USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 827 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 151 SER OG : rot -180:sc= 1.23 USER MOD Set 1.2: A 154 THR OG1 : rot 153:sc= -1.65! USER MOD Set 2.1: A 128 MET CE :methyl -110:sc= -8.5! (180deg=-11.6!) USER MOD Set 2.2: A 149 LYS NZ :NH3+ -178:sc= 0.632 (180deg=1.19) USER MOD Set 3.1: A 21 LYS NZ :NH3+ 174:sc= 0.996 (180deg=-0.0759) USER MOD Set 3.2: A 95 GLN : amide:sc= -1.47 K(o=-0.47,f=-8.6!) USER MOD Set 4.1: A 16 HIS : no HD1:sc= -6.68! C(o=-18!,f=-18!) USER MOD Set 4.2: A 19 HIS : no HD1:sc= -6.68! C(o=-18!,f=-30!) USER MOD Set 4.3: A 93 MET CE :methyl -117:sc= -0.0122 (180deg=-0.289) USER MOD Set 4.4: A 96 THR OG1 : rot -164:sc= -4.54! USER MOD Set 5.1: A 14 MET CE :methyl -123:sc= 0 (180deg=-0.158) USER MOD Set 5.2: A 102 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.16) USER MOD Single : A 12 THR OG1 : rot 25:sc= 0.139 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -170:sc= -1.87! USER MOD Single : A 101 ASN : amide:sc= -2.59! C(o=-2.6!,f=-3.1!) USER MOD Single : A 104 LYS NZ :NH3+ 145:sc= 0.0149 (180deg=-0.816) USER MOD Single : A 107 ASN : amide:sc=-0.00865 X(o=-0.0087,f=0) USER MOD Single : A 115 ASN : amide:sc= -7.55! C(o=-7.6!,f=-14!) USER MOD Single : A 116 LYS NZ :NH3+ -163:sc= 1.03 (180deg=0.852) USER MOD Single : A 117 MET CE :methyl -113:sc= -2.7! (180deg=-9.96!) USER MOD Single : A 119 LYS NZ :NH3+ 158:sc= 2.46 (180deg=2.06) USER MOD Single : A 123 ASN :FLIP amide:sc= -2.32! C(o=-6.7!,f=-2.3!) USER MOD Single : A 129 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 132 MET CE :methyl 179:sc= -0.928 (180deg=-0.965) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.46 K(o=-0.46,f=-1) USER MOD Single : A 145 THR OG1 : rot -9:sc= -1.29! USER MOD Single : A 148 CYS SG : rot -120:sc= -0.601 USER MOD Single : A 153 LYS NZ :NH3+ 169:sc= 0.872 (180deg=0.843) USER MOD Single : A 155 LYS NZ :NH3+ -166:sc= 1.03 (180deg=0.792) USER MOD Single : A 160 HIS : no HE2:sc= 0.696 K(o=0.7,f=-2.7!) USER MOD Single : A 164 MET CE :methyl -107:sc= -2.88! (180deg=-5.84!) USER MOD ----------------------------------------------------------------- ATOM 171 N THR A 12 -11.802 -3.585 -0.137 1.00 0.44 N ATOM 172 CA THR A 12 -11.567 -4.302 1.103 1.00 0.45 C ATOM 173 C THR A 12 -10.561 -3.559 1.977 1.00 0.41 C ATOM 174 O THR A 12 -9.550 -3.057 1.483 1.00 0.50 O ATOM 175 CB THR A 12 -11.045 -5.725 0.821 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.934 -6.398 -0.076 1.00 0.61 O ATOM 177 CG2 THR A 12 -10.923 -6.531 2.107 1.00 0.64 C ATOM 0 HA THR A 12 -12.518 -4.368 1.631 1.00 0.45 H new ATOM 0 HB THR A 12 -10.056 -5.639 0.371 1.00 0.54 H new ATOM 0 HG1 THR A 12 -12.419 -5.737 -0.613 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.553 -7.530 1.877 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.228 -6.034 2.784 1.00 0.64 H new ATOM 0 HG23 THR A 12 -11.901 -6.607 2.583 1.00 0.64 H new ATOM 185 N ILE A 13 -10.858 -3.475 3.266 1.00 0.40 N ATOM 186 CA ILE A 13 -9.938 -2.885 4.220 1.00 0.40 C ATOM 187 C ILE A 13 -9.002 -3.955 4.770 1.00 0.37 C ATOM 188 O ILE A 13 -9.433 -4.893 5.438 1.00 0.52 O ATOM 189 CB ILE A 13 -10.687 -2.201 5.388 1.00 0.52 C ATOM 190 CG1 ILE A 13 -11.551 -1.049 4.865 1.00 1.15 C ATOM 191 CG2 ILE A 13 -9.706 -1.701 6.443 1.00 1.26 C ATOM 192 CD1 ILE A 13 -10.758 0.053 4.192 1.00 1.30 C ATOM 0 H ILE A 13 -11.731 -3.810 3.673 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.361 -2.123 3.696 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.339 -2.939 5.856 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -12.278 -1.445 4.156 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -12.114 -0.623 5.696 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -10.256 -1.224 7.254 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -9.135 -2.542 6.837 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -9.024 -0.979 5.993 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -11.438 0.833 3.848 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -10.049 0.477 4.903 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -10.216 -0.357 3.340 1.00 1.30 H new ATOM 204 N MET A 14 -7.731 -3.830 4.453 1.00 0.26 N ATOM 205 CA MET A 14 -6.735 -4.760 4.918 1.00 0.28 C ATOM 206 C MET A 14 -5.615 -4.006 5.602 1.00 0.24 C ATOM 207 O MET A 14 -5.501 -2.794 5.456 1.00 0.29 O ATOM 208 CB MET A 14 -6.188 -5.574 3.750 1.00 0.36 C ATOM 209 CG MET A 14 -7.120 -6.674 3.276 1.00 0.49 C ATOM 210 SD MET A 14 -6.385 -7.699 1.985 1.00 0.79 S ATOM 211 CE MET A 14 -7.666 -8.922 1.748 1.00 0.69 C ATOM 0 H MET A 14 -7.364 -3.081 3.866 1.00 0.26 H new ATOM 0 HA MET A 14 -7.192 -5.445 5.633 1.00 0.28 H new ATOM 0 HB2 MET A 14 -5.982 -4.902 2.917 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.237 -6.019 4.044 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.393 -7.303 4.123 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.041 -6.228 2.900 1.00 0.49 H new ATOM 0 HE1 MET A 14 -7.253 -9.918 1.909 1.00 0.69 H new ATOM 0 HE2 MET A 14 -8.474 -8.745 2.458 1.00 0.69 H new ATOM 0 HE3 MET A 14 -8.054 -8.850 0.732 1.00 0.69 H new ATOM 221 N GLY A 15 -4.803 -4.713 6.358 1.00 0.27 N ATOM 222 CA GLY A 15 -3.722 -4.088 7.058 1.00 0.27 C ATOM 223 C GLY A 15 -3.535 -4.684 8.424 1.00 0.24 C ATOM 224 O GLY A 15 -4.119 -5.722 8.734 1.00 0.31 O ATOM 0 H GLY A 15 -4.878 -5.721 6.498 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -2.803 -4.198 6.483 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -3.915 -3.019 7.149 1.00 0.27 H new ATOM 228 N HIS A 16 -2.728 -4.037 9.238 1.00 0.20 N ATOM 229 CA HIS A 16 -2.454 -4.543 10.572 1.00 0.17 C ATOM 230 C HIS A 16 -3.471 -4.029 11.580 1.00 0.19 C ATOM 231 O HIS A 16 -4.133 -3.011 11.375 1.00 0.22 O ATOM 232 CB HIS A 16 -1.043 -4.161 11.022 1.00 0.17 C ATOM 233 CG HIS A 16 -0.602 -4.837 12.285 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.673 -6.204 12.442 1.00 0.16 N ATOM 235 CD2 HIS A 16 -0.106 -4.293 13.415 1.00 0.19 C ATOM 236 CE1 HIS A 16 -0.221 -6.448 13.661 1.00 0.19 C ATOM 237 NE2 HIS A 16 0.135 -5.323 14.282 1.00 0.22 N ATOM 0 H HIS A 16 -2.252 -3.166 9.005 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.530 -5.629 10.527 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.340 -4.407 10.226 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -0.998 -3.081 11.165 1.00 0.17 H new ATOM 0 HD2 HIS A 16 0.068 -3.243 13.600 1.00 0.19 H new ATOM 0 HE1 HIS A 16 -0.149 -7.433 14.098 1.00 0.19 H new ATOM 0 HE2 HIS A 16 0.515 -5.245 15.225 1.00 0.22 H new ATOM 245 N VAL A 17 -3.584 -4.763 12.667 1.00 0.20 N ATOM 246 CA VAL A 17 -4.408 -4.382 13.795 1.00 0.25 C ATOM 247 C VAL A 17 -3.766 -3.214 14.539 1.00 0.26 C ATOM 248 O VAL A 17 -2.555 -3.028 14.458 1.00 0.25 O ATOM 249 CB VAL A 17 -4.574 -5.589 14.731 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.216 -6.176 15.081 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.316 -5.238 15.993 1.00 0.36 C ATOM 0 H VAL A 17 -3.100 -5.652 12.794 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.390 -4.066 13.441 1.00 0.25 H new ATOM 0 HB VAL A 17 -5.168 -6.328 14.194 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.349 -7.030 15.745 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.714 -6.499 14.169 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.610 -5.420 15.580 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.407 -6.125 16.620 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.769 -4.466 16.534 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.310 -4.869 15.740 1.00 0.36 H new ATOM 261 N ASP A 18 -4.588 -2.416 15.225 1.00 0.31 N ATOM 262 CA ASP A 18 -4.119 -1.234 15.959 1.00 0.36 C ATOM 263 C ASP A 18 -3.786 -0.100 14.991 1.00 0.34 C ATOM 264 O ASP A 18 -3.768 1.073 15.361 1.00 0.41 O ATOM 265 CB ASP A 18 -2.914 -1.574 16.849 1.00 0.42 C ATOM 266 CG ASP A 18 -2.455 -0.403 17.702 1.00 0.55 C ATOM 267 OD1 ASP A 18 -2.988 -0.239 18.817 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.562 0.355 17.271 1.00 0.59 O ATOM 0 H ASP A 18 -5.595 -2.569 15.288 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.924 -0.899 16.613 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -3.174 -2.410 17.499 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -2.087 -1.904 16.220 1.00 0.42 H new ATOM 273 N HIS A 19 -3.532 -0.460 13.739 1.00 0.29 N ATOM 274 CA HIS A 19 -3.411 0.524 12.678 1.00 0.32 C ATOM 275 C HIS A 19 -4.812 0.925 12.234 1.00 0.43 C ATOM 276 O HIS A 19 -4.996 1.829 11.425 1.00 0.63 O ATOM 277 CB HIS A 19 -2.618 -0.019 11.485 1.00 0.29 C ATOM 278 CG HIS A 19 -1.253 -0.531 11.828 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.364 -0.889 10.844 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.675 -0.733 13.038 1.00 0.21 C ATOM 281 CE1 HIS A 19 0.722 -1.299 11.469 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.580 -1.224 12.793 1.00 0.24 N ATOM 0 H HIS A 19 -3.406 -1.426 13.437 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.866 1.387 13.059 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -3.188 -0.824 11.022 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.519 0.771 10.740 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -1.117 -0.544 14.005 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.614 -1.651 10.972 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.276 -1.484 13.492 1.00 0.24 H new ATOM 290 N GLY A 20 -5.804 0.220 12.761 1.00 0.42 N ATOM 291 CA GLY A 20 -7.175 0.621 12.561 1.00 0.54 C ATOM 292 C GLY A 20 -7.981 -0.340 11.718 1.00 0.57 C ATOM 293 O GLY A 20 -8.466 0.035 10.659 1.00 0.79 O ATOM 0 H GLY A 20 -5.680 -0.622 13.323 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.657 0.727 13.533 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -7.190 1.603 12.088 1.00 0.54 H new ATOM 297 N LYS A 21 -8.120 -1.580 12.171 1.00 0.61 N ATOM 298 CA LYS A 21 -9.024 -2.512 11.520 1.00 0.95 C ATOM 299 C LYS A 21 -10.460 -1.976 11.526 1.00 0.89 C ATOM 300 O LYS A 21 -10.954 -1.479 10.515 1.00 1.05 O ATOM 301 CB LYS A 21 -8.972 -3.860 12.221 1.00 1.36 C ATOM 302 CG LYS A 21 -8.889 -5.025 11.268 1.00 1.79 C ATOM 303 CD LYS A 21 -7.580 -5.009 10.506 1.00 2.30 C ATOM 304 CE LYS A 21 -7.558 -6.074 9.430 1.00 2.66 C ATOM 305 NZ LYS A 21 -7.693 -7.448 9.991 1.00 3.31 N ATOM 0 H LYS A 21 -7.623 -1.958 12.978 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.706 -2.631 10.484 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -8.109 -3.882 12.887 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -9.859 -3.972 12.844 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -8.981 -5.960 11.821 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -9.723 -4.986 10.567 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -7.432 -4.028 10.054 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -6.752 -5.170 11.197 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -8.368 -5.891 8.724 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -6.625 -6.003 8.870 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -7.775 -8.134 9.214 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -6.855 -7.673 10.564 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -8.544 -7.498 10.587 1.00 3.31 H new ATOM 319 N THR A 22 -11.119 -2.060 12.675 1.00 0.84 N ATOM 320 CA THR A 22 -12.494 -1.599 12.802 1.00 0.87 C ATOM 321 C THR A 22 -12.541 -0.099 13.087 1.00 0.79 C ATOM 322 O THR A 22 -13.462 0.596 12.660 1.00 0.79 O ATOM 323 CB THR A 22 -13.225 -2.355 13.929 1.00 1.02 C ATOM 324 OG1 THR A 22 -12.977 -3.763 13.812 1.00 1.21 O ATOM 325 CG2 THR A 22 -14.723 -2.096 13.873 1.00 1.18 C ATOM 0 H THR A 22 -10.722 -2.444 13.533 1.00 0.84 H new ATOM 0 HA THR A 22 -12.995 -1.798 11.855 1.00 0.87 H new ATOM 0 HB THR A 22 -12.845 -1.994 14.885 1.00 1.02 H new ATOM 0 HG1 THR A 22 -13.443 -4.238 14.532 1.00 1.21 H new ATOM 0 HG21 THR A 22 -15.217 -2.640 14.678 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.912 -1.029 13.987 1.00 1.18 H new ATOM 0 HG23 THR A 22 -15.115 -2.433 12.913 1.00 1.18 H new ATOM 333 N THR A 23 -11.537 0.395 13.802 1.00 0.75 N ATOM 334 CA THR A 23 -11.449 1.808 14.134 1.00 0.75 C ATOM 335 C THR A 23 -11.469 2.699 12.894 1.00 0.67 C ATOM 336 O THR A 23 -11.983 3.814 12.942 1.00 0.66 O ATOM 337 CB THR A 23 -10.185 2.098 14.948 1.00 0.82 C ATOM 338 OG1 THR A 23 -9.266 1.001 14.819 1.00 1.25 O ATOM 339 CG2 THR A 23 -10.521 2.328 16.414 1.00 1.17 C ATOM 0 H THR A 23 -10.768 -0.169 14.164 1.00 0.75 H new ATOM 0 HA THR A 23 -12.331 2.041 14.731 1.00 0.75 H new ATOM 0 HB THR A 23 -9.724 3.006 14.560 1.00 0.82 H new ATOM 0 HG1 THR A 23 -8.532 1.112 15.459 1.00 1.25 H new ATOM 0 HG21 THR A 23 -9.606 2.532 16.969 1.00 1.17 H new ATOM 0 HG22 THR A 23 -11.197 3.179 16.503 1.00 1.17 H new ATOM 0 HG23 THR A 23 -11.002 1.438 16.821 1.00 1.17 H new ATOM 347 N LEU A 24 -10.939 2.205 11.780 