM 1807 CG GLU A 115 -14.654 6.683 3.491 1.00 0.00 C ATOM 1808 CD GLU A 115 -14.746 7.815 2.488 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -14.824 7.537 1.273 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -14.745 8.990 2.908 1.00 0.00 O ATOM 0 H GLU A 115 -14.715 6.300 6.034 1.00 0.00 H new ATOM 0 HA GLU A 115 -16.996 4.759 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -16.551 5.804 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -16.606 6.984 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -14.114 7.027 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.073 5.867 3.060 1.00 0.00 H new ATOM 1817 N LEU A 116 -14.138 3.436 4.945 1.00 0.00 N ATOM 1818 CA LEU A 116 -13.406 2.238 4.549 1.00 0.00 C ATOM 1819 C LEU A 116 -14.293 1.001 4.619 1.00 0.00 C ATOM 1820 O LEU A 116 -14.154 0.085 3.814 1.00 0.00 O ATOM 1821 CB LEU A 116 -12.176 2.052 5.442 1.00 0.00 C ATOM 1822 CG LEU A 116 -10.835 2.294 4.751 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -9.703 2.306 5.764 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -10.580 1.220 3.708 1.00 0.00 C ATOM 0 H LEU A 116 -13.698 3.962 5.700 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.084 2.367 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -12.257 2.729 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.185 1.037 5.840 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.875 3.267 4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.757 2.480 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.873 3.101 6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.665 1.346 6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.621 1.404 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.561 0.242 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.374 1.242 2.962 1.00 0.00 H new ATOM 1836 N LEU A 117 -15.211 0.986 5.577 1.00 0.00 N ATOM 1837 CA LEU A 117 -16.139 -0.127 5.729 1.00 0.00 C ATOM 1838 C LEU A 117 -17.111 -0.177 4.550 1.00 0.00 C ATOM 1839 O LEU A 117 -17.522 -1.251 4.112 1.00 0.00 O ATOM 1840 CB LEU A 117 -16.902 -0.020 7.057 1.00 0.00 C ATOM 1841 CG LEU A 117 -16.131 -0.453 8.314 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -15.669 -1.894 8.188 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -14.944 0.467 8.589 1.00 0.00 C ATOM 0 H LEU A 117 -15.333 1.733 6.261 1.00 0.00 H new ATOM 0 HA LEU A 117 -15.565 -1.054 5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -17.220 1.014 7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -17.806 -0.624 6.983 1.00 0.00 H new ATOM 0 HG LEU A 117 -16.813 -0.377 9.161 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -15.125 -2.182 9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -16.535 -2.544 8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -15.015 -1.992 7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -14.423 0.130 9.485 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -14.260 0.442 7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -15.301 1.486 8.738 1.00 0.00 H new ATOM 1855 N THR A 118 -17.455 0.993 4.026 1.00 0.00 N ATOM 1856 CA THR A 118 -18.311 1.086 2.854 1.00 0.00 C ATOM 1857 C THR A 118 -17.528 0.697 1.599 1.00 0.00 C ATOM 1858 O THR A 118 -18.015 -0.064 0.757 1.00 0.00 O ATOM 1859 CB THR A 118 -18.862 2.518 2.688 1.00 0.00 C ATOM 1860 OG1 THR A 118 -19.410 2.976 3.929 1.00 0.00 O ATOM 1861 CG2 THR A 118 -19.939 2.570 1.609 1.00 0.00 C ATOM 0 H THR A 118 -17.152 1.893 4.397 1.00 0.00 H new ATOM 0 HA THR A 118 -19.147 0.400 2.991 1.00 0.00 H new ATOM 0 HB THR A 118 -18.038 3.165 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 118 -19.756 3.886 3.818 1.00 0.00 H new ATOM 0 HG21 THR A 118 -20.309 3.591 1.513 1.00 0.00 H new ATOM 0 HG22 THR A 118 -19.517 2.247 0.658 1.00 0.00 H new ATOM 0 HG23 THR A 118 -20.762 1.910 1.884 1.00 0.00 H new ATOM 1869 N LEU A 119 -16.309 1.227 1.489 1.00 0.00 N ATOM 1870 CA LEU A 119 -15.431 0.937 0.362 1.00 0.00 C ATOM 1871 C LEU A 119 -15.121 -0.549 0.267 1.00 0.00 C ATOM 1872 O LEU A 119 -15.265 -1.148 -0.795 1.00 0.00 O ATOM 1873 CB LEU A 119 -14.127 1.720 0.506 1.00 0.00 C ATOM 1874 CG LEU A 119 -14.135 3.149 -0.038 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -14.099 3.145 -1.557 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -15.342 3.932 0.452 1.00 0.00 C ATOM 0 H LEU A 119 -15.907 1.865 2.176 1.00 0.00 H new ATOM 0 HA LEU A 119 -15.947 1.238 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.865 1.757 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.336 1.165 0.001 1.00 0.00 H new ATOM 0 HG LEU A 119 -13.239 3.643 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -14.105 4.171 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -13.193 2.643 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -14.972 2.617 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -15.311 4.942 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -16.255 3.436 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -15.327 3.980 1.541 1.00 0.00 H new ATOM 1888 N MET A 120 -14.712 -1.136 1.386 1.00 0.00 N ATOM 1889 CA MET A 120 -14.339 -2.551 1.425 1.00 0.00 C ATOM 1890 C MET A 120 -15.465 -3.425 0.882 1.00 0.00 C ATOM 1891 O MET A 120 -15.232 -4.311 0.065 1.00 0.00 O ATOM 1892 CB MET A 120 -13.988 -2.978 2.854 1.00 0.00 C ATOM 1893 CG MET A 120 -13.486 -4.411 2.961 1.00 0.00 C ATOM 1894 SD MET A 120 -13.009 -4.856 4.643 1.00 0.00 S ATOM 1895 CE MET A 120 -11.751 -3.624 4.982 1.00 0.00 C ATOM 0 H MET A 120 -14.629 -0.655 2.282 1.00 0.00 H new ATOM 0 HA MET A 120 -13.461 -2.683 0.793 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.226 -2.305 3.247 1.00 0.00 H new ATOM 0 HB3 MET A 120 -14.870 -2.864 3.484 1.00 0.00 H new ATOM 0 HG2 MET A 120 -14.265 -5.091 2.616 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.631 -4.543 2.298 1.00 0.00 H new ATOM 0 HE1 MET A 120 -11.100 -3.979 5.781 1.00 0.00 H new ATOM 0 HE2 MET A 120 -11.160 -3.451 4.083 1.00 0.00 H new ATOM 0 HE3 MET A 120 -12.227 -2.693 5.288 1.00 0.00 H new ATOM 1905 N ARG A 121 -16.684 -3.148 1.321 1.00 0.00 N ATOM 1906 CA ARG A 121 -17.850 -3.879 0.869 1.00 0.00 C ATOM 1907 C ARG A 121 -18.045 -3.732 -0.638 1.00 0.00 C ATOM 1908 O ARG A 121 -18.147 -4.720 -1.363 1.00 0.00 O ATOM 1909 CB ARG A 121 -19.081 -3.355 1.588 1.00 0.00 C ATOM 1910 CG ARG A 121 -19.217 -3.842 3.019 1.00 0.00 C ATOM 1911 CD ARG A 121 -20.532 -3.385 3.627 1.00 0.00 C ATOM 1912 NE ARG A 121 -20.690 -3.823 5.012 1.00 0.00 N ATOM 1913 CZ ARG A 121 -21.462 -4.843 5.383 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -22.044 -5.609 4.466 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -21.638 -5.106 6.670 1.00 0.00 N ATOM 0 H ARG A 121 -16.888 -2.413 1.998 1.00 0.00 H new ATOM 0 HA ARG A 121 -17.701 -4.935 1.094 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -19.053 -2.265 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.969 -3.651 1.029 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -19.160 -4.930 3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -18.386 -3.465 3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -20.590 -2.297 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -21.358 -3.772 3.030 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.180 -3.318 5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -21.900 -5.417 3.475 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.635 -6.389 4.754 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -21.182 -4.527 