USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.906 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0.489 (180deg=0.477) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 21 ASN : amide:sc= -4.25! C(o=-4.3!,f=-3.9!) USER MOD Single : A 23 MET CE :methyl 149:sc= -6.14! (180deg=-8.75!) USER MOD Single : A 26 SER OG : rot 180:sc=-0.000293 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= -0.113 (180deg=-0.538) USER MOD Single : A 44 SER OG : rot 180:sc= -0.757 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc=-0.00571 K(o=-0.0057,f=-0.75) USER MOD Single : A 65 SER OG : rot 170:sc= -1.37 USER MOD Single : A 70 SER OG : rot 60:sc= 0.152 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -6.94! C(o=-6.9!,f=-16!) USER MOD Single : A 83 MET CE :methyl -113:sc= -6.9! (180deg=-13.9!) USER MOD Single : A 84 THR OG1 : rot 84:sc= 0.0976 USER MOD Single : A 86 THR OG1 : rot -73:sc= -3.17! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0386 USER MOD Single : A 91 THR OG1 : rot 180:sc= -3.22! USER MOD ----------------------------------------------------------------- ATOM 153 N GLU A 11 -3.712 -5.344 -7.920 1.00 0.00 N ATOM 154 CA GLU A 11 -3.590 -4.235 -8.850 1.00 0.00 C ATOM 155 C GLU A 11 -2.741 -3.119 -8.237 1.00 0.00 C ATOM 156 O GLU A 11 -2.542 -3.081 -7.025 1.00 0.00 O ATOM 157 CB GLU A 11 -4.968 -3.712 -9.263 1.00 0.00 C ATOM 158 CG GLU A 11 -5.196 -3.896 -10.765 1.00 0.00 C ATOM 159 CD GLU A 11 -6.569 -3.363 -11.180 1.00 0.00 C ATOM 160 OE1 GLU A 11 -7.539 -3.672 -10.457 1.00 0.00 O ATOM 161 OE2 GLU A 11 -6.613 -2.657 -12.212 1.00 0.00 O ATOM 0 HA GLU A 11 -3.089 -4.594 -9.749 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.743 -4.239 -8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.053 -2.656 -9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.416 -3.376 -11.321 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.119 -4.953 -11.021 1.00 0.00 H new ATOM 168 N ILE A 12 -2.265 -2.238 -9.105 1.00 0.00 N ATOM 169 CA ILE A 12 -1.443 -1.124 -8.662 1.00 0.00 C ATOM 170 C ILE A 12 -2.341 0.074 -8.344 1.00 0.00 C ATOM 171 O ILE A 12 -2.943 0.657 -9.243 1.00 0.00 O ATOM 172 CB ILE A 12 -0.354 -0.820 -9.693 1.00 0.00 C ATOM 173 CG1 ILE A 12 0.740 0.065 -9.092 1.00 0.00 C ATOM 174 CG2 ILE A 12 -0.956 -0.207 -10.961 1.00 0.00 C ATOM 175 CD1 ILE A 12 2.056 -0.095 -9.857 1.00 0.00 C ATOM 0 H ILE A 12 -2.432 -2.273 -10.111 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.917 -1.381 -7.742 1.00 0.00 H new ATOM 0 HB ILE A 12 0.116 -1.760 -9.981 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.424 1.108 -9.118 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.890 -0.197 -8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.161 -0.000 -11.678 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.668 -0.906 -11.400 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.468 0.722 -10.709 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.817 0.545 -9.410 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.381 -1.134 -9.808 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.908 0.191 -10.899 1.00 0.00 H new ATOM 187 N ILE A 13 -2.401 0.403 -7.062 1.00 0.00 N ATOM 188 CA ILE A 13 -3.215 1.519 -6.615 1.00 0.00 C ATOM 189 C ILE A 13 -2.327 2.753 -6.438 1.00 0.00 C ATOM 190 O ILE A 13 -1.167 2.637 -6.050 1.00 0.00 O ATOM 191 CB ILE A 13 -3.999 1.141 -5.356 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.330 -0.352 -5.345 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.252 2.006 -5.209 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.262 -0.717 -6.502 1.00 0.00 C ATOM 0 H ILE A 13 -1.899 -0.084 -6.319 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.964 1.769 -7.366 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.368 1.338 -4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.410 -0.932 -5.418 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.800 -0.617 -4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.790 1.716 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.964 3.055 -5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.896 1.864 -6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.481 -1.784 -6.470 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.191 -0.153 -6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.779 -0.474 -7.449 1.00 0.00 H new ATOM 206 N THR A 14 -2.909 3.907 -6.730 1.00 0.00 N ATOM 207 CA THR A 14 -2.186 5.161 -6.610 1.00 0.00 C ATOM 208 C THR A 14 -2.953 6.136 -5.712 1.00 0.00 C ATOM 209 O THR A 14 -4.105 6.465 -5.989 1.00 0.00 O ATOM 210 CB THR A 14 -1.938 5.703 -8.019 1.00 0.00 C ATOM 211 OG1 THR A 14 -1.209 6.909 -7.805 1.00 0.00 O ATOM 212 CG2 THR A 14 -3.224 6.161 -8.706 1.00 0.00 C ATOM 0 H THR A 14 -3.873 4.000 -7.049 1.00 0.00 H new ATOM 0 HA THR A 14 -1.220 5.014 -6.128 1.00 0.00 H new ATOM 0 HB THR A 14 -1.459 4.933 -8.624 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.005 7.325 -8.668 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.990 6.536 -9.702 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.913 5.320 -8.787 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.688 6.954 -8.119 1.00 0.00 H new ATOM 220 N VAL A 15 -2.283 6.567 -4.655 1.00 0.00 N ATOM 221 CA VAL A 15 -2.886 7.496 -3.714 1.00 0.00 C ATOM 222 C VAL A 15 -2.170 8.846 -3.805 1.00 0.00 C ATOM 223 O VAL A 15 -0.992 8.951 -3.469 1.00 0.00 O ATOM 224 CB VAL A 15 -2.865 6.902 -2.305 1.00 0.00 C ATOM 225 CG1 VAL A 15 -4.215 7.097 -1.607 1.00 0.00 C ATOM 226 CG2 VAL A 15 -2.473 5.424 -2.338 1.00 0.00 C ATOM 0 H VAL A 15 -1.328 6.290 -4.428 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.933 7.666 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.109 7.435 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.173 6.666 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.436 8.162 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.997 6.602 -2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.466 5.027 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.193 4.870 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.480 5.321 -2.775 1.00 0.00 H new ATOM 236 N THR A 16 -2.912 9.844 -4.262 1.00 0.00 N ATOM 237 CA THR A 16 -2.363 11.182 -4.401 1.00 0.00 C ATOM 238 C THR A 16 -2.531 11.965 -3.099 1.00 0.00 C ATOM 239 O THR A 16 -3.497 11.758 -2.365 1.00 0.00 O ATOM 240 CB THR A 16 -3.037 11.846 -5.603 1.00 0.00 C ATOM 241 OG1 THR A 16 -2.607 11.071 -6.717 1.00 0.00 O ATOM 242 CG2 THR A 16 -2.484 13.245 -5.885 1.00 0.00 C ATOM 0 H THR A 16 -3.889 9.753 -4.541 1.00 0.00 H new ATOM 0 HA THR A 16 -1.290 11.153 -4.588 1.00 0.00 H new ATOM 0 HB THR A 16 -4.111 11.909 -5.427 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.000 11.433 -7.539 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.996 13.672 -6.747 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.645 13.882 -5.015 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.416 13.179 -6.093 1.00 0.00 H new ATOM 250 N LEU A 17 -1.578 12.851 -2.850 1.00 0.00 N ATOM 251 CA LEU A 17 -1.608 13.667 -1.649 1.00 0.00 C ATOM 252 C LEU A 17 -2.511 14.881 -1.884 