1.00 0.65 N ATOM 348 CA LEU A 24 -10.926 2.989 10.555 1.00 0.63 C ATOM 349 C LEU A 24 -12.317 3.040 9.975 1.00 0.64 C ATOM 350 O LEU A 24 -12.758 4.071 9.497 1.00 0.65 O ATOM 351 CB LEU A 24 -10.007 2.384 9.531 1.00 0.67 C ATOM 352 CG LEU A 24 -9.523 3.347 8.447 1.00 0.84 C ATOM 353 CD1 LEU A 24 -8.546 4.356 9.028 1.00 1.49 C ATOM 354 CD2 LEU A 24 -8.888 2.582 7.299 1.00 1.30 C ATOM 0 H LEU A 24 -10.519 1.279 11.702 1.00 0.65 H new ATOM 0 HA LEU A 24 -10.573 3.990 10.802 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.138 1.972 10.044 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.520 1.550 9.052 1.00 0.67 H new ATOM 0 HG LEU A 24 -10.384 3.891 8.059 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -8.212 5.033 8.242 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -9.038 4.928 9.815 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -7.686 3.832 9.445 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -8.550 3.284 6.537 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -8.037 2.010 7.669 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -9.621 1.902 6.866 1.00 1.30 H new ATOM 366 N LEU A 25 -13.005 1.914 10.039 1.00 0.68 N ATOM 367 CA LEU A 25 -14.351 1.808 9.499 1.00 0.75 C ATOM 368 C LEU A 25 -15.342 2.569 10.376 1.00 0.74 C ATOM 369 O LEU A 25 -16.494 2.763 10.003 1.00 0.82 O ATOM 370 CB LEU A 25 -14.761 0.341 9.364 1.00 0.85 C ATOM 371 CG LEU A 25 -15.364 -0.016 8.006 1.00 0.92 C ATOM 372 CD1 LEU A 25 -14.398 0.364 6.898 1.00 1.63 C ATOM 373 CD2 LEU A 25 -15.695 -1.497 7.935 1.00 1.69 C ATOM 0 H LEU A 25 -12.652 1.055 10.462 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.361 2.257 8.506 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -13.887 -0.287 9.538 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -15.484 0.104 10.144 1.00 0.85 H new ATOM 0 HG LEU A 25 -16.291 0.544 7.878 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -14.833 0.107 5.932 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -14.205 1.436 6.936 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -13.462 -0.178 7.030 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -16.123 -1.728 6.959 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -14.786 -2.080 8.080 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -16.414 -1.747 8.715 1.00 1.69 H new ATOM 385 N ASP A 26 -14.881 3.011 11.539 1.00 0.71 N ATOM 386 CA ASP A 26 -15.688 3.843 12.418 1.00 0.75 C ATOM 387 C ASP A 26 -15.356 5.288 12.145 1.00 0.70 C ATOM 388 O ASP A 26 -16.232 6.145 12.025 1.00 0.76 O ATOM 389 CB ASP A 26 -15.405 3.528 13.874 1.00 0.81 C ATOM 390 CG ASP A 26 -16.309 4.296 14.821 1.00 1.01 C ATOM 391 OD1 ASP A 26 -15.945 5.424 15.219 1.00 1.23 O ATOM 392 OD2 ASP A 26 -17.389 3.776 15.174 1.00 1.13 O ATOM 0 H ASP A 26 -13.948 2.805 11.895 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.743 3.647 12.226 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.532 2.459 14.042 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.365 3.764 14.098 1.00 0.81 H new ATOM 397 N ALA A 27 -14.064 5.527 12.009 1.00 0.63 N ATOM 398 CA ALA A 27 -13.545 6.851 11.721 1.00 0.61 C ATOM 399 C ALA A 27 -13.992 7.297 10.338 1.00 0.58 C ATOM 400 O ALA A 27 -14.262 8.473 10.097 1.00 0.62 O ATOM 401 CB ALA A 27 -12.030 6.822 11.804 1.00 0.61 C ATOM 0 H ALA A 27 -13.345 4.808 12.095 1.00 0.63 H new ATOM 0 HA ALA A 27 -13.931 7.562 12.452 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -11.635 7.815 11.588 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -11.726 6.520 12.806 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.639 6.110 11.077 1.00 0.61 H new ATOM 407 N ILE A 28 -14.080 6.331 9.442 1.00 0.56 N ATOM 408 CA ILE A 28 -14.461 6.573 8.068 1.00 0.57 C ATOM 409 C ILE A 28 -15.955 6.890 7.978 1.00 0.64 C ATOM 410 O ILE A 28 -16.380 7.692 7.147 1.00 0.71 O ATOM 411 CB ILE A 28 -14.082 5.346 7.201 1.00 0.61 C ATOM 412 CG1 ILE A 28 -13.817 5.746 5.756 1.00 0.84 C ATOM 413 CG2 ILE A 28 -15.152 4.261 7.262 1.00 1.02 C ATOM 414 CD1 ILE A 28 -13.118 4.655 4.982 1.00 0.85 C ATOM 0 H ILE A 28 -13.887 5.351 9.651 1.00 0.56 H new ATOM 0 HA ILE A 28 -13.921 7.439 7.686 1.00 0.57 H new ATOM 0 HB ILE A 28 -13.162 4.937 7.618 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -14.762 5.987 5.268 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -13.208 6.650 5.737 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -14.850 3.417 6.642 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.274 3.928 8.293 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -16.097 4.661 6.895 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -12.950 4.986 3.957 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.160 4.431 5.452 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -13.738 3.758 4.977 1.00 0.85 H new ATOM 1221 N ILE A 81 -10.492 -3.498 -5.526 1.00 0.63 N ATOM 1222 CA ILE A 81 -9.291 -2.829 -5.051 1.00 0.42 C ATOM 1223 C ILE A 81 -9.123 -3.028 -3.549 1.00 0.38 C ATOM 1224 O ILE A 81 -10.095 -2.953 -2.796 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.351 -1.320 -5.367 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.714 -1.098 -6.838 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -8.022 -0.661 -5.044 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -9.912 0.357 -7.203 1.00 0.71 C ATOM 0 HA ILE A 81 -8.436 -3.268 -5.565 1.00 0.42 H new ATOM 0 HB ILE A 81 -10.124 -0.865 -4.747 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -8.926 -1.517 -7.465 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -10.628 -1.648 -7.065 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -8.079 0.403 -5.272 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -7.798 -0.794 -3.986 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.234 -1.119 -5.642 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -10.167 0.436 -8.260 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.720 0.776 -6.603 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -8.992 0.909 -7.009 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.893 -3.278 -3.107 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.656 -3.530 -1.693 1.00 0.28 C ATOM 1242 C VAL A 82 -6.918 -2.383 -1.044 1.00 0.23 C ATOM 1243 O VAL A 82 -5.859 -1.973 -1.506 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.886 -4.846 -1.458 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -6.274 -4.887 -0.060 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -7.825 -6.020 -1.651 1.00 1.17 C ATOM 0 H VAL A 82 -7.061 -3.311 -3.696 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.638 -3.625 -1.230 1.00 0.28 H new ATOM 0 HB VAL A 82 -6.071 -4.905 -2.180 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.738 -5.826 0.075 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.581 -4.054 0.059 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -7.065 -4.810 0.686 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -7.283 -6.951 -1.485 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -8.648 -5.948 -0.940 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -8.221 -6.006 -2.667 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.495 -1.864 0.021 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.835 -0.858 0.815 1.00 0.19 C ATOM 1258 C ILE A 83 -5.979 -1.512 1.861 1.00 0.19 C ATOM 1259 O ILE A 83 -6.426 -2.400 2.582 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.823 0.116 1.482 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.400 1.014 0.404 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -7.136 0.935 2.574 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.160 2.213 0.931 1.00 0.37 C ATOM 0 H ILE A 83 -8.423 -2.126 0.354 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.215 -0.272 0.137 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.624 -0.442 1.966 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.588 1.365 -0.233 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -9.067 0.424 -0.225 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.858 1.614 3.028 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.740 0.265 3.337 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.320 1.511 2.138 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.538 2.801 0.094 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -9.996 1.874 1.543 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.494 2.829 1.535 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.748 -1.077 1.935 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.825 -1.615 2.890 1.00 0.23 C ATOM 1277 C LEU A 84 -3.473 -0.516 3.887 1.00 0.24 C ATOM 1278 O LEU A 84 -2.793 0.456 3.555 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.602 -2.191 2.156 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.443 -2.698 3.025 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.578 -1.536 3.445 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -1.949 -3.466 4.244 1.00 1.01 C ATOM 0 H LEU A 84 -4.363 -0.345 1.338 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.262 -2.441 3.451 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -2.941 -3.015 1.529 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.214 -1.421 1.489 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.847 -3.392 2.432 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.244 -1.899 4.062 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.177 -1.042 2.560 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.175 -0.826 4.017 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.100 -3.810 4.836 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.574 -2.812 4.852 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.534 -4.325 3.916 1.00 1.01 H new ATOM 1294 N VAL A 85 -3.997 -0.654 5.087 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.802 0.318 6.135 1.00 0.27 C ATOM 1296 C VAL A 85 -2.576 -0.024 6.965 1.00 0.25 C ATOM 1297 O VAL A 85 -2.556 -1.022 7.689 1.00 0.29 O ATOM 1298 CB VAL A 85 -5.037 0.367 7.050 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.890 1.470 8.074 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.306 0.546 6.230 1.00 0.40 C ATOM 0 H VAL A 85 -4.573 -1.450 5.361 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.654 1.292 5.669 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.114 -0.581 7.582 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.772 1.492 8.714 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -4.005 1.286 8.682 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.787 2.428 7.565 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.168 0.578 6.896 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.247 1.478 5.667 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.413 -0.289 5.538 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.544 0.788 6.827 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.354 0.646 7.635 1.00 0.20 C ATOM 1312 C VAL A 86 -0.099 1.907 8.433 1.00 0.17 C ATOM 1313 O VAL A 86 -0.040 3.010 7.888 1.00 0.22 O ATOM 1314 CB VAL A 86 0.889 0.327 6.787 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.944 -1.155 6.465 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.904 1.153 5.509 1.00 0.64 C ATOM 0 H VAL A 86 -1.510 1.557 6.157 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.531 -0.191 8.310 1.00 0.20 H new ATOM 0 HB VAL A 86 1.773 0.590 7.368 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.829 -1.364 5.864 1.00 0.49 H new ATOM 0 HG12 VAL A 86 0.990 -1.727 7.392 1.00 0.49 H new ATOM 0 HG13 VAL A 86 0.052 -1.440 5.907 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.793 0.908 4.928 1.00 0.64 H new ATOM 0 HG22 VAL A 86 0.014 0.930 4.921 1.00 0.64 H new ATOM 0 HG23 VAL A 86 0.916 2.213 5.761 1.00 0.64 H new ATOM 1326 N ALA A 87 0.013 1.741 9.734 1.00 0.17 N ATOM 1327 CA ALA A 87 0.374 2.837 10.605 1.00 0.18 C ATOM 1328 C ALA A 87 1.791 3.292 10.302 1.00 0.16 C ATOM 1329 O ALA A 87 2.699 2.470 10.225 1.00 0.24 O ATOM 1330 CB ALA A 87 0.257 2.398 12.052 1.00 0.28 C ATOM 0 H ALA A 87 -0.142 0.853 10.212 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.304 3.673 10.435 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.530 3.226 12.707 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.769 2.095 12.258 1.00 0.28 H new ATOM 0 HB3 ALA A 87 0.927 1.557 12.232 1.00 0.28 H new ATOM 1336 N ALA A 88 1.996 4.595 10.140 1.00 0.12 N ATOM 1337 CA ALA A 88 3.309 5.095 9.752 1.00 0.14 C ATOM 1338 C ALA A 88 4.265 5.014 10.912 1.00 0.16 C ATOM 1339 O ALA A 88 5.473 5.179 10.754 1.00 0.22 O ATOM 1340 CB ALA A 88 3.229 6.530 9.261 1.00 0.17 C ATOM 0 H ALA A 88 1.283 5.313 10.269 1.00 0.12 H new ATOM 0 HA ALA A 88 3.673 4.469 8.937 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.224 6.874 8.979 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.568 6.582 8.396 1.00 0.17 H new ATOM 0 HB3 ALA A 