7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -22.229 -5.887 6.955 1.00 0.00 H new ATOM 1929 N SER A 122 -18.109 -2.486 -1.090 1.00 0.00 N ATOM 1930 CA SER A 122 -18.312 -2.167 -2.483 1.00 0.00 C ATOM 1931 C SER A 122 -17.211 -2.762 -3.375 1.00 0.00 C ATOM 1932 O SER A 122 -17.492 -3.277 -4.462 1.00 0.00 O ATOM 1933 CB SER A 122 -18.344 -0.650 -2.615 1.00 0.00 C ATOM 1934 OG SER A 122 -19.259 -0.074 -1.688 1.00 0.00 O ATOM 0 H SER A 122 -18.020 -1.667 -0.489 1.00 0.00 H new ATOM 0 HA SER A 122 -19.253 -2.603 -2.818 1.00 0.00 H new ATOM 0 HB2 SER A 122 -17.346 -0.246 -2.445 1.00 0.00 H new ATOM 0 HB3 SER A 122 -18.630 -0.376 -3.631 1.00 0.00 H new ATOM 0 HG SER A 122 -18.810 0.065 -0.828 1.00 0.00 H new ATOM 1940 N ILE A 123 -15.970 -2.699 -2.906 1.00 0.00 N ATOM 1941 CA ILE A 123 -14.831 -3.190 -3.666 1.00 0.00 C ATOM 1942 C ILE A 123 -14.785 -4.719 -3.681 1.00 0.00 C ATOM 1943 O ILE A 123 -14.675 -5.333 -4.746 1.00 0.00 O ATOM 1944 CB ILE A 123 -13.504 -2.632 -3.092 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -13.408 -1.124 -3.352 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -12.304 -3.360 -3.682 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -12.172 -0.479 -2.761 1.00 0.00 C ATOM 0 H ILE A 123 -15.728 -2.309 -1.995 1.00 0.00 H new ATOM 0 HA ILE A 123 -14.951 -2.840 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 123 -13.498 -2.801 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -13.419 -0.949 -4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -14.292 -0.637 -2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -11.386 -2.948 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -12.369 -4.421 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -12.297 -3.232 -4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -12.175 0.587 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -12.169 -0.621 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -11.281 -0.938 -3.190 1.00 0.00 H new ATOM 1959 N VAL A 124 -14.900 -5.326 -2.505 1.00 0.00 N ATOM 1960 CA VAL A 124 -14.783 -6.765 -2.367 1.00 0.00 C ATOM 1961 C VAL A 124 -15.797 -7.301 -1.363 1.00 0.00 C ATOM 1962 O VAL A 124 -15.524 -7.421 -0.168 1.00 0.00 O ATOM 1963 CB VAL A 124 -13.357 -7.208 -1.957 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -12.418 -7.177 -3.154 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -12.800 -6.333 -0.838 1.00 0.00 C ATOM 0 H VAL A 124 -15.076 -4.835 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 124 -14.991 -7.186 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 124 -13.428 -8.231 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -11.422 -7.492 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.788 -7.853 -3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.370 -6.164 -3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -11.798 -6.672 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -12.756 -5.297 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.448 -6.404 0.036 1.00 0.00 H new ATOM 1975 N ASP A 125 -16.988 -7.572 -1.860 1.00 0.00 N ATOM 1976 CA ASP A 125 -18.021 -8.230 -1.066 1.00 0.00 C ATOM 1977 C ASP A 125 -17.619 -9.677 -0.825 1.00 0.00 C ATOM 1978 O ASP A 125 -17.814 -10.216 0.266 1.00 0.00 O ATOM 1979 CB ASP A 125 -19.370 -8.155 -1.786 1.00 0.00 C ATOM 1980 CG ASP A 125 -20.481 -8.885 -1.058 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -20.721 -8.585 0.128 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -21.148 -9.736 -1.684 1.00 0.00 O ATOM 0 H ASP A 125 -17.270 -7.348 -2.814 1.00 0.00 H new ATOM 0 HA ASP A 125 -18.123 -7.724 -0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -19.651 -7.109 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -19.264 -8.575 -2.786 1.00 0.00 H new