1.00 0.00 C ATOM 253 O LEU A 17 -2.067 15.893 -2.426 1.00 0.00 O ATOM 254 CB LEU A 17 -0.187 14.032 -1.213 1.00 0.00 C ATOM 255 CG LEU A 17 0.466 13.091 -0.199 1.00 0.00 C ATOM 256 CD1 LEU A 17 0.875 13.847 1.067 1.00 0.00 C ATOM 257 CD2 LEU A 17 -0.445 11.902 0.113 1.00 0.00 C ATOM 0 H LEU A 17 -0.779 13.022 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.037 13.106 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.445 14.073 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.205 15.036 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 17 1.377 12.690 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.337 13.155 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.587 14.631 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.007 14.295 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.044 11.249 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.386 12.264 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.643 11.345 -0.803 1.00 0.00 H new ATOM 269 N LYS A 18 -3.758 14.739 -1.465 1.00 0.00 N ATOM 270 CA LYS A 18 -4.726 15.811 -1.623 1.00 0.00 C ATOM 271 C LYS A 18 -4.503 16.860 -0.531 1.00 0.00 C ATOM 272 O LYS A 18 -4.165 18.004 -0.825 1.00 0.00 O ATOM 273 CB LYS A 18 -6.149 15.247 -1.654 1.00 0.00 C ATOM 274 CG LYS A 18 -7.160 16.333 -2.030 1.00 0.00 C ATOM 275 CD LYS A 18 -8.549 15.733 -2.258 1.00 0.00 C ATOM 276 CE LYS A 18 -8.874 15.656 -3.751 1.00 0.00 C ATOM 277 NZ LYS A 18 -7.971 14.699 -4.429 1.00 0.00 N ATOM 0 H LYS A 18 -4.121 13.898 -1.016 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.586 16.313 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.204 14.429 -2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.401 14.832 -0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.208 17.080 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.829 16.846 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.595 14.736 -1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.299 16.339 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.910 15.347 -3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.773 16.643 -4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.269 14.582 -5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.997 15.062 -4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.012 13.780 -3.944 1.00 0.00 H new ATOM 291 N LYS A 19 -4.703 16.430 0.706 1.00 0.00 N ATOM 292 CA LYS A 19 -4.527 17.318 1.843 1.00 0.00 C ATOM 293 C LYS A 19 -3.035 17.468 2.142 1.00 0.00 C ATOM 294 O LYS A 19 -2.649 18.240 3.018 1.00 0.00 O ATOM 295 CB LYS A 19 -5.348 16.826 3.037 1.00 0.00 C ATOM 296 CG LYS A 19 -5.018 17.629 4.297 1.00 0.00 C ATOM 297 CD LYS A 19 -6.039 17.359 5.403 1.00 0.00 C ATOM 298 CE LYS A 19 -5.341 17.016 6.722 1.00 0.00 C ATOM 299 NZ LYS A 19 -5.443 18.148 7.672 1.00 0.00 N ATOM 0 H LYS A 19 -4.985 15.480 0.946 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.907 18.313 1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.411 16.914 2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.146 15.769 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.019 17.368 4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.005 18.693 4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.673 18.235 5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.691 16.537 5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.793 16.125 7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.293 16.783 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.965 17.899 8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.991 18.989 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.445 18.352 7.863 1.00 0.00 H new ATOM 313 N GLN A 20 -2.236 16.717 1.397 1.00 0.00 N ATOM 314 CA GLN A 20 -0.795 16.758 1.572 1.00 0.00 C ATOM 315 C GLN A 20 -0.431 16.526 3.041 1.00 0.00 C ATOM 316 O GLN A 20 0.456 17.189 3.574 1.00 0.00 O ATOM 317 CB GLN A 20 -0.218 18.082 1.066 1.00 0.00 C ATOM 318 CG GLN A 20 -0.206 18.126 -0.463 1.00 0.00 C ATOM 319 CD GLN A 20 1.225 18.097 -1.002 1.00 0.00 C ATOM 320 OE1 GLN A 20 1.682 17.125 -1.580 1.00 0.00 O ATOM 321 NE2 GLN A 20 1.908 19.219 -0.781 1.00 0.00 N ATOM 0 H GLN A 20 -2.560 16.077 0.672 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.354 15.957 0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.809 18.912 1.453 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.796 18.209 1.445 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.765 17.278 -0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.710 19.029 -0.808 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.466 19.997 -0.291 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.873 19.301 -1.102 1.00 0.00 H new ATOM 330 N ASN A 21 -1.135 15.586 3.650 1.00 0.00 N ATOM 331 CA ASN A 21 -0.897 15.257 5.046 1.00 0.00 C ATOM 332 C ASN A 21 0.139 14.135 5.132 1.00 0.00 C ATOM 333 O ASN A 21 0.034 13.253 5.983 1.00 0.00 O ATOM 334 CB ASN A 21 -2.179 14.771 5.724 1.00 0.00 C ATOM 335 CG ASN A 21 -2.010 14.718 7.243 1.00 0.00 C ATOM 336 OD1 ASN A 21 -0.920 14.562 7.767 1.00 0.00 O ATOM 337 ND2 ASN A 21 -3.147 14.858 7.918 1.00 0.00 N ATOM 0 H ASN A 21 -1.872 15.040 3.203 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.543 16.157 5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.004 15.436 5.469 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.440 13.781 5.349 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.140 14.838 8.938 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.026 14.985 7.416 1.00 0.00 H new ATOM 344 N GLY A 22 1.116 14.205 4.241 1.00 0.00 N ATOM 345 CA GLY A 22 2.170 13.206 4.207 1.00 0.00 C ATOM 346 C GLY A 22 1.680 11.912 3.553 1.00 0.00 C ATOM 347 O GLY A 22 2.296 11.413 2.613 1.00 0.00 O ATOM 0 H GLY A 22 1.200 14.938 3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.026 13.595 3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.512 12.998 5.221 1.00 0.00 H new ATOM 351 N MET A 23 0.572 11.407 4.079 1.00 0.00 N ATOM 352 CA MET A 23 -0.010 10.181 3.559 1.00 0.00 C ATOM 353 C MET A 23 -1.070 9.629 4.514 1.00 0.00 C ATOM 354 O MET A 23 -2.266 9.789 4.278 1.00 0.00 O ATOM 355 CB MET A 23 1.091 9.136 3.359 1.00 0.00 C ATOM 356 CG MET A 23 1.210 8.739 1.887 1.00 0.00 C ATOM 357 SD MET A 23 2.862 9.068 1.298 1.00 0.00 S ATOM 358 CE MET A 23 3.645 7.511 1.687 1.00 0.00 C ATOM 0 H MET A 23 0.063 11.824 4.858 1.00 0.00 H new ATOM 0 HA MET A 23 -0.488 10.405 2.605 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.043 9.534 3.710 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.873 8.254 3.961 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.976 7.681 1.767 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.485 9.295 1.292 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.431 7.308 0.960 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.078 7.561 2.686 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.904 6.712 1.653 1.00 0.00 H new ATOM 368 N GLY A 24 -0.592 8.992 5.573 1.00 0.00 N ATOM 369 CA GLY A 24 -1.484 8.415 6.565 1.00 0.00 C ATOM 370 C GLY A 24 -1.875 6.986 6.186 1.00 0.00 C ATOM 371 