88 2.837 7.165 10.055 1.00 0.17 H new ATOM 1346 N ASP A 89 3.718 4.774 12.082 1.00 0.16 N ATOM 1347 CA ASP A 89 4.536 4.706 13.281 1.00 0.21 C ATOM 1348 C ASP A 89 4.902 3.257 13.609 1.00 0.22 C ATOM 1349 O ASP A 89 5.729 2.999 14.487 1.00 0.37 O ATOM 1350 CB ASP A 89 3.804 5.349 14.465 1.00 0.30 C ATOM 1351 CG ASP A 89 2.862 4.395 15.164 1.00 0.39 C ATOM 1352 OD1 ASP A 89 2.055 3.740 14.483 1.00 0.47 O ATOM 1353 OD2 ASP A 89 2.921 4.302 16.409 1.00 0.58 O ATOM 0 H ASP A 89 2.721 4.623 12.233 1.00 0.16 H new ATOM 0 HA ASP A 89 5.457 5.259 13.095 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.538 5.718 15.182 1.00 0.30 H new ATOM 0 HB3 ASP A 89 3.241 6.213 14.112 1.00 0.30 H new ATOM 1358 N ASP A 90 4.292 2.316 12.893 1.00 0.19 N ATOM 1359 CA ASP A 90 4.449 0.895 13.203 1.00 0.23 C ATOM 1360 C ASP A 90 4.885 0.115 11.966 1.00 0.25 C ATOM 1361 O ASP A 90 5.839 -0.666 12.016 1.00 0.42 O ATOM 1362 CB ASP A 90 3.135 0.346 13.748 1.00 0.26 C ATOM 1363 CG ASP A 90 3.318 -0.884 14.611 1.00 0.36 C ATOM 1364 OD1 ASP A 90 4.071 -0.811 15.606 1.00 0.56 O ATOM 1365 OD2 ASP A 90 2.684 -1.917 14.316 1.00 0.46 O ATOM 0 H ASP A 90 3.686 2.510 12.096 1.00 0.19 H new ATOM 0 HA ASP A 90 5.226 0.781 13.959 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.638 1.121 14.331 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.476 0.103 12.914 1.00 0.26 H new ATOM 1370 N GLY A 91 4.185 0.337 10.857 1.00 0.20 N ATOM 1371 CA GLY A 91 4.594 -0.211 9.576 1.00 0.21 C ATOM 1372 C GLY A 91 4.032 -1.592 9.301 1.00 0.22 C ATOM 1373 O GLY A 91 2.911 -1.897 9.689 1.00 0.37 O ATOM 0 H GLY A 91 3.331 0.894 10.824 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.277 0.466 8.783 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.682 -0.257 9.540 1.00 0.21 H new ATOM 1377 N VAL A 92 4.802 -2.423 8.610 1.00 0.26 N ATOM 1378 CA VAL A 92 4.357 -3.773 8.283 1.00 0.26 C ATOM 1379 C VAL A 92 4.593 -4.706 9.464 1.00 0.24 C ATOM 1380 O VAL A 92 5.609 -4.621 10.163 1.00 0.28 O ATOM 1381 CB VAL A 92 5.058 -4.324 7.019 1.00 0.32 C ATOM 1382 CG1 VAL A 92 6.517 -4.656 7.294 1.00 0.96 C ATOM 1383 CG2 VAL A 92 4.315 -5.538 6.484 1.00 1.03 C ATOM 0 H VAL A 92 5.733 -2.188 8.266 1.00 0.26 H new ATOM 0 HA VAL A 92 3.289 -3.723 8.070 1.00 0.26 H new ATOM 0 HB VAL A 92 5.038 -3.545 6.257 1.00 0.32 H new ATOM 0 HG11 VAL A 92 6.980 -5.041 6.385 1.00 0.96 H new ATOM 0 HG12 VAL A 92 7.041 -3.756 7.615 1.00 0.96 H new ATOM 0 HG13 VAL A 92 6.577 -5.410 8.079 1.00 0.96 H new ATOM 0 HG21 VAL A 92 4.822 -5.912 5.595 1.00 1.03 H new ATOM 0 HG22 VAL A 92 4.295 -6.317 7.246 1.00 1.03 H new ATOM 0 HG23 VAL A 92 3.294 -5.256 6.227 1.00 1.03 H new ATOM 1393 N MET A 93 3.628 -5.577 9.683 1.00 0.22 N ATOM 1394 CA MET A 93 3.604 -6.459 10.835 1.00 0.22 C ATOM 1395 C MET A 93 3.056 -7.825 10.404 1.00 0.22 C ATOM 1396 O MET A 93 2.649 -7.978 9.252 1.00 0.23 O ATOM 1397 CB MET A 93 2.727 -5.823 11.920 1.00 0.21 C ATOM 1398 CG MET A 93 3.213 -4.454 12.373 1.00 0.23 C ATOM 1399 SD MET A 93 4.657 -4.560 13.438 1.00 0.28 S ATOM 1400 CE MET A 93 3.874 -5.103 14.947 1.00 0.27 C ATOM 0 H MET A 93 2.829 -5.694 9.060 1.00 0.22 H new ATOM 0 HA MET A 93 4.606 -6.604 11.238 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.708 -5.731 11.544 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.690 -6.489 12.782 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.453 -3.849 11.499 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.410 -3.943 12.904 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.008 -4.346 15.719 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.810 -5.256 14.770 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.326 -6.039 15.275 1.00 0.27 H new ATOM 1410 N PRO A 94 3.042 -8.831 11.305 1.00 0.25 N ATOM 1411 CA PRO A 94 2.584 -10.194 10.985 1.00 0.30 C ATOM 1412 C PRO A 94 1.306 -10.266 10.138 1.00 0.28 C ATOM 1413 O PRO A 94 1.329 -10.834 9.045 1.00 0.31 O ATOM 1414 CB PRO A 94 2.343 -10.800 12.363 1.00 0.37 C ATOM 1415 CG PRO A 94 3.349 -10.141 13.236 1.00 0.58 C ATOM 1416 CD PRO A 94 3.511 -8.739 12.709 1.00 0.30 C ATOM 0 HA PRO A 94 3.319 -10.714 10.370 1.00 0.30 H new ATOM 0 HB2 PRO A 94 1.328 -10.607 12.710 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.475 -11.882 12.350 1.00 0.37 H new ATOM 0 HG2 PRO A 94 3.016 -10.130 14.274 1.00 0.58 H new ATOM 0 HG3 PRO A 94 4.297 -10.678 13.211 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.919 -8.026 13.282 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.548 -8.409 12.763 1.00 0.30 H new ATOM 1424 N GLN A 95 0.197 -9.701 10.623 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.069 -9.828 9.910 1.00 0.32 C ATOM 1426 C GLN A 95 -1.140 -8.846 8.744 1.00 0.31 C ATOM 1427 O GLN A 95 -1.946 -9.005 7.829 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.272 -9.638 10.844 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.741 -8.198 11.005 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.186 -8.103 11.474 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -5.111 -8.098 10.663 1.00 0.75 O ATOM 1432 NE2 GLN A 95 -4.401 -8.002 12.779 1.00 0.34 N ATOM 0 H GLN A 95 0.152 -9.163 11.488 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.114 -10.843 9.514 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.103 -10.235 10.468 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.015 -10.033 11.827 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.096 -7.687 11.720 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.637 -7.677 10.053 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -3.614 -8.009 13.428 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -5.354 -7.917 13.134 1.00 0.34 H new ATOM 1441 N THR A 96 -0.277 -7.843 8.782 1.00 0.26 N ATOM 1442 CA THR A 96 -0.205 -6.849 7.725 1.00 0.25 C ATOM 1443 C THR A 96 0.253 -7.511 6.446 1.00 0.25 C ATOM 1444 O THR A 96 -0.290 -7.270 5.368 1.00 0.31 O ATOM 1445 CB THR A 96 0.784 -5.746 8.090 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.889 -5.670 9.506 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.328 -4.408 7.547 1.00 0.28 C ATOM 0 H THR A 96 0.388 -7.696 9.541 1.00 0.26 H new ATOM 0 HA THR A 96 -1.194 -6.411 7.593 1.00 0.25 H new ATOM 0 HB THR A 96 1.753 -5.983 7.650 1.00 0.25 H new ATOM 0 HG1 THR A 96 1.310 -4.822 9.758 1.00 0.24 H new ATOM 0 HG21 THR A 96 1.050 -3.639 7.821 1.00 0.28 H new ATOM 0 HG22 THR A 96 0.251 -4.463 6.461 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.646 -4.157 7.968 1.00 0.28 H new ATOM 1455 N VAL A 97 1.253 -8.369 6.592 1.00 0.25 N ATOM 1456 CA VAL A 97 1.793 -9.103 5.479 1.00 0.31 C ATOM 1457 C VAL A 97 0.750 -9.983 4.823 1.00 0.23 C ATOM 1458 O VAL A 97 0.656 -10.036 3.605 1.00 0.24 O ATOM 1459 CB VAL A 97 2.934 -10.023 5.894 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.524 -10.628 4.658 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.984 -9.286 6.682 1.00 1.38 C ATOM 0 H VAL A 97 1.704 -8.568 7.485 1.00 0.25 H new ATOM 0 HA VAL A 97 2.149 -8.340 4.786 1.00 0.31 H new ATOM 0 HB VAL A 97 2.545 -10.805 6.546 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.344 -11.291 4.933 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.759 -11.197 4.130 1.00 1.02 H new ATOM 0 HG13 VAL A 97 3.900 -9.837 4.009 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.781 -9.976 6.960 1.00 1.38 H new ATOM 0 HG22 VAL A 97 4.396 -8.481 6.074 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.536 -8.868 7.583 1.00 1.38 H new ATOM 1471 N GLU A 98 -0.005 -10.695 5.642 1.00 0.24 N ATOM 1472 CA GLU A 98 -0.986 -11.652 5.140 1.00 0.29 C ATOM 1473 C GLU A 98 -1.987 -10.963 4.222 1.00 0.31 C ATOM 1474 O GLU A 98 -2.481 -11.556 3.266 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.717 -12.325 6.300 1.00 0.39 C ATOM 1476 CG GLU A 98 -0.786 -12.858 7.376 1.00 0.92 C ATOM 1477 CD GLU A 98 -1.466 -13.844 8.302 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -2.289 -13.421 9.140 1.00 2.35 O ATOM 1479 OE2 GLU A 98 -1.176 -15.055 8.187 1.00 1.97 O ATOM 0 H GLU A 98 0.040 -10.631 6.659 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.456 -12.414 4.568 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.406 -11.609 6.749 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.319 -13.147 5.912 1.00 0.39 H new ATOM 0 HG2 GLU A 98 0.070 -13.340 6.904 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -0.399 -12.024 7.961 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.261 -9.698 4.508 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.134 -8.903 3.666 1.00 0.35 C ATOM 1488 C ALA A 99 -2.435 -8.533 2.359 1.00 0.34 C ATOM 1489 O ALA A 99 -3.073 -8.406 1.316 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.588 -7.657 4.404 1.00 0.39 C ATOM 0 H ALA A 99 -1.889 -9.203 5.318 1.00 0.31 H new ATOM 0 HA ALA A 99 -4.014 -9.499 3.422 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.243 -7.070 3.759 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.129 -7.945 5.305 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.719 -7.060 4.678 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.113 -8.397 2.414 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.330 -8.070 1.242 1.00 0.29 C ATOM 1498 C ILE A 100 -0.181 -9.318 0.390 1.00 0.29 C ATOM 1499 O ILE A 100 -0.364 -9.300 -0.826 1.00 0.34 O ATOM 1500 CB ILE A 100 1.063 -7.573 1.672 1.00 0.32 C ATOM 1501 CG1 ILE A 100 0.942 -6.262 2.448 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.973 -7.421 0.472 1.00 0.36 C ATOM 1503 CD1 ILE A 100 2.236 -5.820 3.098 1.00 0.41 C ATOM 0 H ILE A 100 -0.565 -8.510 3.267 1.00 0.28 H new ATOM 0 HA ILE A 100 -0.829 -7.286 0.671 1.00 0.29 H new ATOM 0 HB ILE A 100 1.510 -8.316 2.332 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.599 -5.479 1.771 1.00 0.35 H new ATOM 0 HG13 ILE A 100 0.178 -6.374 3.218 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.951 -7.069 0.799 1.00 0.36 H new ATOM 0 HG22 ILE A 100 2.082 -8.384 -0.026 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.542 -6.700 -0.223 1.00 0.36 H new ATOM 0 HD11 ILE A 100 2.074 -4.883 3.631 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.570 -6.584 3.800 1.00 0.41 H new ATOM 0 HD13 ILE A 100 2.997 -5.675 2.331 1.00 0.41 H new ATOM 1515 N ASN A 101 0.121 -10.407 1.072 1.00 0.29 N ATOM 1516 CA ASN A 101 0.288 -11.707 0.461 1.00 0.34 C ATOM 1517 C ASN A 101 -1.011 -12.185 -0.166 1.00 0.36 C ATOM 1518 O ASN A 101 -1.002 -12.865 -1.181 1.00 0.43 O ATOM 1519 CB ASN A 101 0.797 -12.691 1.519 1.00 0.44 C ATOM 1520 CG ASN A 101 2.301 -12.679 1.621 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.998 -12.437 0.638 1.00 0.67 O ATOM 1522 ND2 ASN A 101 2.815 -12.933 2.807 1.00 0.64 N ATOM 0 H ASN A 101 0.259 -10.410 2.083 1.00 0.29 H new ATOM 0 HA ASN A 101 1.021 -11.640 -0.343 1.00 0.34 H new ATOM 0 HB2 ASN A 101 0.365 -12.438 2.487 1.00 0.44 H new ATOM 0 HB3 ASN A 101 0.458 -13.697 1.272 1.00 0.44 H new ATOM 0 HD21 ASN A 101 3.827 -12.934 2.935 1.00 0.64 H new ATOM 0 HD22 ASN A 101 2.201 -13.129 3.598 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.127 -11.802 0.431 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.437 -12.082 -0.139 1.00 0.43 C ATOM 1531 C HIS A 102 -3.575 -11.368 -1.485 1.00 0.37 C ATOM 1532 O HIS A 102 -3.994 -11.957 -2.487 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.524 -11.607 0.837 1.00 0.61 C ATOM 1534 CG HIS A 102 -5.899 -12.123 0.544 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -6.763 -12.563 1.521 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -6.566 -12.245 -0.623 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -7.902 -12.933 0.965 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -7.810 -12.751 -0.339 1.00 1.91 N ATOM 0 H HIS A 102 -2.153 -11.294 1.315 1.00 0.35 H new ATOM 0 HA HIS A 102 -3.550 -13.154 -0.302 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.245 -11.910 1.846 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.550 -10.517 0.828 1.00 0.61 H new ATOM 0 HD2 HIS A 102 -6.189 -11.991 -1.603 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -8.764 -13.319 1.489 1.00 2.50 H new ATOM 0 HE2 HIS A 102 -8.541 -12.953 -1.021 1.00 1.91 H new ATOM 1547 N ALA A 103 -3.177 -10.108 -1.500 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.384 -9.248 -2.651 1.00 0.41 C ATOM 1549 C ALA A 103 -2.373 -9.503 -3.769 1.00 0.40 C ATOM 1550 O ALA A 103 -2.759 -9.711 -4.915 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.337 -7.795 -2.224 1.00 0.47 C ATOM 0 H ALA A 103 -2.704 -9.654 -0.719 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.368 -9.483 -3.056 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.493 -7.155 -3.093 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -4.120 -7.606 -1.489 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.365 -7.577 -1.783 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.083 -9.499 -3.446 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.049 -9.604 -4.473 1.00 0.49 C ATOM 1559 C LYS A 104 -0.062 -10.976 -5.108 1.00 0.54 C ATOM 1560 O LYS A 104 0.216 -11.125 -6.296 1.00 0.66 O ATOM 1561 CB LYS A 104 1.323 -9.322 -3.876 1.00 0.61 C ATOM 1562 CG LYS A 104 1.360 -8.052 -3.056 1.00 0.70 C ATOM 1563 CD LYS A 104 1.049 -6.812 -3.892 1.00 0.84 C ATOM 1564 CE LYS A 104 2.087 -6.583 -4.981 1.00 0.99 C ATOM 1565 NZ LYS A 104 1.884 -5.290 -5.697 1.00 1.66 N ATOM 0 H LYS A 104 -0.730 -9.425 -2.492 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.260 -8.862 -5.243 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.620 -10.162 -3.248 1.00 0.61 H new ATOM 0 HB3 LYS A 104 2.055 -9.250 -4.680 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.640 -8.128 -2.241 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.345 -7.944 -2.602 1.00 0.70 H new ATOM 0 HD2 LYS A 104 0.064 -6.919 -4.347 1.00 0.84 H new ATOM 0 HD3 LYS A 104 1.007 -5.938 -3.242 1.00 0.84 H new ATOM 0 HE2 LYS A 104 3.083 -6.598 -4.539 1.00 0.99 H new ATOM 0 HE3 LYS A 104 2.044 -7.403 -5.698 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 2.808 -4.887 -5.954 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 1.326 -5.454 -6.559 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 1.377 -4.626 -5.078 1.00 1.66 H new ATOM 1579 N ALA A 105 -0.383 -11.975 -4.305 1.00 0.51 N ATOM 1580 CA ALA A 105 -0.511 -13.340 -4.808 1.00 0.61 C ATOM 1581 C ALA A 105 -1.638 -13.438 -5.829 1.00 0.62 C ATOM 1582 O ALA A 105 -1.518 -14.153 -6.823 1.00 0.77 O ATOM 1583 CB ALA A 105 -0.736 -14.325 -3.676 1.00 0.65 C ATOM 0 H ALA A 105 -0.560 -11.872 -3.306 1.00 0.51 H new ATOM 0 HA ALA A 105 0.426 -13.599 -5.300 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -0.827 -15.332 -4.083 1.00 0.65 H new ATOM 0 HB2 ALA A 105 0.108 -14.287 -2.987 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -1.651 -14.065 -3.143 1.00 0.65 H new ATOM 1589 N ALA A 106 -2.733 -12.726 -5.574 1.00 0.54 N ATOM 1590 CA ALA A 106 -3.847 -12.687 -6.516 1.00 0.64 C ATOM 1591 C ALA A 106 -3.542 -11.761 -7.693 1.00 0.64 C ATOM 1592 O ALA A 106 -4.074 -11.942 -8.790 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.122 -12.253 -5.815 1.00 0.68 C ATOM 0 H ALA A 106 -2.872 -12.172 -4.729 1.00 0.54 H new ATOM 0 HA ALA A 106 -3.990 -13.694 -6.908 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -5.942 -12.230 -6.533 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -5.357 -12.958 -5.018 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -4.983 -11.259 -5.390 1.00 0.68 H new ATOM 1599 N ASN A 107 -2.709 -10.753 -7.418 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.165 -9.834 -8.424 1.00 0.65 C ATOM 1601 C ASN A 107 -3.141 -8.696 -8.649 1.00 0.60 C ATOM 1602 O ASN A 107 -3.478 -8.338 -9.778 1.00 0.85 O ATOM 1603 CB ASN A 107 -1.826 -10.539 -9.739 1.00 0.85 C ATOM 1604 CG ASN A 107 -0.827 -9.793 -10.573 1.00 1.04 C ATOM 1605 OD1 ASN A 107 0.382 -9.954 -10.409 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -1.309 -9.001 -11.492 1.00 1.41 N ATOM 0 H ASN A 107 -2.387 -10.548 -6.472 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.225 -9.435 -8.042 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -1.436 -11.533 -9.520 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -2.741 -10.676 -10.316 1.00 0.85 H new ATOM 0 HD21 ASN A 107 -0.676 -8.488 -12.106 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -2.318 -8.895 -11.596 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.601 -8.148 -7.543 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.538 -7.048 -7.552 1.00 0.42 C ATOM 1615 C VAL A 108 -3.869 -5.774 -7.040 1.00 0.37 C ATOM 1616 O VAL A 108 -3.088 -5.814 -6.083 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.778 -7.366 -6.681 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -5.416 -8.265 -5.510 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.396 -6.084 -6.171 1.00 1.35 C ATOM 0 H VAL A 108 -3.333 -8.456 -6.608 1.00 0.44 H new ATOM 0 HA VAL A 108 -4.863 -6.897 -8.581 1.00 0.42 H new ATOM 0 HB VAL A 108 -6.499 -7.894 -7.305 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -6.309 -8.469 -4.919 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -5.006 -9.203 -5.885 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -4.673 -7.768 -4.886 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.267 -6.318 -5.560 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -5.666 -5.542 -5.570 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.701 -5.466 -7.015 1.00 1.35 H new ATOM 1629 N PRO A 109 -4.148 -4.633 -7.697 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.652 -3.327 -7.265 1.00 0.33 C ATOM 1631 C PRO A 109 -4.160 -2.910 -5.887 1.00 0.28 C ATOM 1632 O PRO A 109 -5.308 -3.177 -5.503 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.176 -2.360 -8.328 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.511 -3.215 -9.502 1.00 0.47 C ATOM 1635 CD PRO A 109 -4.936 -4.537 -8.935 1.00 0.40 C ATOM 0 HA PRO A 109 -2.566 -3.340 -7.171 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -5.053 -1.820 -7.971 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.425 -1.613 -8.586 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.309 -2.769 -10.096 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -3.650 -3.330 -10.161 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -6.007 -4.565 -8.735 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -4.717 -5.358 -9.618 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.298 -2.224 -5.156 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.602 -1.839 -3.797 1.00 0.21 C ATOM 1645 C ILE A 110 -3.910 -0.343 -3.715 1.00 0.19 C ATOM 1646 O ILE A 110 -3.570 0.438 -4.611 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.395 -2.167 -2.875 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -2.022 -3.647 -2.965 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.657 -1.787 -1.428 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -3.052 -4.565 -2.356 1.00 0.60 C ATOM 0 H ILE A 110 -2.381 -1.924 -5.486 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.479 -2.397 -3.469 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.558 -1.566 -3.231 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -1.882 -3.915 -4.012 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -1.066 -3.804 -2.465 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.785 -2.035 -0.823 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.851 -0.716 -1.362 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.523 -2.336 -1.059 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.722 -5.599 -2.456 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -3.176 -4.324 -1.300 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -4.004 -4.437 -2.871 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.570 0.022 -2.640 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.727 1.402 -2.221 1.00 0.18 C ATOM 1664 C ILE A 111 -4.209 1.498 -0.802 1.00 0.16 C ATOM 1665 O ILE A 111 -4.958 1.362 0.164 1.00 0.18 O ATOM 1666 CB ILE A 111 -6.196 1.896 -2.269 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.691 1.965 -3.708 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.329 3.273 -1.614 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.973 3.004 -4.531 1.00 0.37 C ATOM 0 H ILE A 111 -5.024 -0.645 -2.016 1.00 0.18 H new ATOM 0 HA ILE A 111 -4.172 2.038 -2.911 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.806 1.182 -1.715 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -6.565 0.989 -4.176 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.759 2.184 -3.709 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.368 3.599 -1.660 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -6.013 3.213 -0.573 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.701 3.990 -2.143 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -6.371 3.003 -5.546 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -6.120 3.987 -4.084 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.908 2.774 -4.559 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.911 1.644 -0.671 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.318 1.754 0.627 1.00 0.18 C ATOM 1683 C VAL A 112 -2.715 3.058 1.235 1.00 0.20 C ATOM 1684 O VAL A 112 -2.900 4.058 0.549 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.793 1.656 0.594 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.217 1.775 1.976 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.363 0.355 -0.017 1.00 0.19 C ATOM 0 H VAL A 112 -2.253 1.688 -1.449 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.681 0.916 1.223 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.420 2.480 -0.014 1.00 0.19 H new ATOM 0 HG11 VAL A 112 0.869 1.702 1.925 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.496 2.737 2.405 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.605 0.972 2.602 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.726 0.302 -0.032 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.758 -0.472 0.573 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.744 0.288 -1.036 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.850 3.030 2.515 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.245 4.190 3.245 1.00 0.24 C ATOM 1699 C ALA A 113 -2.615 4.180 4.610 1.00 0.25 C ATOM 1700 O ALA A 113 -3.015 3.438 5.506 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.754 4.286 3.310 1.00 0.29 C ATOM 0 H ALA A 113 -2.690 2.202 3.089 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.890 5.081 2.728 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -5.038 5.177 3.870 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.158 4.349 2.300 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -5.154 3.402 3.807 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.590 4.990 4.725 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.872 5.148 5.955 1.00 0.27 C ATOM 1709 C ILE A 114 -1.747 5.891 6.948 1.00 0.30 C ATOM 1710 O ILE A 114 -2.445 6.814 6.570 1.00 0.50 O ATOM 1711 CB ILE A 114 0.444 5.919 5.704 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.471 5.010 5.022 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.000 6.486 6.991 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.329 4.923 3.518 1.00 0.59 C ATOM 0 H ILE A 114 -1.232 5.560 3.958 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.620 4.169 6.363 1.00 0.27 H new ATOM 0 HB ILE A 114 0.226 6.756 5.041 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.472 5.371 5.260 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.386 4.007 5.441 1.00 0.38 H new ATOM 0 HG21 ILE A 114 1.926 7.023 6.782 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.275 7.171 7.430 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.201 5.674 7.689 1.00 0.44 H new ATOM 0 HD11 ILE A 114 2.095 4.259 3.118 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.343 4.531 3.268 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.446 5.916 3.083 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.724 5.481 8.201 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.502 6.152 9.231 1.00 0.22 C ATOM 1728 C ASN A 115 -1.539 6.622 10.272 1.00 0.20 C ATOM 1729 O ASN A 115 -0.335 6.368 10.159 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.574 5.210 9.814 1.00 0.33 C ATOM 1731 CG ASN A 115 -3.151 4.456 11.059 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -2.014 4.055 11.206 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.075 4.271 11.978 1.00 0.56 N ATOM 0 H ASN A 115 -1.176 4.687 8.533 1.00 0.19 H new ATOM 0 HA ASN A 115 -3.045 7.002 8.819 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -4.464 5.795 10.046 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -3.858 4.488 9.048 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -3.844 3.780 12.841 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -5.022 4.619 11.827 1.00 0.56 H new ATOM 1740 N LYS A 116 -2.045 7.332 11.252 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.223 7.791 12.333 1.00 0.20 C ATOM 1742 C LYS A 116 -0.254 8.875 11.865 1.00 0.21 C ATOM 1743 O LYS A 116 0.845 9.017 12.396 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.504 6.593 12.969 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.441 5.735 13.803 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.705 4.696 14.629 1.00 0.40 C ATOM 1747 CE LYS A 116 -1.662 3.669 15.226 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.978 2.741 16.166 1.00 0.59 N ATOM 0 H LYS A 116 -3.026 7.602 11.318 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.849 8.253 13.097 1.00 0.20 H new ATOM 0 HB2 LYS A 116 -0.057 5.982 12.185 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.311 6.953 13.597 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -2.020 