O GLY A 24 -3.046 6.618 6.267 1.00 0.00 O ATOM 0 H GLY A 24 0.401 8.863 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.998 8.416 7.541 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.380 9.029 6.655 1.00 0.00 H new ATOM 375 N LEU A 25 -0.873 6.219 5.781 1.00 0.00 N ATOM 376 CA LEU A 25 -1.098 4.838 5.389 1.00 0.00 C ATOM 377 C LEU A 25 -0.390 3.910 6.378 1.00 0.00 C ATOM 378 O LEU A 25 0.490 4.345 7.121 1.00 0.00 O ATOM 379 CB LEU A 25 -0.681 4.621 3.934 1.00 0.00 C ATOM 380 CG LEU A 25 -1.753 4.901 2.879 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.693 3.873 1.747 1.00 0.00 C ATOM 382 CD2 LEU A 25 -3.143 4.973 3.515 1.00 0.00 C ATOM 0 H LEU A 25 0.097 6.528 5.716 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.160 4.597 5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.180 5.256 3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.350 3.588 3.822 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.550 5.877 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.466 4.096 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.714 3.915 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.856 2.875 2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.886 5.173 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.370 4.024 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.164 5.773 4.255 1.00 0.00 H new ATOM 394 N SER A 26 -0.800 2.651 6.354 1.00 0.00 N ATOM 395 CA SER A 26 -0.215 1.657 7.240 1.00 0.00 C ATOM 396 C SER A 26 -0.141 0.304 6.530 1.00 0.00 C ATOM 397 O SER A 26 -1.166 -0.255 6.141 1.00 0.00 O ATOM 398 CB SER A 26 -1.018 1.535 8.536 1.00 0.00 C ATOM 399 OG SER A 26 -0.198 1.152 9.637 1.00 0.00 O ATOM 0 H SER A 26 -1.529 2.296 5.736 1.00 0.00 H new ATOM 0 HA SER A 26 0.793 1.979 7.499 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.499 2.488 8.756 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.812 0.801 8.403 1.00 0.00 H new ATOM 0 HG SER A 26 -0.747 1.086 10.446 1.00 0.00 H new ATOM 405 N ILE A 27 1.082 -0.185 6.385 1.00 0.00 N ATOM 406 CA ILE A 27 1.302 -1.463 5.729 1.00 0.00 C ATOM 407 C ILE A 27 2.296 -2.287 6.551 1.00 0.00 C ATOM 408 O ILE A 27 2.871 -1.791 7.518 1.00 0.00 O ATOM 409 CB ILE A 27 1.731 -1.253 4.275 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.253 -1.348 4.134 1.00 0.00 C ATOM 411 CG2 ILE A 27 1.186 0.067 3.728 1.00 0.00 C ATOM 412 CD1 ILE A 27 3.668 -1.332 2.663 1.00 0.00 C ATOM 0 H ILE A 27 1.930 0.280 6.710 1.00 0.00 H new ATOM 0 HA ILE A 27 0.374 -2.033 5.683 1.00 0.00 H new ATOM 0 HB ILE A 27 1.301 -2.053 3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.723 -0.515 4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.609 -2.263 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.505 0.192 2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.097 0.058 3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.567 0.894 4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.753 -1.401 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.216 -2.180 2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.331 -0.404 2.200 1.00 0.00 H new ATOM 424 N VAL A 28 2.466 -3.534 6.136 1.00 0.00 N ATOM 425 CA VAL A 28 3.378 -4.432 6.822 1.00 0.00 C ATOM 426 C VAL A 28 3.945 -5.441 5.820 1.00 0.00 C ATOM 427 O VAL A 28 3.329 -5.709 4.790 1.00 0.00 O ATOM 428 CB VAL A 28 2.670 -5.099 8.005 1.00 0.00 C ATOM 429 CG1 VAL A 28 3.468 -6.300 8.516 1.00 0.00 C ATOM 430 CG2 VAL A 28 2.414 -4.092 9.126 1.00 0.00 C ATOM 0 H VAL A 28 1.987 -3.943 5.333 1.00 0.00 H new ATOM 0 HA VAL A 28 4.219 -3.876 7.236 1.00 0.00 H new ATOM 0 HB VAL A 28 1.704 -5.465 7.656 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.943 -6.755 9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.576 -7.032 7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.455 -5.970 8.841 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.910 -4.590 9.954 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.363 -3.683 9.472 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.785 -3.284 8.752 1.00 0.00 H new ATOM 440 N ALA A 29 5.110 -5.972 6.159 1.00 0.00 N ATOM 441 CA ALA A 29 5.767 -6.945 5.301 1.00 0.00 C ATOM 442 C ALA A 29 6.308 -8.091 6.157 1.00 0.00 C ATOM 443 O ALA A 29 6.947 -7.857 7.181 1.00 0.00 O ATOM 444 CB ALA A 29 6.866 -6.254 4.490 1.00 0.00 C ATOM 0 H ALA A 29 5.616 -5.748 7.015 1.00 0.00 H new ATOM 0 HA ALA A 29 5.057 -7.370 4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.358 -6.984 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.426 -5.468 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.598 -5.816 5.168 1.00 0.00 H new ATOM 450 N ALA A 30 6.033 -9.306 5.704 1.00 0.00 N ATOM 451 CA ALA A 30 6.484 -10.489 6.418 1.00 0.00 C ATOM 452 C ALA A 30 7.545 -11.208 5.582 1.00 0.00 C ATOM 453 O ALA A 30 7.609 -11.031 4.367 1.00 0.00 O ATOM 454 CB ALA A 30 5.284 -11.385 6.732 1.00 0.00 C ATOM 0 H ALA A 30 5.504 -9.496 4.853 1.00 0.00 H new ATOM 0 HA ALA A 30 6.942 -10.213 7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.622 -12.272 7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.573 -10.837 7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.801 -11.685 5.802 1.00 0.00 H new ATOM 576 N GLY A 39 5.344 -11.868 2.591 1.00 0.00 N ATOM 577 CA GLY A 39 4.260 -11.184 1.906 1.00 0.00 C ATOM 578 C GLY A 39 3.976 -9.826 2.551 1.00 0.00 C ATOM 579 O GLY A 39 4.186 -9.647 3.749 1.00 0.00 O ATOM 0 HA2 GLY A 39 4.518 -11.045 0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.361 -11.800 1.934 1.00 0.00 H new ATOM 583 N ILE A 40 3.503 -8.903 1.725 1.00 0.00 N ATOM 584 CA ILE A 40 3.187 -7.565 2.200 1.00 0.00 C ATOM 585 C ILE A 40 1.674 -7.434 2.374 1.00 0.00 C ATOM 586 O ILE A 40 0.908 -8.170 1.753 1.00 0.00 O ATOM 587 CB ILE A 40 3.794 -6.511 1.271 1.00 0.00 C ATOM 588 CG1 ILE A 40 5.019 -7.065 0.540 1.00 0.00 C ATOM 589 CG2 ILE A 40 4.115 -5.226 2.038 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.532 -6.066 -0.501 1.00 0.00 C ATOM 0 H ILE A 40 3.331 -9.055 0.731 1.00 0.00 H new ATOM 0 HA ILE A 40 3.636 -7.391 3.178 1.00 0.00 H new ATOM 0 HB ILE A 40 3.055 -6.257 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.808 -7.284 1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.762 -8.005 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.545 -4.493 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.200 -4.824 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.829 -5.445 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.403 -6.483 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.748 -5.867 -1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.811 -5.136 -0.006 1.00 0.00 H new ATOM 602 N TYR A 41 1.288 -6.494 3.222 1.00 0.00 N ATOM 603 CA TYR A 41 -0.123 -6.257 3.485 1.00 0.00 C ATOM 604 C TYR A 41 -0.358 -4.821 3.964 1.00 0.00 C ATOM 605 O TYR A 41 0.593 -4.101 4.262 1.00 0.00 O ATOM 606 CB TYR A 41 -0.511 -7.225 4.604 1.00 0.00 C ATOM 607 CG TYR A 41 -0.173 -8.687 4.308 1.00 0.00 C ATOM 608 CD1 TYR A 41 -0.923 -9.396 3.391 1.00 0.00 C ATOM 609 CD2 TYR A 41 0.881 -9.298 4.956 1.00 0.00 C ATOM 610 CE1 TYR A 41 -0.605 -10.772 3.112 1.00 0.00 C ATOM 611 CE2 TYR A 41 1.200 -10.674 4.676 1.00 0.00 C ATOM 612 CZ TYR A 41 0.440 -11.343 3.767 1.00 0.00 C ATOM 613 OH TYR A 41 0.740 -12.643 3.503 1.00 0.00 O ATOM 0 H TYR A 41 1.926 -5.887 3.737 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.713 -6.405 2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.005 -6.925 5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.582 -7.141 4.788 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.748 -8.919 2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.467 -8.744 5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.184 -11.338 2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.023 -11.163 5.176 1.00 0.00 H new ATOM 0 HH TYR A 41 1.511 -12.917 4.043 1.00 0.00 H new ATOM 623 N VAL A 42 -1.628 -4.453 4.022 1.00 0.00 N ATOM 624 CA VAL A 42 -2.000 -3.117 4.460 1.00 0.00 C ATOM 625 C VAL A 42 -2.693 -3.206 5.821 1.00 0.00 C ATOM 626 O VAL A 42 -3.714 -3.879 5.958 1.00 0.00 O ATOM 627 CB VAL A 42 -2.861 -2.439 3.393 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.485 -1.149 3.931 1.00 0.00 C ATOM 629 CG2 VAL A 42 -2.050 -2.166 2.125 1.00 0.00 C ATOM 0 H VAL A 42 -2.413 -5.055 3.774 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.114 -2.495 4.587 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.670 -3.121 3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.092 -0.686 3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.113 -1.380 4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.695 -0.461 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.686 -1.684 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.211 -1.512 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.674 -3.107 1.724 1.00 0.00 H new ATOM 639 N LYS A 43 -2.111 -2.517 6.791 1.00 0.00 N ATOM 640 CA LYS A 43 -2.661 -2.509 8.137 1.00 0.00 C ATOM 641 C LYS A 43 -3.917 -1.636 8.165 1.00 0.00 C ATOM 642 O LYS A 43 -4.933 -2.023 8.740 1.00 0.00 O ATOM 643 CB LYS A 43 -1.594 -2.086 9.148 1.00 0.00 C ATOM 644 CG LYS A 43 -2.062 -2.349 10.582 1.00 0.00 C ATOM 645 CD LYS A 43 -2.046 -1.063 11.409 1.00 0.00 C ATOM 646 CE LYS A 43 -2.891 -1.213 12.675 1.00 0.00 C ATOM 647 NZ LYS A 43 -4.323 -1.351 12.328 1.00 0.00 N ATOM 0 H LYS A 43 -1.265 -1.960 6.673 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.965 -3.514 8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.670 -2.632 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.369 -1.027 9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.070 -2.764 10.569 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.416 -3.093 11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.020 -0.814 11.680 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.427 -0.236 10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.561 -2.086 13.238 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.749 -0.346 13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.906 -1.034 13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.535 -0.769 11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.535 -2.347 12.119 1.00 0.00 H new ATOM 661 N SER A 44 -3.805 -0.474 7.536 1.00 0.00 N ATOM 662 CA SER A 44 -4.918 0.457 7.483 1.00 0.00 C ATOM 663 C SER A 44 -4.400 1.881 7.260 1.00 0.00 C ATOM 664 O SER A 44 -3.192 2.110 7.257 1.00 0.00 O ATOM 665 CB SER A 44 -5.754 0.392 8.763 1.00 0.00 C ATOM 666 OG SER A 44 -6.411 1.627 9.036 1.00 0.00 O ATOM 0 H SER A 44 -2.961 -0.157 7.059 1.00 0.00 H new ATOM 0 HA SER A 44 -5.559 0.174 6.648 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.496 -0.401 8.671 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.111 0.130 9.603 1.00 0.00 H new ATOM 0 HG SER A 44 -6.935 1.544 9.860 1.00 0.00 H new ATOM 672 N VAL A 45 -5.340 2.796 7.081 1.00 0.00 N ATOM 673 CA VAL A 45 -4.993 4.189 6.857 1.00 0.00 C ATOM 674 C VAL A 45 -5.001 4.933 8.196 1.00 0.00 C ATOM 675 O VAL A 45 -5.916 4.763 8.998 1.00 0.00 O ATOM 676 CB VAL A 45 -5.941 4.806 5.825 1.00 0.00 C ATOM 677 CG1 VAL A 45 -5.930 4.002 4.524 1.00 0.00 C ATOM 678 CG2 VAL A 45 -7.359 4.924 6.387 1.00 0.00 C ATOM 0 H VAL A 45 -6.341 2.601 7.086 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.987 4.271 6.444 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.586 5.812 5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.611 4.460 3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.921 3.992 4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.250 2.980 4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.013 5.365 5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.728 3.934 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.347 5.557 7.274 1.00 0.00 H new ATOM 688 N VAL A 46 -3.969 5.741 8.391 1.00 0.00 N ATOM 689 CA VAL A 46 -3.846 6.510 9.617 1.00 0.00 C ATOM 690 C VAL A 46 -5.223 7.036 10.027 1.00 0.00 C ATOM 691 O VAL A 46 -5.501 7.205 11.213 1.00 0.00 O ATOM 692 CB VAL A 46 -2.811 7.623 9.435 1.00 0.00 C ATOM 693 CG1 VAL A 46 -3.036 8.751 10.443 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.389 7.071 9.539 1.00 0.00 C ATOM 0 H VAL A 46 -3.212 5.879 7.722 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.486 5.878 10.429 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.937 8.037 8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.287 9.529 10.292 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.031 9.173 10.301 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.950 8.357 11.456 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.673 7.882 9.406 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.246 6.618 10.520 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.233 6.319 8.765 1.00 0.00 H new ATOM 704 N LYS A 47 -6.050 7.282 9.021 1.00 0.00 N ATOM 705 CA LYS A 47 -7.392 7.784 9.260 1.00 0.00 C ATOM 706 C LYS A 47 -7.339 9.303 9.432 1.00 0.00 C ATOM 707 O LYS A 47 -8.322 9.920 9.837 1.00 0.00 O ATOM 708 CB LYS A 47 -8.035 7.053 10.439 1.00 0.00 C ATOM 709 CG LYS A 47 -9.555 7.234 10.435 1.00 0.00 C ATOM 710 CD LYS A 47 -10.233 6.157 9.587 1.00 0.00 C ATOM 711 CE LYS A 47 -11.746 6.154 9.813 1.00 0.00 C ATOM 712 NZ LYS A 47 -12.438 6.838 8.698 1.00 0.00 N ATOM 0 H LYS A 47 -5.816 7.143 8.038 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.034 7.582 8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.792 5.992 10.390 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.623 7.431 11.374 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.933 7.189 11.456 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.806 8.220 10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.019 6.331 8.532 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.822 5.179 9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.105 5.128 9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.980 6.652 10.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.464 6.827 8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.108 7.822 8.