6.377 14.467 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -2.151 5.234 13.145 1.00 0.32 H new ATOM 0 HD2 LYS A 116 0.030 4.189 14.004 1.00 0.40 H new ATOM 0 HD3 LYS A 116 -0.156 5.190 15.430 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -2.466 4.186 15.750 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -2.123 3.095 14.422 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -1.574 1.903 16.322 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 -0.066 2.447 15.761 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -0.815 3.223 17.073 1.00 0.59 H new ATOM 1762 N MET A 117 -0.691 9.648 10.866 1.00 0.21 N ATOM 1763 CA MET A 117 -0.006 10.879 10.492 1.00 0.28 C ATOM 1764 C MET A 117 -0.278 11.924 11.551 1.00 0.29 C ATOM 1765 O MET A 117 0.365 12.971 11.623 1.00 0.37 O ATOM 1766 CB MET A 117 -0.493 11.370 9.134 1.00 0.38 C ATOM 1767 CG MET A 117 0.185 10.666 7.991 1.00 0.48 C ATOM 1768 SD MET A 117 1.872 11.215 7.777 1.00 0.77 S ATOM 1769 CE MET A 117 2.405 9.918 6.698 1.00 0.92 C ATOM 0 H MET A 117 -1.517 9.439 10.305 1.00 0.21 H new ATOM 0 HA MET A 117 1.066 10.693 10.419 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.570 11.220 9.062 1.00 0.38 H new ATOM 0 HB3 MET A 117 -0.315 12.442 9.053 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.173 9.591 8.169 1.00 0.48 H new ATOM 0 HG3 MET A 117 -0.374 10.844 7.072 1.00 0.48 H new ATOM 0 HE1 MET A 117 3.143 9.300 7.209 1.00 0.92 H new ATOM 0 HE2 MET A 117 1.549 9.304 6.417 1.00 0.92 H new ATOM 0 HE3 MET A 117 2.851 10.350 5.802 1.00 0.92 H new ATOM 1779 N ASP A 118 -1.277 11.609 12.354 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.631 12.386 13.527 1.00 0.34 C ATOM 1781 C ASP A 118 -0.601 12.190 14.630 1.00 0.33 C ATOM 1782 O ASP A 118 -0.507 12.991 15.559 1.00 0.47 O ATOM 1783 CB ASP A 118 -3.006 11.947 14.014 1.00 0.39 C ATOM 1784 CG ASP A 118 -3.147 10.441 14.038 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -3.443 9.853 12.972 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.972 9.835 15.113 1.00 0.76 O ATOM 0 H ASP A 118 -1.874 10.795 12.208 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.651 13.444 13.265 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -3.179 12.343 15.015 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.772 12.372 13.366 1.00 0.39 H new ATOM 1791 N LYS A 119 0.157 11.108 14.525 1.00 0.23 N ATOM 1792 CA LYS A 119 1.228 10.824 15.460 1.00 0.26 C ATOM 1793 C LYS A 119 2.532 11.451 14.990 1.00 0.28 C ATOM 1794 O LYS A 119 2.805 11.513 13.791 1.00 0.26 O ATOM 1795 CB LYS A 119 1.420 9.313 15.606 1.00 0.29 C ATOM 1796 CG LYS A 119 0.263 8.605 16.284 1.00 0.36 C ATOM 1797 CD LYS A 119 0.681 7.236 16.796 1.00 0.72 C ATOM 1798 CE LYS A 119 1.853 7.347 17.759 1.00 0.87 C ATOM 1799 NZ LYS A 119 2.288 6.025 18.284 1.00 1.17 N ATOM 0 H LYS A 119 0.045 10.407 13.792 1.00 0.23 H new ATOM 0 HA LYS A 119 0.954 11.251 16.425 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.568 8.879 14.617 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.330 9.127 16.176 1.00 0.29 H new ATOM 0 HG2 LYS A 119 -0.102 9.211 17.114 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.563 8.497 15.581 1.00 0.36 H new ATOM 0 HD2 LYS A 119 -0.161 6.759 17.297 1.00 0.72 H new ATOM 0 HD3 LYS A 119 0.956 6.598 15.956 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.691 7.826 17.252 1.00 0.87 H new ATOM 0 HE3 LYS A 119 1.574 7.991 18.593 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 3.272 6.090 18.616 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 1.673 5.746 19.075 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 2.223 5.313 17.529 1.00 1.17 H new ATOM 1813 N PRO A 120 3.357 11.929 15.935 1.00 0.38 N ATOM 1814 CA PRO A 120 4.683 12.476 15.629 1.00 0.45 C ATOM 1815 C PRO A 120 5.648 11.390 15.170 1.00 0.40 C ATOM 1816 O PRO A 120 6.687 11.668 14.573 1.00 0.45 O ATOM 1817 CB PRO A 120 5.145 13.062 16.964 1.00 0.57 C ATOM 1818 CG PRO A 120 4.373 12.329 18.003 1.00 0.58 C ATOM 1819 CD PRO A 120 3.050 11.995 17.378 1.00 0.48 C ATOM 0 HA PRO A 120 4.650 13.205 14.819 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.218 12.927 17.103 1.00 0.57 H new ATOM 0 HB3 PRO A 120 4.950 14.133 17.012 1.00 0.57 H new ATOM 0 HG2 PRO A 120 4.897 11.425 18.313 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.240 12.942 18.895 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.659 11.048 17.749 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.300 12.756 17.594 1.00 0.48 H new ATOM 1827 N GLU A 121 5.284 10.147 15.454 1.00 0.35 N ATOM 1828 CA GLU A 121 6.093 8.996 15.084 1.00 0.37 C ATOM 1829 C GLU A 121 5.789 8.549 13.658 1.00 0.30 C ATOM 1830 O GLU A 121 6.238 7.494 13.220 1.00 0.37 O ATOM 1831 CB GLU A 121 5.838 7.846 16.056 1.00 0.48 C ATOM 1832 CG GLU A 121 6.013 8.241 17.510 1.00 0.62 C ATOM 1833 CD GLU A 121 5.883 7.063 18.454 1.00 1.04 C ATOM 1834 OE1 GLU A 121 4.756 6.775 18.901 1.00 1.45 O ATOM 1835 OE2 GLU A 121 6.911 6.417 18.749 1.00 1.40 O ATOM 0 H GLU A 121 4.422 9.910 15.946 1.00 0.35 H new ATOM 0 HA GLU A 121 7.143 9.286 15.134 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.825 7.472 15.908 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.518 7.026 15.825 1.00 0.48 H new ATOM 0 HG2 GLU A 121 6.992 8.701 17.642 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.269 8.994 17.770 1.00 0.62 H new ATOM 1842 N ALA A 122 5.005 9.358 12.951 1.00 0.24 N ATOM 1843 CA ALA A 122 4.684 9.101 11.552 1.00 0.22 C ATOM 1844 C ALA A 122 5.951 8.999 10.719 1.00 0.21 C ATOM 1845 O ALA A 122 6.675 9.982 10.545 1.00 0.26 O ATOM 1846 CB ALA A 122 3.786 10.200 11.007 1.00 0.27 C ATOM 0 H ALA A 122 4.578 10.204 13.329 1.00 0.24 H new ATOM 0 HA ALA A 122 4.155 8.150 11.492 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.554 9.996 9.962 1.00 0.27 H new ATOM 0 HB2 ALA A 122 2.862 10.234 11.584 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.297 11.159 11.084 1.00 0.27 H new ATOM 1852 N ASN A 123 6.223 7.803 10.221 1.00 0.21 N ATOM 1853 CA ASN A 123 7.352 7.587 9.337 1.00 0.23 C ATOM 1854 C ASN A 123 6.870 6.884 8.086 1.00 0.23 C ATOM 1855 O ASN A 123 7.084 5.685 7.898 1.00 0.25 O ATOM 1856 CB ASN A 123 8.436 6.752 10.010 1.00 0.26 C ATOM 1857 CG ASN A 123 9.792 7.349 9.838 1.00 0.42 C ATOM 1858 OD1 ASN A 123 10.455 6.941 8.797 1.00 0.95 O flip ATOM 1859 ND2 ASN A 123 10.240 8.169 10.637 1.00 0.52 N flip ATOM 0 H ASN A 123 5.674 6.966 10.416 1.00 0.21 H new ATOM 0 HA ASN A 123 7.785 8.555 9.085 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.214 6.659 11.073 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.428 5.745 9.593 1.00 0.26 H new ATOM 0 HD21 ASN A 123 9.680 8.458 11.439 1.00 0.52 H new ATOM 0 HD22 ASN A 123 11.171 8.561 10.498 1.00 0.52 H new ATOM 1866 N PRO A 124 6.223 7.643 7.208 1.00 0.25 N ATOM 1867 CA PRO A 124 5.579 7.108 6.009 1.00 0.32 C ATOM 1868 C PRO A 124 6.555 6.487 5.043 1.00 0.33 C ATOM 1869 O PRO A 124 6.441 5.313 4.712 1.00 0.35 O ATOM 1870 CB PRO A 124 4.934 8.331 5.388 1.00 0.40 C ATOM 1871 CG PRO A 124 5.705 9.489 5.915 1.00 0.32 C ATOM 1872 CD PRO A 124 6.063 9.101 7.313 1.00 0.27 C ATOM 0 HA PRO A 124 4.881 6.307 6.252 1.00 0.32 H new ATOM 0 HB2 PRO A 124 4.979 8.290 4.300 1.00 0.40 H new ATOM 0 HB3 PRO A 124 3.881 8.402 5.661 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.596 9.677 5.316 1.00 0.32 H new ATOM 0 HG3 PRO A 124 5.110 10.402 5.897 1.00 0.32 H new ATOM 0 HD2 PRO A 124 6.980 9.587 7.647 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.282 9.373 8.022 1.00 0.27 H new ATOM 1880 N ASP A 125 7.510 7.292 4.613 1.00 0.37 N ATOM 1881 CA ASP A 125 8.582 6.851 3.724 1.00 0.44 C ATOM 1882 C ASP A 125 9.167 5.523 4.193 1.00 0.34 C ATOM 1883 O ASP A 125 9.607 4.705 3.392 1.00 0.33 O ATOM 1884 CB ASP A 125 9.682 7.910 3.698 1.00 0.61 C ATOM 1885 CG ASP A 125 10.735 7.659 2.635 1.00 0.99 C ATOM 1886 OD1 ASP A 125 11.724 6.955 2.923 1.00 1.44 O ATOM 1887 OD2 ASP A 125 10.597 8.207 1.518 1.00 1.13 O ATOM 0 H ASP A 125 7.568 8.277 4.870 1.00 0.37 H new ATOM 0 HA ASP A 125 8.170 6.713 2.724 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.231 8.888 3.528 1.00 0.61 H new ATOM 0 HB3 ASP A 125 10.164 7.947 4.675 1.00 0.61 H new ATOM 1892 N ARG A 126 9.117 5.292 5.500 1.00 0.31 N ATOM 1893 CA ARG A 126 9.726 4.099 6.068 1.00 0.31 C ATOM 1894 C ARG A 126 8.788 2.915 5.927 1.00 0.27 C ATOM 1895 O ARG A 126 9.141 1.896 5.335 1.00 0.30 O ATOM 1896 CB ARG A 126 10.077 4.303 7.542 1.00 0.35 C ATOM 1897 CG ARG A 126 10.942 3.194 8.114 1.00 0.51 C ATOM 1898 CD ARG A 126 10.560 2.851 9.541 1.00 1.24 C ATOM 1899 NE ARG A 126 9.437 1.913 9.591 1.00 1.92 N ATOM 1900 CZ ARG A 126 8.968 1.360 10.710 1.00 2.94 C ATOM 1901 NH1 ARG A 126 9.478 1.693 11.886 1.00 3.49 N ATOM 1902 NH2 ARG A 126 7.993 0.468 10.644 1.00 3.79 N ATOM 0 H ARG A 126 8.667 5.907 6.177 1.00 0.31 H new ATOM 0 HA ARG A 126 10.647 3.902 5.520 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.596 5.254 7.656 1.00 0.35 H new ATOM 0 HB3 ARG A 126 9.156 4.371 8.121 1.00 0.35 H new ATOM 0 HG2 ARG A 126 10.849 2.305 7.491 1.00 0.51 H new ATOM 0 HG3 ARG A 126 11.988 3.498 8.082 1.00 0.51 H new ATOM 0 HD2 ARG A 126 11.419 2.418 10.053 1.00 1.24 H new ATOM 0 HD3 ARG A 126 10.296 3.763 10.076 1.00 1.24 H new ATOM 0 HE ARG A 126 8.983 1.666 8.711 1.00 1.92 H new ATOM 0 HH11 ARG A 126 10.234 2.376 11.939 1.00 3.49 H new ATOM 0 HH12 ARG A 126 9.115 1.267 12.739 1.00 3.49 H new ATOM 0 HH21 ARG A 126 7.602 0.205 9.739 1.00 3.79 H new ATOM 0 HH22 ARG A 126 7.632 0.043 11.498 1.00 3.79 H new ATOM 1916 N VAL A 127 7.585 3.068 6.460 1.00 0.25 N ATOM 1917 CA VAL A 127 6.598 1.994 6.458 1.00 0.28 C ATOM 1918 C VAL A 127 6.149 1.652 5.037 1.00 0.28 C ATOM 1919 O VAL A 127 5.833 0.508 4.729 1.00 0.33 O ATOM 1920 CB VAL A 127 5.397 2.349 7.367 1.00 0.36 C ATOM 1921 CG1 VAL A 127 5.914 2.686 8.747 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.556 3.504 6.833 1.00 0.44 C ATOM 0 H VAL A 127 7.266 3.930 6.902 1.00 0.25 H new ATOM 0 HA VAL A 127 7.071 1.101 6.868 1.00 0.28 H new ATOM 0 HB VAL A 127 4.741 1.479 7.396 1.00 0.36 H new ATOM 0 HG11 VAL A 127 5.077 2.938 9.398 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.446 1.827 9.156 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.593 3.536 8.684 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.731 3.701 7.518 1.00 0.44 H new ATOM 0 HG22 VAL A 127 5.176 4.396 6.746 1.00 0.44 H new ATOM 0 HG23 VAL A 127 4.159 3.242 5.852 1.00 0.44 H new ATOM 1932 N MET A 128 6.179 2.655 4.180 1.00 0.27 N ATOM 1933 CA MET A 128 5.865 2.536 2.757 1.00 0.31 C ATOM 1934 C MET A 128 6.975 1.771 2.022 1.00 0.26 C ATOM 1935 O MET A 128 6.727 1.058 1.045 1.00 0.35 O ATOM 1936 CB MET A 128 5.720 3.972 2.239 1.00 0.52 C ATOM 1937 CG MET A 128 5.638 4.162 0.744 1.00 0.81 C ATOM 1938 SD MET A 128 5.672 5.927 0.330 1.00 0.67 S ATOM 1939 CE MET A 128 4.536 6.037 -1.052 1.00 0.46 C ATOM 0 H MET A 128 6.429 3.605 4.456 1.00 0.27 H new ATOM 0 HA MET A 128 4.948 1.971 2.587 1.00 0.31 H new ATOM 0 HB2 MET A 128 4.823 4.402 2.684 1.00 0.52 H new ATOM 0 HB3 MET A 128 6.567 4.551 2.607 1.00 0.52 H new ATOM 0 HG2 MET A 128 6.471 3.652 0.260 1.00 0.81 H new ATOM 0 HG3 MET A 128 4.722 3.710 0.363 1.00 0.81 H new ATOM 0 HE1 MET A 128 5.093 6.248 -1.965 1.00 0.46 H new ATOM 0 HE2 MET A 128 4.004 5.092 -1.161 1.00 0.46 H new ATOM 0 HE3 MET A 128 3.820 6.838 -0.871 1.00 0.46 H new ATOM 1949 N GLN A 129 8.200 1.904 2.503 1.00 0.24 N ATOM 1950 CA GLN A 129 9.310 1.138 1.938 1.00 0.27 C ATOM 1951 C GLN A 129 9.233 -0.334 2.341 1.00 0.30 C ATOM 1952 O GLN A 129 9.558 -1.211 1.544 1.00 0.33 O ATOM 1953 CB GLN A 129 10.663 1.723 2.334 1.00 0.32 C ATOM 1954 CG GLN A 129 11.106 2.872 1.445 1.00 0.42 C ATOM 1955 CD GLN A 129 12.524 3.322 1.735 1.00 0.54 C ATOM 1956 OE1 GLN A 129 12.938 3.200 2.988 1.00 1.17 O flip ATOM 1957 NE2 GLN A 129 13.239 3.782 0.841 1.00 1.31 N flip ATOM 0 H GLN A 129 8.454 2.524 3.272 1.00 0.24 H new ATOM 0 HA GLN A 129 9.218 1.205 0.854 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.613 2.070 3.366 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.416 0.935 2.299 1.00 0.32 H new ATOM 0 HG2 GLN A 129 11.032 2.568 0.401 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.427 3.714 1.581 1.00 0.42 H new ATOM 0 HE21 GLN A 129 12.880 3.858 -0.111 1.00 1.31 H new ATOM 0 HE22 GLN A 129 14.189 4.086 1.054 1.00 1.31 H new ATOM 1966 N GLU A 130 8.788 -0.602 3.572 1.00 0.37 N ATOM 1967 CA GLU A 130 8.582 -1.985 4.032 1.00 0.43 C ATOM 1968 C GLU A 130 7.508 -2.632 3.182 1.00 0.36 C ATOM 1969 O GLU A 130 7.480 -3.846 2.955 1.00 0.35 O ATOM 1970 CB GLU A 130 8.129 -2.017 5.488 1.00 0.61 C ATOM 1971 CG GLU A 130 8.834 -1.013 6.368 1.00 0.63 C ATOM 1972 CD GLU A 130 8.360 -1.071 7.807 1.00 1.04 C ATOM 1973 OE1 GLU A 130 8.868 -1.913 8.573 1.00 1.64 O ATOM 1974 OE2 GLU A 130 7.473 -0.278 8.177 1.00 1.63 O ATOM 0 H GLU A 130 8.564 0.112 4.266 1.00 0.37 H new ATOM 0 HA GLU A 130 9.527 -2.521 3.944 1.00 0.43 H new ATOM 0 HB2 GLU A 130 7.056 -1.831 5.529 1.00 0.61 H new ATOM 0 HB3 GLU A 130 8.295 -3.017 5.889 1.00 0.61 H new ATOM 0 HG2 GLU A 130 9.908 -1.196 6.335 1.00 0.63 H new ATOM 0 HG3 GLU A 130 8.669 -0.010 5.974 1.00 0.63 H new ATOM 1981 N LEU A 131 6.632 -1.778 2.711 1.00 0.36 N ATOM 1982 CA LEU A 131 5.543 -2.169 1.857 1.00 0.37 C ATOM 1983 C LEU A 131 6.093 -2.759 0.567 1.00 0.29 C ATOM 1984 O LEU A 131 5.593 -3.767 0.065 1.00 0.32 O ATOM 1985 CB LEU A 131 4.657 -0.944 1.621 1.00 0.49 C ATOM 1986 CG LEU A 131 3.895 -0.493 2.870 1.00 0.71 C ATOM 1987 CD1 LEU A 131 3.149 0.801 2.645 1.00 1.36 C ATOM 1988 CD2 LEU A 131 2.929 -1.562 3.295 1.00 1.18 C ATOM 0 H LEU A 131 6.658 -0.779 2.914 1.00 0.36 H new ATOM 0 HA LEU A 131 4.932 -2.944 2.319 1.00 0.37 H new ATOM 0 HB2 LEU A 131 5.276 -0.120 1.265 1.00 0.49 H new ATOM 0 HB3 LEU A 131 3.942 -1.170 0.830 1.00 0.49 H new ATOM 0 HG LEU A 131 4.631 -0.321 3.655 1.00 0.71 H new ATOM 0 HD11 LEU A 131 2.624 1.082 3.558 1.00 1.36 H new ATOM 0 HD12 LEU A 131 3.856 1.586 2.377 1.00 1.36 H new ATOM 0 HD13 LEU A 131 2.429 0.670 1.837 1.00 1.36 H new ATOM 0 HD21 LEU A 131 2.391 -1.233 4.184 1.00 1.18 H new ATOM 0 HD22 LEU A 131 2.219 -1.751 2.490 1.00 1.18 H new ATOM 0 HD23 LEU A 131 3.476 -2.478 3.519 1.00 1.18 H new ATOM 2000 N MET A 132 7.165 -2.164 0.058 1.00 0.25 N ATOM 2001 CA MET A 132 7.835 -2.719 -1.116 1.00 0.26 C ATOM 2002 C MET A 132 8.709 -3.909 -0.771 1.00 0.30 C ATOM 2003 O MET A 132 9.113 -4.658 -1.657 1.00 0.37 O ATOM 2004 CB MET A 132 8.702 -1.699 -1.808 1.00 0.32 C ATOM 2005 CG MET A 132 7.989 -0.417 -2.097 1.00 0.88 C ATOM 2006 SD MET A 132 9.130 0.915 -2.460 1.00 1.60 S ATOM 2007 CE MET A 132 10.127 0.208 -3.765 1.00 1.61 C ATOM 0 H MET A 132 7.585 -1.312 0.430 1.00 0.25 H new ATOM 0 HA MET A 132 7.030 -3.035 -1.780 1.00 0.26 H new ATOM 0 HB2 MET A 132 9.573 -1.491 -1.186 1.00 0.32 H new ATOM 0 HB3 MET A 132 9.071 -2.120 -2.743 1.00 0.32 H new ATOM 0 HG2 MET A 132 7.316 -0.559 -2.942 1.00 0.88 H new ATOM 0 HG3 MET A 132 7.372 -0.144 -1.241 1.00 0.88 H new ATOM 0 HE1 MET A 132 10.865 0.939 -4.095 1.00 1.61 H new ATOM 0 HE2 MET A 132 10.637 -0.680 -3.392 1.00 1.61 H new ATOM 0 HE3 MET A 132 9.487 -0.066 -4.604 1.00 1.61 H new ATOM 2017 N GLU A 133 9.013 -4.083 0.506 1.00 0.32 N ATOM 2018 CA GLU A 133 9.764 -5.243 0.940 1.00 0.40 C ATOM 2019 C GLU A 133 8.904 -6.468 0.721 1.00 0.38 C ATOM 2020 O GLU A 133 9.396 -7.590 0.602 1.00 0.45 O ATOM 2021 CB GLU A 133 10.154 -5.112 2.410 1.00 0.54 C ATOM 2022 CG GLU A 133 11.005 -3.891 2.702 1.00 0.79 C ATOM 2023 CD GLU A 133 12.394 -3.984 2.109 1.00 1.07 C ATOM 2024 OE1 GLU A 133 12.564 -3.652 0.919 1.00 1.67 O ATOM 2025 OE2 GLU A 133 13.324 -4.392 2.835 1.00 1.53 O ATOM 0 H GLU A 133 8.752 -3.439 1.253 1.00 0.32 H new ATOM 0 HA GLU A 133 10.686 -5.328 0.365 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.249 -5.068 3.016 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.698 -6.006 2.715 1.00 0.54 H new ATOM 0 HG2 GLU A 133 10.507 -3.005 2.309 1.00 0.79 H new ATOM 0 HG3 GLU A 133 11.084 -3.760 3.781 1.00 0.79 H new ATOM 2032 N TYR A 134 7.601 -6.231 0.658 1.00 0.35 N ATOM 2033 CA TYR A 134 6.660 -7.264 0.294 1.00 0.40 C ATOM 2034 C TYR A 134 6.166 -7.062 -1.136 1.00 0.41 C ATOM 2035 O TYR A 134 5.088 -7.515 -1.522 1.00 0.50 O ATOM 2036 CB TYR A 134 5.540 -7.311 1.309 1.00 0.46 C ATOM 2037 CG TYR A 134 6.033 -7.807 2.648 1.00 0.55 C ATOM 2038 CD1 TYR A 134 6.256 -9.156 2.876 1.00 0.98 C ATOM 2039 CD2 TYR A 134 6.229 -6.923 3.696 1.00 0.88 C ATOM 2040 CE1 TYR A 134 6.664 -9.612 4.115 1.00 1.08 C ATOM 2041 CE2 TYR A 134 6.630 -7.367 4.941 1.00 0.95 C ATOM 2042 CZ TYR A 134 7.031 -8.720 5.075 1.00 0.80 C ATOM 2043 OH TYR A 134 7.243 -9.165 6.386 1.00 0.95 O ATOM 0 H TYR A 134 7.177 -5.325 0.857 1.00 0.35 H new ATOM 0 HA TYR A 134 7.151 -8.237 0.310 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.108 -6.317 1.424 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.746 -7.964 0.947 1.00 0.46 H new ATOM 0 HD1 TYR A 134 6.108 -9.862 2.072 1.00 0.98 H new ATOM 0 HD2 TYR A 134 6.065 -5.867 3.537 1.00 0.88 H new ATOM 0 HE1 TYR A 134 6.692 -10.672 4.321 1.00 1.08 H new ATOM 0 HE2 TYR A 134 6.638 -6.700 5.791 1.00 0.95 H new ATOM 0 HH TYR A 134 7.500 -8.407 6.951 1.00 0.95 H new ATOM 2053 N ASN A 135 6.990 -6.344 -1.900 1.00 0.36 N ATOM 2054 CA ASN A 135 6.879 -6.231 -3.351 1.00 0.43 C ATOM 2055 C ASN A 135 5.615 -5.484 -3.789 1.00 0.48 C ATOM 2056 O ASN A 135 5.072 -5.724 -4.867 1.00 0.64 O ATOM 2057 CB ASN A 135 6.944 -7.627 -3.980 1.00 0.58 C ATOM 2058 CG ASN A 135 7.060 -7.624 -5.488 1.00 0.71 C ATOM 2059 OD1 ASN A 135 7.613 -6.701 -6.091 1.00 0.89 O ATOM 2060 ND2 ASN A 135 6.555 -8.672 -6.104 1.00 1.10 N ATOM 0 H ASN A 135 7.771 -5.813 -1.516 1.00 0.36 H new ATOM 0 HA ASN A 135 7.720 -5.635 -3.705 1.00 0.43 H new ATOM 0 HB2 ASN A 135 7.797 -8.162 -3.562 1.00 0.58 H new ATOM 0 HB3 ASN A 135 6.050 -8.183 -3.697 1.00 0.58 H new ATOM 0 HD21 ASN A 135 6.613 -8.743 -7.120 1.00 1.10 H new ATOM 0 HD22 ASN A 135 6.106 -9.413 -5.565 1.00 1.10 H new ATOM 2067 N LEU A 136 5.138 -4.580 -2.957 1.00 0.44 N ATOM 2068 CA LEU A 136 4.077 -3.691 -3.359 1.00 0.54 C ATOM 2069 C LEU A 136 4.609 -2.260 -3.347 1.00 0.41 C ATOM 2070 O LEU A 136 5.032 -1.747 -2.312 1.00 0.47 O ATOM 2071 CB LEU A 136 2.859 -3.894 -2.450 1.00 0.78 C ATOM 2072 CG LEU A 136 2.835 -3.116 -1.139 1.00 0.64 C ATOM 2073 CD1 LEU A 136 1.912 -1.924 -1.265 1.00 1.36 C ATOM 2074 CD2 LEU A 136 2.400 -4.009 0.006 1.00 1.17 C ATOM 0 H LEU A 136 5.470 -4.445 -2.002 1.00 0.44 H new ATOM 0 HA LEU A 136 3.742 -3.908 -4.373 1.00 0.54 H new ATOM 0 HB2 LEU A 136 1.966 -3.630 -3.017 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.785 -4.956 -2.215 1.00 0.78 H new ATOM 0 HG LEU A 136 3.843 -2.760 -0.924 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.899 -1.373 -0.325 1.00 1.36 H new ATOM 0 HD12 LEU A 136 2.267 -1.272 -2.063 1.00 1.36 H new ATOM 0 HD13 LEU A 136 0.904 -2.267 -1.498 1.00 1.36 H new ATOM 0 HD21 LEU A 136 2.390 -3.434 0.932 1.00 1.17 H new ATOM 0 HD22 LEU A 136 1.400 -4.395 -0.193 1.00 1.17 H new ATOM 0 HD23 LEU A 136 3.097 -4.841 0.103 1.00 1.17 H new ATOM 2086 N VAL A 137 4.635 -1.628 -4.511 1.00 0.31 N ATOM 2087 CA VAL A 137 5.367 -0.376 -4.662 1.00 0.27 C ATOM 2088 C VAL A 137 4.449 0.809 -4.895 1.00 0.29 C ATOM 2089 O VAL A 137 3.477 0.723 -5.648 1.00 0.33 O ATOM 2090 CB VAL A 137 6.385 -0.450 -5.819 1.00 0.29 C ATOM 2091 CG1 VAL A 137 7.106 0.885 -5.994 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.378 -1.577 -5.589 1.00 0.41 C ATOM 0 H VAL A 137 4.165 -1.955 -5.355 1.00 0.31 H new ATOM 0 HA VAL A 137 5.894 -0.228 -3.719 1.00 0.27 H new ATOM 0 HB VAL A 137 5.840 -0.661 -6.739 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.819 0.809 -6.815 1.00 0.43 H new ATOM 0 HG12 VAL A 137 6.378 1.665 -6.216 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.637 1.135 -5.075 1.00 0.43 H new ATOM 0 HG21 VAL A 137 8.087 -1.612 -6.416 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.916 -1.403 -4.657 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.844 -2.525 -5.528 1.00 0.41 H new ATOM 2102 N PRO A 138 4.754 1.918 -4.211 1.00 0.34 N ATOM 2103 CA PRO A 138 4.142 3.211 -4.441 1.00 0.43 C ATOM 2104 C PRO A 138 4.071 3.538 -5.902 1.00 0.43 C ATOM 2105 O PRO A 138 5.073 3.484 -6.618 1.00 0.45 O ATOM 2106 CB PRO A 138 5.088 4.174 -3.746 1.00 0.53 C ATOM 2107 CG PRO A 138 5.672 3.385 -2.639 1.00 0.54 C ATOM 2108 CD PRO A 138 5.713 1.966 -3.110 1.00 0.39 C ATOM 0 HA PRO A 138 3.117 3.252 -4.073 1.00 0.43 H new ATOM 0 HB2 PRO A 138 5.859 4.534 -4.427 1.00 0.53 H new ATOM 0 HB3 PRO A 138 4.559 5.051 -3.373 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.672 3.742 -2.393 1.00 0.54 H new ATOM 0 HG3 PRO A 138 5.069 3.477 -1.736 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.713 1.687 -3.442 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.437 1.275 -2.313 1.00 0.39 H new ATOM 2116 N GLU A 139 2.893 3.889 -6.343 1.00 0.48 N ATOM 2117 CA GLU A 139 2.716 4.229 -7.745 1.00 0.56 C ATOM 2118 C GLU A 139 3.346 5.589 -7.999 1.00 0.56 C ATOM 2119 O GLU A 139 3.709 5.917 -9.126 1.00 0.64 O ATOM 2120 CB GLU A 139 1.243 4.171 -8.177 1.00 0.71 C ATOM 2121 CG GLU A 139 0.401 5.368 -7.770 1.00 1.35 C ATOM 2122 CD GLU A 139 0.379 6.459 -8.831 1.00 2.40 C ATOM 2123 OE1 GLU A 139 0.899 6.228 -9.942 1.00 3.08 O ATOM 2124 OE2 GLU A 139 -0.140 7.561 -8.548 1.00 2.78 O ATOM 0 H GLU A 139 2.051 3.949 -5.771 1.00 0.48 H new ATOM 0 HA GLU A 139 3.221 3.485 -8.361 1.00 0.56 H new ATOM 0 HB2 GLU A 139 1.203 4.071 -9.262 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.793 3.271 -7.757 1.00 0.71 H new ATOM 0 HG2 GLU A 139 -0.619 5.039 -7.572 1.00 1.35 H new ATOM 0 HG3 GLU A 139 0.789 5.780 -6.839 1.00 1.35 H new ATOM 2131 N GLU A 140 3.514 6.358 -6.922 1.00 0.54 N ATOM 2132 CA GLU A 140 4.295 7.587 -6.971 1.00 0.60 C ATOM 2133 C GLU A 140 5.728 7.296 -7.411 1.00 0.56 C ATOM 2134 O GLU A 140 6.389 8.152 -7.994 1.00 0.65 O ATOM 2135 CB GLU A 140 4.305 8.310 -5.609 1.00 0.67 C ATOM 2136 CG GLU A 140 4.312 7.395 -4.399 1.00 0.63 C ATOM 2137 CD GLU A 140 2.919 7.048 -3.922 1.00 1.12 C ATOM 2138 OE1 GLU A 140 2.336 6.080 -4.454 1.00 1.57 O ATOM 2139 OE2 GLU A 140 2.415 7.741 -3.010 1.00 1.27 O ATOM 0 H GLU A 140 3.118 6.148 -6.006 1.00 0.54 H new ATOM 0 HA GLU A 140 3.820 8.243 -7.701 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.182 8.955 -5.563 1.00 0.67 H new ATOM 0 HB3 GLU A 140 3.430 8.957 -5.552 1.00 0.67 H new ATOM 0 HG2 GLU A 140 4.846 6.477 -4.645 1.00 0.63 H new ATOM 0 HG3 GLU A 140 4.860 7.875 -3.588 1.00 0.63 H new ATOM 2146 N TRP A 141 6.202 6.079 -7.136 1.00 0.47 N ATOM 2147 CA TRP A 141 7.552 5.698 -7.494 1.00 0.49 C ATOM 2148 C TRP A 141 7.559 4.800 -8.725 1.00 0.51 C ATOM 2149 O TRP A 141 8.612 4.530 -9.306 1.00 0.66 O ATOM 2150 CB TRP A 141 8.205 4.988 -6.332 1.00 0.45 C ATOM 2151 CG TRP A 141 8.209 5.772 -5.053 1.00 0.46 C ATOM 2152 CD1 TRP A 141 7.915 7.094 -4.870 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.527 5.257 -3.773 1.00 0.44 C ATOM 2154 NE1 TRP A 141 8.018 7.416 -3.537 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.398 6.297 -2.842 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.903 4.004 -3.334 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.634 6.109 -1.482 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 9.139 3.811 -1.994 1.00 0.50 C ATOM 2159 CH2 TRP A 141 9.003 4.852 -1.077 1.00 0.52 C ATOM 0 H TRP A 141 5.666 5.349 -6.668 1.00 0.47 H new ATOM 0 HA TRP A 141 8.114 6.601 -7.731 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.690 4.042 -6.163 1.00 0.45 H new ATOM 0 HB3 TRP A 141 9.234 4.747 -6.600 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.642 7.783 -5.655 1.00 0.54 H new ATOM 0 HE1 TRP A 141 7.841 8.335 -3.132 1.00 0.55 H new ATOM 0 HE3 TRP A 141 9.010 3.188 -4.033 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.531 6.920 -0.776 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.436 2.833 -1.644 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.191 4.665 -0.030 1.00 0.52 H new ATOM 2170 N GLY A 142 6.381 4.325 -9.106 1.00 0.45 N ATOM 2171 CA GLY A 142 6.259 3.526 -10.309 1.00 0.50 C ATOM 2172 C GLY A 142 5.969 2.060 -10.032 1.00 0.45 C ATOM 2173 O GLY A 142 6.291 1.199 -10.853 1.00 0.53 O ATOM 0 H GLY A 142 5.507 4.479 -8.603 1.00 0.45 H new ATOM 0 HA2 GLY A 142 5.462 3.936 -10.929 1.00 0.50 H new ATOM 0 HA3 GLY A 142 7.182 3.604 -10.884 1.00 0.50 H new ATOM 2177 N GLY A 143 5.376 1.763 -8.877 1.00 0.39 N ATOM 2178 CA GLY A 143 5.002 0.398 -8.576 1.00 0.41 C ATOM 2179 C GLY A 143 3.601 0.084 -9.033 1.00 0.45 C ATOM 2180 O GLY A 143 3.289 0.213 -10.216 1.00 0.60 O ATOM 0 H GLY A 143 5.150 2.442 -8.150 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.702 -0.285 -9.058 1.00 0.41 H new ATOM 0 HA3 GLY A 143 5.080 0.229 -7.502 1.00 0.41 H new ATOM 2184 N ASP A 144 2.742 -0.296 -8.100 1.00 0.40 N ATOM 2185 CA ASP A 144 1.366 -0.629 -8.450 1.00 0.45 C ATOM 2186 C ASP A 144 0.414 -0.475 -7.262 1.00 0.33 C ATOM 2187 O ASP A 144 -0.329 -1.396 -6.883 1.00 0.35 O ATOM 2188 CB ASP A 144 1.295 -2.067 -8.997 1.00 0.64 C ATOM 2189 CG ASP A 144 1.629 -3.130 -7.950 1.00 1.33 C ATOM 2190 OD1 ASP A 144 2.730 -3.075 -7.350 1.00 1.91 O ATOM 2191 OD2 ASP A 144 0.794 -4.035 -7.722 1.00 1.91 O ATOM 0 H ASP A 144 2.966 -0.381 -7.109 1.00 0.40 H new ATOM 0 HA ASP A 144 1.046 0.074 -9.219 1.00 0.45 H new ATOM 0 HB2 ASP A 144 0.293 -2.252 -9.385 1.00 0.64 H new ATOM 0 HB3 ASP A 144 1.985 -2.164 -9.836 1.00 0.64 H new ATOM 2196 N THR A 145 0.365 0.727 -6.731 1.00 0.26 N ATOM 2197 CA THR A 145 -0.510 1.025 -5.621 1.00 0.24 C ATOM 2198 C THR A 145 -0.641 2.527 -5.427 