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.229 6.346 7.806 1.00 0.00 H new ATOM 726 N GLY A 48 -6.181 9.862 9.116 1.00 0.00 N ATOM 727 CA GLY A 48 -5.986 11.299 9.231 1.00 0.00 C ATOM 728 C GLY A 48 -4.894 11.783 8.273 1.00 0.00 C ATOM 729 O GLY A 48 -4.097 12.651 8.625 1.00 0.00 O ATOM 0 H GLY A 48 -5.367 9.347 8.780 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.921 11.815 9.013 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.714 11.552 10.256 1.00 0.00 H new ATOM 733 N GLY A 49 -4.894 11.199 7.085 1.00 0.00 N ATOM 734 CA GLY A 49 -3.914 11.560 6.076 1.00 0.00 C ATOM 735 C GLY A 49 -4.597 11.997 4.778 1.00 0.00 C ATOM 736 O GLY A 49 -5.822 11.944 4.670 1.00 0.00 O ATOM 0 H GLY A 49 -5.557 10.479 6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.284 12.367 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.260 10.710 5.879 1.00 0.00 H new ATOM 740 N ALA A 50 -3.777 12.419 3.827 1.00 0.00 N ATOM 741 CA ALA A 50 -4.288 12.865 2.542 1.00 0.00 C ATOM 742 C ALA A 50 -4.779 11.655 1.746 1.00 0.00 C ATOM 743 O ALA A 50 -5.971 11.532 1.469 1.00 0.00 O ATOM 744 CB ALA A 50 -3.199 13.646 1.804 1.00 0.00 C ATOM 0 H ALA A 50 -2.762 12.462 3.921 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.136 13.536 2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.581 13.981 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.906 14.511 2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.333 13.003 1.647 1.00 0.00 H new ATOM 750 N ALA A 51 -3.835 10.792 1.398 1.00 0.00 N ATOM 751 CA ALA A 51 -4.158 9.596 0.639 1.00 0.00 C ATOM 752 C ALA A 51 -4.962 8.639 1.520 1.00 0.00 C ATOM 753 O ALA A 51 -5.448 7.613 1.046 1.00 0.00 O ATOM 754 CB ALA A 51 -2.868 8.962 0.115 1.00 0.00 C ATOM 0 H ALA A 51 -2.847 10.898 1.628 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.775 9.844 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.109 8.064 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.349 9.672 -0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.226 8.697 0.955 1.00 0.00 H new ATOM 760 N ASP A 52 -5.079 9.007 2.787 1.00 0.00 N ATOM 761 CA ASP A 52 -5.817 8.196 3.738 1.00 0.00 C ATOM 762 C ASP A 52 -7.314 8.472 3.587 1.00 0.00 C ATOM 763 O ASP A 52 -8.108 7.545 3.433 1.00 0.00 O ATOM 764 CB ASP A 52 -5.417 8.532 5.177 1.00 0.00 C ATOM 765 CG ASP A 52 -6.570 8.542 6.182 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.180 7.466 6.359 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.816 9.628 6.752 1.00 0.00 O ATOM 0 H ASP A 52 -4.674 9.858 3.177 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.589 7.150 3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.671 7.810 5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.938 9.511 5.186 1.00 0.00 H new ATOM 772 N VAL A 53 -7.655 9.752 3.635 1.00 0.00 N ATOM 773 CA VAL A 53 -9.043 10.163 3.505 1.00 0.00 C ATOM 774 C VAL A 53 -9.437 10.144 2.027 1.00 0.00 C ATOM 775 O VAL A 53 -10.595 9.889 1.692 1.00 0.00 O ATOM 776 CB VAL A 53 -9.249 11.528 4.163 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.713 11.962 4.079 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.762 11.517 5.614 1.00 0.00 C ATOM 0 H VAL A 53 -6.994 10.518 3.762 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.700 9.466 4.026 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.652 12.257 3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.832 12.936 4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.013 12.030 3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.339 11.230 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.920 12.500 6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.319 10.769 6.179 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.700 11.274 5.639 1.00 0.00 H new ATOM 788 N ASP A 54 -8.455 10.422 1.181 1.00 0.00 N ATOM 789 CA ASP A 54 -8.686 10.441 -0.254 1.00 0.00 C ATOM 790 C ASP A 54 -8.640 9.010 -0.793 1.00 0.00 C ATOM 791 O ASP A 54 -9.563 8.570 -1.478 1.00 0.00 O ATOM 792 CB ASP A 54 -7.609 11.252 -0.974 1.00 0.00 C ATOM 793 CG ASP A 54 -7.899 11.549 -2.446 1.00 0.00 C ATOM 794 OD1 ASP A 54 -8.776 12.405 -2.690 1.00 0.00 O ATOM 795 OD2 ASP A 54 -7.236 10.915 -3.295 1.00 0.00 O ATOM 0 H ASP A 54 -7.498 10.636 1.462 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.660 10.896 -0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.475 12.197 -0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.664 10.713 -0.907 1.00 0.00 H new ATOM 800 N GLY A 55 -7.556 8.322 -0.463 1.00 0.00 N ATOM 801 CA GLY A 55 -7.379 6.949 -0.907 1.00 0.00 C ATOM 802 C GLY A 55 -8.491 6.050 -0.364 1.00 0.00 C ATOM 803 O GLY A 55 -9.163 5.357 -1.129 1.00 0.00 O ATOM 0 H GLY A 55 -6.793 8.689 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.376 6.913 -1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.410 6.577 -0.573 1.00 0.00 H new ATOM 807 N ARG A 56 -8.651 6.088 0.951 1.00 0.00 N ATOM 808 CA ARG A 56 -9.672 5.285 1.603 1.00 0.00 C ATOM 809 C ARG A 56 -9.490 3.807 1.250 1.00 0.00 C ATOM 810 O ARG A 56 -10.457 3.115 0.937 1.00 0.00 O ATOM 811 CB ARG A 56 -11.074 5.732 1.189 1.00 0.00 C ATOM 812 CG ARG A 56 -11.276 7.224 1.455 1.00 0.00 C ATOM 813 CD ARG A 56 -11.801 7.461 2.873 1.00 0.00 C ATOM 814 NE ARG A 56 -13.043 8.265 2.823 1.00 0.00 N ATOM 815 CZ ARG A 56 -14.245 7.769 2.495 1.00 0.00 C ATOM 816 NH1 ARG A 56 -14.373 6.474 2.183 1.00 0.00 N ATOM 817 NH2 ARG A 56 -15.318 8.571 2.477 1.00 0.00 N ATOM 0 H ARG A 56 -8.091 6.662 1.582 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.564 5.422 2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.228 5.524 0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.820 5.157 1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.332 7.752 1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.978 7.635 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.995 6.507 3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.047 7.977 3.468 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.981 9.257 3.052 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.556 5.863 2.195 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.288 6.097 1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.221 9.559 2.713 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.232 8.194 2.228 1.00 0.00 H new ATOM 831 N LEU A 57 -8.241 3.366 1.314 1.00 0.00 N ATOM 832 CA LEU A 57 -7.921 1.983 1.005 1.00 0.00 C ATOM 833 C LEU A 57 -8.451 1.079 2.118 1.00 0.00 C ATOM 834 O LEU A 57 -8.728 1.546 3.223 1.00 0.00 O ATOM 835 CB LEU A 57 -6.420 1.826 0.747 1.00 0.00 C ATOM 836 CG LEU A 57 -5.865 2.576 -0.465 1.00 0.00 C ATOM 837 CD1 LEU A 57 -4.334 2.579 -0.452 1.00 0.00 C ATOM 838 CD2 LEU A 57 -6.426 2.002 -1.768 1.00 0.00 C ATOM 0 H LEU A 57 -7.440 3.942 1.575 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.414 1.675 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.882 2.161 1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.202 0.765 0.624 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.190 3.615 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.964 3.118 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.979 3.068 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.968 1.553 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.016 2.553 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.150 0.951 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.512 2.093 -1.768 1.00 0.00 H new ATOM 850 N ALA A 58 -8.578 -0.198 1.790 1.00 0.00 N ATOM 851 CA ALA A 58 -9.072 -1.171 2.750 1.00 0.00 C ATOM 852 C ALA A 58 -7.968 -1.492 3.759 1.00 0.00 C ATOM 853 O ALA A 58 -6.788 -1.281 3.483 1.00 0.00 O ATOM 854 CB ALA A 58 -9.562 -2.417 2.008 1.00 0.00 C ATOM 0 H ALA A 58 -8.348 -0.582 0.873 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.919 -0.766 3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.933 -3.147 2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.365 -2.141 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.738 -2.851 1.442 1.00 0.00 H new ATOM 860 N ALA A 59 -8.390 -1.994 4.910 1.00 0.00 N ATOM 861 CA ALA A 59 -7.453 -2.344 5.964 1.00 0.00 C ATOM 862 C ALA A 59 -7.296 -3.866 6.016 1.00 0.00 C ATOM 863 O ALA A 59 -8.220 -4.576 6.410 1.00 0.00 O ATOM 864 CB ALA A 59 -7.936 -1.761 7.292 1.00 0.00 C ATOM 0 H ALA A 59 -9.369 -2.167 5.136 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.470 -1.918 5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.233 -2.024 8.082 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.001 -0.676 7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.919 -2.167 7.531 1.00 0.00 H new ATOM 870 N GLY A 60 -6.119 -4.323 5.613 1.00 0.00 N ATOM 871 CA GLY A 60 -5.830 -5.746 5.609 1.00 0.00 C ATOM 872 C GLY A 60 -5.583 -6.251 4.186 1.00 0.00 C ATOM 873 O GLY A 60 -5.723 -7.442 3.915 1.00 0.00 O ATOM 0 H GLY A 60 -5.354 -3.732 5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.954 -5.945 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.663 -6.291 6.053 1.00 0.00 H new ATOM 877 N ASP A 61 -5.221 -5.320 3.316 1.00 0.00 N ATOM 878 CA ASP A 61 -4.954 -5.657 1.929 1.00 0.00 C ATOM 879 C ASP A 61 -3.606 -6.377 1.833 1.00 0.00 C ATOM 880 O ASP A 61 -2.850 -6.418 2.803 1.00 0.00 O ATOM 881 CB ASP A 61 -4.881 -4.399 1.061 1.00 0.00 C ATOM 882 CG ASP A 61 -6.062 -3.440 1.214 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.188 -3.950 1.409 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.815 -2.217 1.131 1.00 0.00 O ATOM 0 H ASP A 61 -5.106 -4.333 3.545 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.765 -6.293 1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.963 -3.863 1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.810 -4.700 0.016 1.00 0.00 H new ATOM 889 N GLN A 62 -3.345 -6.923 0.654 1.00 0.00 N ATOM 890 CA GLN A 62 -2.102 -7.637 0.419 1.00 0.00 C ATOM 891 C GLN A 62 -1.244 -6.888 -0.603 1.00 0.00 C ATOM 892 O GLN A 62 -1.602 -6.804 -1.776 1.00 0.00 O ATOM 893 CB GLN A 62 -2.372 -9.072 -0.039 1.00 0.00 C ATOM 894 CG GLN A 62 -1.093 -9.734 -0.552 1.00 0.00 C ATOM 895 CD GLN A 62 -1.150 -11.252 -0.373 1.00 0.00 C ATOM 896 OE1 GLN A 62 -2.206 -11.845 -0.223 1.00 0.00 O ATOM 897 NE2 GLN A 62 0.040 -11.846 -0.400 1.00 0.00 N ATOM 0 H GLN A 62 -3.973 -6.885 -0.149 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.552 -7.688 1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.778 -9.652 0.790 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.126 -9.070 -0.826 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.953 -9.494 -1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.232 -9.333 -0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.885 -11.289 -0.529 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.107 -12.858 -0.291 1.00 0.00 H new ATOM 906 N LEU A 63 -0.128 -6.363 -0.119 1.00 0.00 N ATOM 907 CA LEU A 63 0.783 -5.622 -0.975 1.00 0.00 C ATOM 908 C LEU A 63 1.881 -6.562 -1.477 1.00 0.00 C ATOM 909 O LEU A 63 2.219 -7.539 -0.810 1.00 0.00 O ATOM 910 CB LEU A 63 1.317 -4.386 -0.248 1.00 0.00 C ATOM 911 CG LEU A 63 2.151 -3.421 -1.092 1.00 0.00 C ATOM 912 CD1 LEU A 63 1.381 -2.128 -1.367 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.508 -3.151 -0.437 1.00 0.00 C ATOM 0 H LEU A 63 0.166 -6.436 0.855 1.00 0.00 H new ATOM 0 HA LEU A 63 0.259 -5.245 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.470 -3.838 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.924 -4.718 0.595 1.00 0.00 H new ATOM 0 HG LEU A 63 2.346 -3.892 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.996 -1.459 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.462 -2.359 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.135 -1.643 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.081 -2.462 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.355 -2.711 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.055 -4.088 -0.335 1.00 0.00 H new ATOM 925 N LEU A 64 2.405 -6.235 -2.650 1.00 0.00 N ATOM 926 CA LEU A 64 3.458 -7.038 -3.248 1.00 0.00 C ATOM 927 C LEU A 64 4.475 -6.117 -3.922 1.00 0.00 C ATOM 928 O LEU A 64 5.673 -6.397 -3.911 1.00 0.00 O ATOM 929 CB LEU A 64 2.861 -8.087 -4.188 1.00 0.00 C ATOM 930 CG LEU A 64 2.907 -9.535 -3.694 1.00 0.00 C ATOM 931 CD1 LEU A 64 2.655 -9.608 -2.187 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.931 -10.413 -4.481 1.00 0.00 C ATOM 0 H LEU A 64 2.120 -5.426 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 64 3.994 -7.597 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.821 -7.823 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.386 -8.033 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 64 3.909 -9.926 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.693 -10.648 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.420 -9.035 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.673 -9.193 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.983 -11.437 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.917 -10.033 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.197 -10.395 -5.538 1.00 0.00 H new ATOM 944 N SER A 65 3.963 -5.036 -4.492 1.00 0.00 N ATOM 945 CA SER A 65 4.812 -4.072 -5.168 1.00 0.00 C ATOM 946 C SER A 65 4.776 -2.733 -4.430 1.00 0.00 C ATOM 947 O SER A 65 3.888 -2.494 -3.614 1.00 0.00 O ATOM 948 CB SER A 65 4.381 -3.885 -6.625 1.00 0.00 C ATOM 949 OG SER A 65 4.111 -2.521 -6.931 1.00 0.00 O ATOM 0 H SER A 65 2.969 -4.807 -4.499 1.00 0.00 H new ATOM 0 HA SER A 65 5.833 -4.455 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.165 -4.256 -7.285 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.491 -4.483 -6.819 1.00 0.00 H new ATOM 0 HG SER A 65 3.997 -2.419 -7.899 1.00 0.00 H new ATOM 955 N VAL A 66 5.754 -1.895 -4.743 1.00 0.00 N ATOM 956 CA VAL A 66 5.845 -0.586 -4.117 1.00 0.00 C ATOM 957 C VAL A 66 6.099 0.471 -5.193 1.00 0.00 C ATOM 958 O VAL A 66 6.538 0.147 -6.295 1.00 0.00 O ATOM 959 CB VAL A 66 6.918 -0.601 -3.027 1.00 0.00 C ATOM 960 CG1 VAL A 66 7.678 0.728 -2.987 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.309 -0.923 -1.662 1.00 0.00 C ATOM 0 H VAL A 66 6.489 -2.096 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 66 4.906 -0.330 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 66 7.631 -1.389 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.435 0.691 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.160 0.901 -3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.981 1.540 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.094 -0.927 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.565 -0.168 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.834 -1.903 -1.698 1.00 0.00 H new ATOM 971 N ASP A 67 5.814 1.714 -4.835 1.00 0.00 N ATOM 972 CA ASP A 67 6.007 2.822 -5.758 1.00 0.00 C ATOM 973 C ASP A 67 7.485 2.905 -6.145 1.00 0.00 C ATOM 974 O ASP A 67 8.357 2.925 -5.279 1.00 0.00 O ATOM 975 CB ASP A 67 5.612 4.151 -5.111 1.00 0.00 C ATOM 976 CG ASP A 67 5.623 5.356 -6.053 1.00 0.00 C ATOM 977 OD1 ASP A 67 6.404 5.308 -7.028 1.00 0.00 O ATOM 978 OD2 ASP A 67 4.850 6.299 -5.778 1.00 0.00 O ATOM 0 H ASP A 67 5.451 1.980 -3.919 1.00 0.00 H new ATOM 0 HA ASP A 67 5.381 2.646 -6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.613 4.049 -4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.291 4.350 -4.282 1.00 0.00 H new ATOM 983 N GLY A 68 7.719 2.950 -7.449 1.00 0.00 N ATOM 984 CA GLY A 68 9.076 3.031 -7.962 1.00 0.00 C ATOM 985 C GLY A 68 9.641 1.636 -8.240 1.00 0.00 C ATOM 986 O GLY A 68 10.445 1.458 -9.155 1.00 0.00 O ATOM 0 H GLY A 68 6.992 2.932 -8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.088 3.621 -8.878 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.711 3.548 -7.242 1.00 0.00 H new ATOM 990 N ARG A 69 9.198 0.682 -7.435 1.00 0.00 N ATOM 991 CA ARG A 69 9.649 -0.692 -7.583 1.00 0.00 C ATOM 992 C ARG A 69 8.471 -1.657 -7.427 1.00 0.00 C ATOM 993 O ARG A 69 7.909 -1.785 -6.342 1.00 0.00 O ATOM 994 CB ARG A 69 10.721 -1.034 -6.546 1.00 0.00 C ATOM 995 CG ARG A 69 11.948 -0.135 -6.708 1.00 0.00 C ATOM 996 CD ARG A 69 12.822 -0.170 -5.452 1.00 0.00 C ATOM 997 NE ARG A 69 14.186 -0.627 -5.798 1.00 0.00 N ATOM 998 CZ ARG A 69 14.515 -1.908 -6.019 1.00 0.00 C ATOM 999 NH1 ARG A 69 13.580 -2.865 -5.931 1.00 0.00 N ATOM 1000 NH2 ARG A 69 15.778 -2.233 -6.327 1.00 0.00 N ATOM 0 H ARG A 69 8.531 0.833 -6.678 1.00 0.00 H new ATOM 0 HA ARG A 69 10.078 -0.795 -8.580 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.311 -0.918 -5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.015 -2.078 -6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.530 -0.460 -7.570 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.630 0.889 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.865 0.821 -5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.382 -0.838 -4.711 1.00 0.00 H new ATOM 0 HE ARG A 69 14.921 0.076 -5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.619 -2.619 -5.696 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.830 -3.839 -6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.490 -1.506 -6.393 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.027 -3.208 -6.495 1.00 0.00 H new ATOM 1014 N SER A 70 8.135 -2.311 -8.530 1.00 0.00 N ATOM 1015 CA SER A 70 7.035 -3.261 -8.529 1.00 0.00 C ATOM 1016 C SER A 70 7.485 -4.582 -7.904 1.00 0.00 C ATOM 1017 O SER A 70 7.282 -5.648 -8.485 1.00 0.00 O ATOM 1018 CB SER A 70 6.509 -3.495 -9.946 1.00 0.00 C ATOM 1019 OG SER A 70 7.504 -4.055 -10.798 1.00 0.00 O ATOM 0 H SER A 70 8.604 -2.202 -9.429 1.00 0.00 H new ATOM 0 HA SER A 70 6.223 -2.844 -7.934 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.647 -4.162 -9.908 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.163 -2.550 -10.365 1.00 0.00 H new ATOM 0 HG SER A 70 7.798 -4.917 -10.435 1.00 0.00 H new ATOM 1025 N LEU A 71 8.089 -4.471 -6.731 1.00 0.00 N ATOM 1026 CA LEU A 71 8.569 -5.644 -6.021 1.00 0.00 C ATOM 1027 C LEU A 71 7.836 -6.883 -6.539 1.00 0.00 C ATOM 1028 O LEU A 71 8.465 -7.826 -7.016 1.00 0.00 O ATOM 1029 CB LEU A 71 8.446 -5.444 -4.510 1.00 0.00 C ATOM 1030 CG LEU A 71 8.013 -4.049 -4.051 1.00 0.00 C ATOM 1031 CD1 LEU A 71 7.212 -4.125 -2.749 1.00 0.00 C ATOM 1032 CD2 LEU A 71 9.218 -3.114 -3.927 1.00 0.00 C ATOM 0 H LEU A 71 8.257 -3.586 -6.254 1.00 0.00 H new ATOM 0 HA LEU A 71 9.631 -5.797 -6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.730 -6.170 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.409 -5.672 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 71 7.355 -3.628 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.916 -3.121 -2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.321 -4.734 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.827 -4.574 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.883 -2.130 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.920 -3.519 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.711 -3.026 -4.895 1.00 0.00 H new ATOM 1044 N VAL A 72 6.517 -6.841 -6.427 1.00 0.00 N ATOM 1045 CA VAL A 72 5.691 -7.947 -6.878 1.00 0.00 C ATOM 1046 C VAL A 72 5.514 -8.945 -5.733 1.00 0.00 C ATOM 1047 O VAL A 72 4.731 -9.888 -5.840 1.00 0.00 O ATOM 1048 CB VAL A 72 6.301 -8.579 -8.131 1.00 0.00 C ATOM 1049 CG1 VAL A 72 7.133 -9.814 -7.773 1.00 0.00 C ATOM 1050 CG2 VAL A 72 5.218 -8.925 -9.154 1.00 0.00 C ATOM 0 H VAL A 72 5.999 -6.057 -6.030 1.00 0.00 H new ATOM 0 HA VAL A 72 4.699 -7.593 -7.158 1.00 0.00 H new ATOM 0 HB VAL A 72 6.968 -7.846 -8.585 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.555 -10.244 -8.681 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.940 -9.526 -7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.497 -10.552 -7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.679 -9.373 -10.035 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.514 -9.632 -8.714 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.688 -8.018 -9.444 1.00 0.00 H new ATOM 1060 N GLY A 73 6.254 -8.703 -4.660 1.00 0.00 N ATOM 1061 CA GLY A 73 6.186 -9.569 -3.494 1.00 0.00 C ATOM 1062 C GLY A 73 7.520 -9.580 -2.743 1.00 0.00 C ATOM 1063 O GLY A 73 8.072 -10.645 -2.468 1.00 0.00 O ATOM 0 H GLY A 73 6.903 -7.921 -4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.392 -9.228 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.930 -10.582 -3.803 1.00 0.00 H new ATOM 1067 N LEU A 74 7.998 -8.384 -2.432 1.00 0.00 N ATOM 1068 CA LEU A 74 9.256 -8.243 -1.720 1.00 0.00 C ATOM 1069 C LEU A 74 8.989 -7.643 -0.338 1.00 0.00 C ATOM 1070 O LEU A 74 7.864 -7.251 -0.035 1.00 0.00 O ATOM 1071 CB LEU A 74 10.258 -7.443 -2.554 1.00 0.00 C ATOM 1072 CG LEU A 74 10.347 -7.816 -4.035 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.386 -6.955 -4.755 1.00 0.00 C ATOM 1074 CD2 LEU A 74 10.623 -9.312 -4.207 1.00 0.00 C ATOM 0 H LEU A 74 7.536 -7.504 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 74 9.716 -9.219 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.000 -6.387 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.246 -7.561 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 74 9.382 -7.611 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.430 -7.240 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.106 -5.905 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.364 -7.106 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.682 -9.551 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.567 -9.566 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.817 -9.886 -3.750 1.00 0.00 