1.00 0.27 C ATOM 2199 O THR A 145 0.363 3.231 -5.358 1.00 0.37 O ATOM 2200 CB THR A 145 0.012 0.410 -4.310 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.054 -1.020 -4.383 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.861 0.833 -3.148 1.00 0.30 C ATOM 0 H THR A 145 0.924 1.517 -7.053 1.00 0.26 H new ATOM 0 HA THR A 145 -1.482 0.592 -5.860 1.00 0.24 H new ATOM 0 HB THR A 145 1.027 0.776 -4.155 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.401 -1.319 -5.198 1.00 0.30 H new ATOM 0 HG21 THR A 145 -0.480 0.391 -2.227 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.849 1.919 -3.061 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.883 0.494 -3.318 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.868 3.017 -5.340 1.00 0.26 N ATOM 2211 CA ILE A 146 -2.086 4.376 -4.913 1.00 0.28 C ATOM 2212 C ILE A 146 -1.812 4.451 -3.422 1.00 0.23 C ATOM 2213 O ILE A 146 -2.584 3.940 -2.606 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.520 4.848 -5.219 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.726 5.022 -6.723 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.831 6.140 -4.484 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.905 6.143 -7.314 1.00 0.63 C ATOM 0 H ILE A 146 -2.716 2.494 -5.559 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.413 5.036 -5.461 1.00 0.28 H new ATOM 0 HB ILE A 146 -4.209 4.081 -4.867 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -3.471 4.090 -7.228 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.781 5.212 -6.918 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.849 6.454 -4.715 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.736 5.980 -3.410 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -3.132 6.915 -4.798 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -3.099 6.211 -8.384 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -3.176 7.084 -6.835 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.846 5.944 -7.149 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.679 5.022 -3.077 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.273 5.129 -1.691 1.00 0.30 C ATOM 2231 C PHE A 147 -0.790 6.419 -1.075 1.00 0.32 C ATOM 2232 O PHE A 147 -0.369 7.515 -1.436 1.00 0.50 O ATOM 2233 CB PHE A 147 1.242 5.079 -1.581 1.00 0.41 C ATOM 2234 CG PHE A 147 1.811 3.698 -1.439 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.737 2.803 -2.484 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.425 3.294 -0.262 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.265 1.536 -2.365 1.00 0.33 C ATOM 2238 CE2 PHE A 147 2.954 2.027 -0.147 1.00 0.36 C ATOM 2239 CZ PHE A 147 2.873 1.149 -1.197 1.00 0.33 C ATOM 0 H PHE A 147 -0.017 5.422 -3.742 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.700 4.287 -1.147 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.673 5.547 -2.466 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.551 5.676 -0.723 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.260 3.098 -3.407 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.489 3.978 0.571 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.200 0.846 -3.193 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.434 1.725 0.772 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.287 0.156 -1.105 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.705 6.274 -0.148 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.253 7.397 0.583 1.00 0.27 C ATOM 2251 C CYS A 148 -1.556 7.543 1.931 1.00 0.31 C ATOM 2252 O CYS A 148 -1.208 6.555 2.571 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.754 7.200 0.778 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.684 7.087 -0.768 1.00 0.68 S ATOM 0 H CYS A 148 -2.094 5.371 0.124 1.00 0.26 H new ATOM 0 HA CYS A 148 -2.086 8.310 0.011 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.919 6.292 1.357 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -4.146 8.029 1.367 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.566 8.041 -0.815 1.00 0.68 H new ATOM 2260 N LYS A 149 -1.339 8.781 2.339 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.683 9.087 3.607 1.00 0.28 C ATOM 2262 C LYS A 149 -1.666 9.847 4.481 1.00 0.28 C ATOM 2263 O LYS A 149 -1.826 11.058 4.332 1.00 0.40 O ATOM 2264 CB LYS A 149 0.563 9.952 3.356 1.00 0.36 C ATOM 2265 CG LYS A 149 1.182 9.755 1.977 1.00 0.56 C ATOM 2266 CD LYS A 149 1.951 8.450 1.865 1.00 0.89 C ATOM 2267 CE LYS A 149 2.035 7.974 0.419 1.00 1.01 C ATOM 2268 NZ LYS A 149 2.676 8.965 -0.490 1.00 1.44 N ATOM 0 H LYS A 149 -1.611 9.606 1.804 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.374 8.165 4.100 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.295 11.002 3.477 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.311 9.724 4.115 1.00 0.36 H new ATOM 0 HG2 LYS A 149 0.395 9.775 1.223 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.852 10.587 1.761 1.00 0.56 H new ATOM 0 HD2 LYS A 149 2.956 8.583 2.264 1.00 0.89 H new ATOM 0 HD3 LYS A 149 1.465 7.687 2.473 1.00 0.89 H new ATOM 0 HE2 LYS A 149 2.597 7.041 0.383 1.00 1.01 H new ATOM 0 HE3 LYS A 149 1.031 7.755 0.057 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 2.672 8.597 -1.463 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 2.147 9.860 -0.456 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 3.657 9.131 -0.186 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.347 9.149 5.373 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.430 9.754 6.105 1.00 0.22 C ATOM 2284 C LEU A 150 -3.301 9.581 7.608 1.00 0.19 C ATOM 2285 O LEU A 150 -2.332 9.042 8.137 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.779 9.200 5.617 1.00 0.25 C ATOM 2287 CG LEU A 150 -5.057 7.723 5.886 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.754 7.513 7.222 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.876 7.127 4.755 1.00 0.84 C ATOM 0 H LEU A 150 -2.167 8.172 5.602 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.382 10.825 5.908 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.574 9.785 6.081 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.846 9.367 4.542 1.00 0.25 H new ATOM 0 HG LEU A 150 -4.097 7.209 5.937 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.934 6.449 7.375 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.123 7.894 8.025 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.705 8.046 7.224 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -6.067 6.074 4.960 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.824 7.658 4.673 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -5.326 7.221 3.819 1.00 0.84 H new ATOM 2301 N SER A 151 -4.326 10.051 8.263 1.00 0.26 N ATOM 2302 CA SER A 151 -4.423 10.109 9.690 1.00 0.29 C ATOM 2303 C SER A 151 -5.887 10.168 10.057 1.00 0.25 C ATOM 2304 O SER A 151 -6.471 11.249 10.127 1.00 0.29 O ATOM 2305 CB SER A 151 -3.733 11.364 10.163 1.00 0.46 C ATOM 2306 OG SER A 151 -3.883 12.402 9.203 1.00 1.77 O ATOM 0 H SER A 151 -5.152 10.420 7.793 1.00 0.26 H new ATOM 0 HA SER A 151 -3.958 9.238 10.152 1.00 0.29 H new ATOM 0 HB2 SER A 151 -4.152 11.680 11.118 1.00 0.46 H new ATOM 0 HB3 SER A 151 -2.675 11.164 10.330 1.00 0.46 H new ATOM 0 HG SER A 151 -3.430 13.210 9.522 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.502 9.020 10.247 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.918 8.986 10.552 1.00 0.31 C ATOM 2314 C ALA A 152 -8.178 9.586 11.915 1.00 0.33 C ATOM 2315 O ALA A 152 -9.311 9.926 12.258 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.440 7.571 10.476 1.00 0.41 C ATOM 0 H ALA A 152 -6.051 8.107 10.197 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.449 9.583 9.811 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.505 7.563 10.708 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -8.285 7.179 9.471 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -7.908 6.948 11.195 1.00 0.41 H new ATOM 2322 N LYS A 153 -7.115 9.728 12.688 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.228 10.375 13.984 1.00 0.34 C ATOM 2324 C LYS A 153 -7.301 11.895 13.861 1.00 0.36 C ATOM 2325 O LYS A 153 -8.108 12.522 14.544 1.00 0.49 O ATOM 2326 CB LYS A 153 -6.110 9.961 14.913 1.00 0.35 C ATOM 2327 CG LYS A 153 -6.425 8.706 15.711 1.00 0.60 C ATOM 2328 CD LYS A 153 -6.552 8.992 17.202 1.00 1.12 C ATOM 2329 CE LYS A 153 -5.206 8.936 17.921 1.00 1.65 C ATOM 2330 NZ LYS A 153 -4.246 9.968 17.445 1.00 2.30 N ATOM 0 H LYS A 153 -6.177 9.409 12.446 1.00 0.30 H new ATOM 0 HA LYS A 153 -8.168 10.038 14.421 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.205 9.794 14.329 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -5.899 10.778 15.603 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -7.354 8.268 15.346 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -5.640 7.968 15.550 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -6.996 9.977 17.344 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -7.232 8.268 17.652 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -5.367 9.065 18.991 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -4.767 7.948 17.781 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -3.429 10.005 18.087 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -3.923 9.726 16.487 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -4.715 10.896 17.428 1.00 2.30 H new ATOM 2344 N THR A 154 -6.480 12.513 13.003 1.00 0.30 N ATOM 2345 CA THR A 154 -6.597 13.957 12.807 1.00 0.39 C ATOM 2346 C THR A 154 -7.619 14.301 11.731 1.00 0.36 C ATOM 2347 O THR A 154 -7.979 15.469 11.542 1.00 0.41 O ATOM 2348 CB THR A 154 -5.245 14.605 12.478 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.448 13.691 11.730 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.512 15.014 13.745 1.00 0.70 C ATOM 0 H THR A 154 -5.754 12.054 12.453 1.00 0.30 H new ATOM 0 HA THR A 154 -6.946 14.366 13.755 1.00 0.39 H new ATOM 0 HB THR A 154 -5.427 15.503 11.887 1.00 0.47 H new ATOM 0 HG1 THR A 154 -3.825 14.190 11.161 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.558 15.470 13.482 1.00 0.70 H new ATOM 0 HG22 THR A 154 -5.117 15.732 14.300 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.335 14.134 14.363 1.00 0.70 H new ATOM 2358 N LYS A 155 -8.075 13.263 11.033 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.140 13.378 10.037 1.00 0.32 C ATOM 2360 C LYS A 155 -8.686 14.197 8.851 1.00 0.34 C ATOM 2361 O LYS A 155 -9.356 15.131 8.423 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.409 13.983 10.637 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.160 13.026 11.536 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.436 11.711 10.830 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.413 10.853 11.618 1.00 0.61 C ATOM 2366 NZ LYS A 155 -11.945 10.614 13.011 1.00 1.36 N ATOM 0 H LYS A 155 -7.715 12.315 11.142 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.373 12.369 9.698 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -10.144 14.874 11.207 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -11.067 14.304 9.830 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.580 12.841 12.440 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.101 13.479 11.848 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.841 11.907 9.837 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.501 11.167 10.692 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -13.387 11.341 11.641 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.547 9.897 11.111 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -12.501 9.846 13.437 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -10.940 10.348 12.999 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -12.066 11.481 13.572 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.537 13.835 8.330 1.00 0.30 N ATOM 2381 CA GLU A 156 -6.960 14.560 7.203 1.00 0.33 C ATOM 2382 C GLU A 156 -7.021 13.714 5.943 1.00 0.28 C ATOM 2383 O GLU A 156 -7.731 14.011 4.970 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.500 14.901 7.500 1.00 0.40 C ATOM 2385 CG GLU A 156 -5.287 15.449 8.897 1.00 1.30 C ATOM 2386 CD GLU A 156 -3.833 15.738 9.208 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.369 16.854 8.893 1.00 1.52 O ATOM 2388 OE2 GLU A 156 -3.146 14.848 9.750 1.00 2.48 O ATOM 0 H GLU A 156 -6.979 13.048 8.661 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.532 15.475 7.052 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -4.891 14.006 7.371 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.149 15.633 6.772 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -5.866 16.365 9.013 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -5.672 14.734 9.624 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.276 12.638 5.986 1.00 0.29 N ATOM 2396 CA GLY A 157 -6.122 11.806 4.830 1.00 0.28 C ATOM 2397 C GLY A 157 -7.341 10.960 4.515 1.00 0.27 C ATOM 2398 O GLY A 157 -7.347 10.261 3.514 1.00 0.29 O ATOM 0 H GLY A 157 -5.768 12.321 6.812 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.896 12.435 3.969 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.265 11.149 4.979 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.370 11.005 5.360 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.589 10.271 5.066 1.00 0.28 C ATOM 2404 C LEU A 158 -10.313 10.945 3.920 1.00 0.30 C ATOM 2405 O LEU A 158 -10.882 10.290 3.046 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.491 10.187 6.290 1.00 0.31 C ATOM 2407 CG LEU A 158 -10.022 9.213 7.371 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -11.048 9.121 8.485 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.756 7.837 6.779 1.00 0.80 C ATOM 0 H LEU A 158 -8.381 11.531 6.234 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.325 9.252 4.782 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.576 11.181 6.729 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.490 9.895 5.967 1.00 0.31 H new ATOM 0 HG LEU A 158 -9.089 9.592 7.789 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.698 8.423 9.246 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -11.189 10.105 8.932 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.996 8.768 8.078 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.423 7.160 7.566 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.671 7.450 6.331 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.982 7.913 6.015 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.264 12.269 3.922 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.803 13.053 2.831 1.00 0.38 C ATOM 2423 C ASP A 159 -9.947 12.849 1.590 1.00 0.32 C ATOM 2424 O ASP A 159 -10.460 12.706 0.478 1.00 0.33 O ATOM 2425 CB ASP A 159 -10.850 14.540 3.193 1.00 0.50 C ATOM 2426 CG ASP A 159 -11.617 14.809 4.472 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -11.044 14.618 5.567 1.00 2.20 O ATOM 2428 OD2 ASP A 159 -12.789 15.226 4.394 1.00 1.42 O ATOM 0 H ASP A 159 -9.853 12.822 4.674 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.822 12.720 2.634 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -9.832 14.916 3.299 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -11.311 15.094 2.375 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.628 12.804 1.788 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.709 12.596 0.675 1.00 0.30 C ATOM 2435 C HIS A 160 -7.721 11.135 0.208 1.00 0.28 C ATOM 2436 O HIS A 160 -7.185 10.812 -0.849 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.289 13.038 1.063 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.290 12.947 -0.056 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -5.260 13.818 -1.127 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.280 12.071 -0.261 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -4.274 13.481 -1.939 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.662 12.424 -1.438 1.00 0.54 N ATOM 0 H HIS A 160 -8.179 12.908 2.698 1.00 0.30 H new ATOM 0 HA HIS A 160 -8.045 13.210 -0.161 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.325 14.067 1.420 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -5.944 12.424 1.895 1.00 0.34 H new ATOM 0 HD1 HIS A 160 -5.900 14.600 -1.269 1.00 0.52 H new ATOM 0 HD2 HIS A 160 -4.009 11.246 0.381 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -4.013 13.985 -2.858 1.00 0.58 H new ATOM 2451 N LEU A 161 -8.353 10.261 0.975 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.430 8.852 0.611 1.00 0.28 C ATOM 2453 C LEU A 161 -9.476 8.656 -0.467 1.00 0.29 C ATOM 2454 O LEU A 161 -9.196 8.131 -1.543 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.791 8.005 1.834 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.842 6.494 1.598 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.478 5.968 1.178 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -9.335 5.773 2.844 1.00 1.16 C ATOM 0 H LEU A 161 -8.819 10.499 1.850 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.457 8.535 0.236 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -8.065 8.208 2.621 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.763 8.330 2.205 1.00 0.29 H new ATOM 0 HG LEU A 161 -9.546 6.299 0.789 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.537 4.892 1.016 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -7.168 6.458 0.255 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -6.750 6.177 1.962 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -9.364 4.700 2.656 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.659 5.978 3.674 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -10.336 6.124 3.096 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.679 9.113 -0.168 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.806 8.982 -1.075 1.00 0.37 C ATOM 2472 C LEU A 162 -11.571 9.742 -2.379 1.00 0.38 C ATOM 2473 O LEU A 162 -12.089 9.356 -3.422 1.00 0.45 O ATOM 2474 CB LEU A 162 -13.090 9.447 -0.371 1.00 0.47 C ATOM 2475 CG LEU A 162 -13.071 10.866 0.213 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -13.429 11.903 -0.842 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -14.016 10.963 1.400 1.00 1.51 C ATOM 0 H LEU A 162 -10.902 9.585 0.708 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.917 7.932 -1.345 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -13.913 9.381 -1.083 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.310 8.748 0.436 1.00 0.47 H new ATOM 0 HG LEU A 162 -12.057 11.075 0.555 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -13.407 12.898 -0.397 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -12.709 11.855 -1.659 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.428 11.700 -1.227 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -13.991 11.975 1.803 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -15.030 10.725 1.078 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -13.705 10.258 2.171 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.781 10.814 -2.332 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.480 11.576 -3.541 1.00 0.44 C ATOM 2491 C GLU A 163 -9.422 10.870 -4.392 1.00 0.41 C ATOM 2492 O GLU A 163 -9.394 11.024 -5.611 1.00 0.50 O ATOM 2493 CB GLU A 163 -10.052 13.007 -3.197 1.00 0.56 C ATOM 2494 CG GLU A 163 -8.795 13.100 -2.360 1.00 1.03 C ATOM 2495 CD GLU A 163 -8.460 14.525 -1.968 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -9.250 15.147 -1.229 1.00 2.14 O ATOM 2497 OE2 GLU A 163 -7.391 15.019 -2.371 1.00 2.57 O ATOM 0 H GLU A 163 -10.344 11.170 -1.482 1.00 0.37 H new ATOM 0 HA GLU A 163 -11.393 11.635 -4.134 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -9.898 13.560 -4.124 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -10.866 13.498 -2.664 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -8.917 12.499 -1.459 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -7.960 12.674 -2.917 1.00 1.03 H new ATOM 2504 N MET A 164 -8.561 10.079 -3.756 1.00 0.37 N ATOM 2505 CA MET A 164 -7.606 9.268 -4.504 1.00 0.39 C ATOM 2506 C MET A 164 -8.332 8.094 -5.136 1.00 0.37 C ATOM 2507 O MET A 164 -8.120 7.766 -6.305 1.00 0.43 O ATOM 2508 CB MET A 164 -6.481 8.759 -3.605 1.00 0.43 C ATOM 2509 CG MET A 164 -5.484 9.826 -3.175 1.00 0.64 C ATOM 2510 SD MET A 164 -4.463 10.456 -4.528 1.00 0.58 S ATOM 2511 CE MET A 164 -5.596 11.579 -5.350 1.00 0.53 C ATOM 0 H MET A 164 -8.505 9.983 -2.742 1.00 0.37 H new ATOM 0 HA MET A 164 -7.158 9.891 -5.278 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.920 8.310 -2.714 1.00 0.43 H new ATOM 0 HB3 MET A 164 -5.944 7.968 -4.129 1.00 0.43 H new ATOM 0 HG2 MET A 164 -6.027 10.657 -2.724 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.834 9.413 -2.403 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.923 11.141 -6.293 1.00 0.53 H new ATOM 0 HE2 MET A 164 -6.462 11.754 -4.712 1.00 0.53 H new ATOM 0 HE3 MET A 164 -5.092 12.526 -5.545 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.197 7.474 -4.347 1.00 0.34 N ATOM 2522 CA ILE A 165 -10.071 6.422 -4.834 1.00 0.38 C ATOM 2523 C ILE A 165 -10.940 6.945 -5.979 1.00 0.44 C ATOM 2524 O ILE A 165 -11.168 6.256 -6.970 1.00 0.52 O ATOM 2525 CB ILE A 165 -10.976 5.904 -3.698 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -10.132 5.216 -2.623 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -12.036 4.961 -4.240 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -10.930 4.779 -1.416 1.00 0.50 C ATOM 0 H ILE A 165 -9.311 7.686 -3.356 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.451 5.602 -5.197 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.486 6.754 -3.245 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.642 4.345 -3.059 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.344 5.897 -2.300 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.662 4.608 -3.421 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.653 5.487 -4.968 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.554 4.110 -4.721 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -10.267 4.299 -0.696 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.398 5.649 -0.955 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.701 4.073 -1.726 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.407 8.180 -5.824 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.240 8.837 -6.824 1.00 0.57 C ATOM 2542 C LEU A 166 -11.527 8.955 -8.158 1.00 0.61 C ATOM 2543 O LEU A 166 -12.120 8.693 -9.201 1.00 0.70 O ATOM 2544 CB LEU A 166 -12.680 10.215 -6.296 1.00 0.66 C ATOM 2545 CG LEU A 166 -12.883 11.321 -7.342 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -14.017 12.241 -6.919 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -11.616 12.146 -7.526 1.00 1.38 C ATOM 0 H LEU A 166 -11.218 8.753 -5.002 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.125 8.225 -6.999 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -13.615 10.088 -5.750 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -11.935 10.558 -5.578 1.00 0.66 H new ATOM 0 HG LEU A 166 -13.129 10.839 -8.288 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -14.151 13.021 -7.668 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -14.938 11.665 -6.826 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -13.776 12.698 -5.959 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -11.791 12.921 -8.273 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -11.343 12.610 -6.578 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -10.805 11.498 -7.859 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.267 9.347 -8.120 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.451 9.426 -9.324 1.00 0.64 C ATOM 2561 C LEU A 167 -9.468 8.092 -10.049 1.00 0.66 C ATOM 2562 O LEU A 167 -9.594 8.025 -11.269 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.013 9.797 -8.961 1.00 0.64 C ATOM 2564 CG LEU A 167 -7.107 10.166 -10.138 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -7.610 11.427 -10.821 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -5.670 10.348 -9.668 1.00 1.51 C ATOM 0 H LEU A 167 -9.782 9.618 -7.265 1.00 0.56 H new ATOM 0 HA LEU A 167 -9.862 10.195 -9.978 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.038 10.638 -8.268 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.564 8.958 -8.429 1.00 0.64 H new ATOM 0 HG LEU A 167 -7.131 9.351 -10.861 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -6.954 11.675 -11.656 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -8.622 11.261 -11.191 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.615 12.250 -10.107 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -5.040 10.610 -10.518 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -5.628 11.145 -8.926 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -5.312 9.419 -9.224 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.346 7.033 -9.271 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.438 5.688 -9.788 1.00 0.69 C ATOM 2580 C VAL A 168 -10.854 5.392 -10.288 1.00 0.77 C ATOM 2581 O VAL A 168 -11.027 4.778 -11.340 1.00 0.89 O ATOM 2582 CB VAL A 168 -9.042 4.668 -8.704 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -9.124 3.258 -9.239 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.646 4.960 -8.177 1.00 0.66 C ATOM 0 H VAL A 168 -9.181 7.084 -8.266 1.00 0.61 H new ATOM 0 HA VAL A 168 -8.748 5.601 -10.627 1.00 0.69 H new ATOM 0 HB VAL A 168 -9.747 4.760 -7.878 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -8.840 2.555 -8.456 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -10.144 3.050 -9.561 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -8.447 3.150 -10.086 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -7.385 4.228 -7.412 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -6.928 4.901 -8.995 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.622 5.960 -7.745 1.00 0.66 H new