H new ATOM 1086 N SER A 75 10.042 -7.593 0.463 1.00 0.00 N ATOM 1087 CA SER A 75 9.937 -7.050 1.806 1.00 0.00 C ATOM 1088 C SER A 75 9.817 -5.525 1.747 1.00 0.00 C ATOM 1089 O SER A 75 10.249 -4.904 0.775 1.00 0.00 O ATOM 1090 CB SER A 75 11.138 -7.454 2.663 1.00 0.00 C ATOM 1091 OG SER A 75 10.863 -8.601 3.461 1.00 0.00 O ATOM 0 H SER A 75 10.974 -7.920 0.207 1.00 0.00 H new ATOM 0 HA SER A 75 9.041 -7.462 2.270 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.992 -7.658 2.017 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.419 -6.622 3.309 1.00 0.00 H new ATOM 0 HG SER A 75 11.655 -8.828 3.992 1.00 0.00 H new ATOM 1097 N GLN A 76 9.231 -4.965 2.794 1.00 0.00 N ATOM 1098 CA GLN A 76 9.052 -3.527 2.871 1.00 0.00 C ATOM 1099 C GLN A 76 10.409 -2.826 2.960 1.00 0.00 C ATOM 1100 O GLN A 76 10.486 -1.601 2.864 1.00 0.00 O ATOM 1101 CB GLN A 76 8.160 -3.149 4.056 1.00 0.00 C ATOM 1102 CG GLN A 76 8.971 -3.069 5.349 1.00 0.00 C ATOM 1103 CD GLN A 76 9.951 -4.240 5.454 1.00 0.00 C ATOM 1104 OE1 GLN A 76 9.614 -5.389 5.218 1.00 0.00 O ATOM 1105 NE2 GLN A 76 11.180 -3.886 5.823 1.00 0.00 N ATOM 0 H GLN A 76 8.874 -5.483 3.597 1.00 0.00 H new ATOM 0 HA GLN A 76 8.553 -3.193 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.681 -2.189 3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.365 -3.886 4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.519 -2.127 5.381 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.298 -3.075 6.206 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.395 -2.906 6.005 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.906 -4.595 5.923 1.00 0.00 H new ATOM 1114 N GLU A 77 11.444 -3.631 3.144 1.00 0.00 N ATOM 1115 CA GLU A 77 12.793 -3.103 3.248 1.00 0.00 C ATOM 1116 C GLU A 77 13.034 -2.044 2.170 1.00 0.00 C ATOM 1117 O GLU A 77 13.016 -0.849 2.456 1.00 0.00 O ATOM 1118 CB GLU A 77 13.830 -4.226 3.155 1.00 0.00 C ATOM 1119 CG GLU A 77 13.714 -5.179 4.347 1.00 0.00 C ATOM 1120 CD GLU A 77 14.694 -6.347 4.211 1.00 0.00 C ATOM 1121 OE1 GLU A 77 14.774 -6.892 3.090 1.00 0.00 O ATOM 1122 OE2 GLU A 77 15.338 -6.667 5.232 1.00 0.00 O ATOM 0 H GLU A 77 11.376 -4.646 3.224 1.00 0.00 H new ATOM 0 HA GLU A 77 12.903 -2.631 4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.689 -4.780 2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.832 -3.799 3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.914 -4.637 5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.695 -5.560 4.415 1.00 0.00 H new ATOM 1129 N ARG A 78 13.253 -2.523 0.955 1.00 0.00 N ATOM 1130 CA ARG A 78 13.497 -1.634 -0.168 1.00 0.00 C ATOM 1131 C ARG A 78 12.235 -0.830 -0.490 1.00 0.00 C ATOM 1132 O ARG A 78 12.314 0.358 -0.806 1.00 0.00 O ATOM 1133 CB ARG A 78 13.927 -2.417 -1.410 1.00 0.00 C ATOM 1134 CG ARG A 78 13.132 -3.718 -1.538 1.00 0.00 C ATOM 1135 CD ARG A 78 13.994 -4.925 -1.168 1.00 0.00 C ATOM 1136 NE ARG A 78 14.593 -5.514 -2.387 1.00 0.00 N ATOM 1137 CZ ARG A 78 15.656 -6.329 -2.383 1.00 0.00 C ATOM 1138 NH1 ARG A 78 16.244 -6.658 -1.225 1.00 0.00 N ATOM 1139 NH2 ARG A 78 16.132 -6.815 -3.537 1.00 0.00 N ATOM 0 H ARG A 78 13.267 -3.516 0.723 1.00 0.00 H new ATOM 0 HA ARG A 78 14.303 -0.956 0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.777 -1.806 -2.300 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.992 -2.641 -1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.257 -3.679 -0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.767 -3.827 -2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.780 -4.622 -0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.388 -5.671 -0.654 1.00 0.00 H new ATOM 0 HE ARG A 78 14.170 -5.285 -3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.882 -6.288 -0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.053 -7.279 -1.222 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.685 -6.564 -4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.941 -7.436 -3.534 1.00 0.00 H new ATOM 1153 N ALA A 79 11.102 -1.508 -0.403 1.00 0.00 N ATOM 1154 CA ALA A 79 9.824 -0.871 -0.682 1.00 0.00 C ATOM 1155 C ALA A 79 9.622 0.300 0.280 1.00 0.00 C ATOM 1156 O ALA A 79 9.932 1.443 -0.056 1.00 0.00 O ATOM 1157 CB ALA A 79 8.704 -1.909 -0.581 1.00 0.00 C ATOM 0 H ALA A 79 11.040 -2.492 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 79 9.808 -0.471 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.746 -1.432 -0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.879 -2.705 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.688 -2.330 0.424 1.00 0.00 H new ATOM 1163 N ALA A 80 9.105 -0.023 1.455 1.00 0.00 N ATOM 1164 CA ALA A 80 8.860 0.990 2.469 1.00 0.00 C ATOM 1165 C ALA A 80 9.615 2.268 2.101 1.00 0.00 C ATOM 1166 O ALA A 80 9.005 3.277 1.752 1.00 0.00 O ATOM 1167 CB ALA A 80 9.262 0.448 3.841 1.00 0.00 C ATOM 0 H ALA A 80 8.849 -0.972 1.729 1.00 0.00 H new ATOM 0 HA ALA A 80 7.799 1.237 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.078 1.208 4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.674 -0.441 4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.321 0.190 3.834 1.00 0.00 H new ATOM 1173 N GLU A 81 10.936 2.182 2.190 1.00 0.00 N ATOM 1174 CA GLU A 81 11.781 3.319 1.872 1.00 0.00 C ATOM 1175 C GLU A 81 11.268 4.028 0.617 1.00 0.00 C ATOM 1176 O GLU A 81 10.766 5.149 0.694 1.00 0.00 O ATOM 1177 CB GLU A 81 13.239 2.886 1.700 1.00 0.00 C ATOM 1178 CG GLU A 81 14.138 4.090 1.409 1.00 0.00 C ATOM 1179 CD GLU A 81 15.537 3.883 1.995 1.00 0.00 C ATOM 1180 OE1 GLU A 81 16.350 3.231 1.306 1.00 0.00 O ATOM 1181 OE2 GLU A 81 15.760 4.382 3.120 1.00 0.00 O ATOM 0 H GLU A 81 11.440 1.343 2.478 1.00 0.00 H new ATOM 0 HA GLU A 81 11.740 4.022 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.581 2.382 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.315 2.166 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.210 4.243 0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.693 4.991 1.830 1.00 0.00 H new ATOM 1188 N LEU A 82 11.412 3.346 -0.510 1.00 0.00 N ATOM 1189 CA LEU A 82 10.969 3.897 -1.780 1.00 0.00 C ATOM 1190 C LEU A 82 9.439 3.888 -1.829 1.00 0.00 C ATOM 1191 O LEU A 82 8.846 4.191 -2.864 1.00 0.00 O ATOM 1192 CB LEU A 82 11.625 3.153 -2.945 1.00 0.00 C ATOM 1193 CG LEU A 82 11.890 3.980 -4.204 1.00 0.00 C ATOM 1194 CD1 LEU A 82 10.748 4.964 -4.465 1.00 0.00 C ATOM 1195 CD2 LEU A 82 13.245 4.685 -4.121 1.00 0.00 C ATOM 0 H LEU A 82 11.829 2.417 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 82 11.286 4.935 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.573 2.740 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.990 2.309 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 82 11.931 3.301 -5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.962 5.539 -5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.817 4.413 -4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.650 5.641 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.409 5.266 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.257 5.350 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.036 3.942 -4.018 1.00 0.00 H new ATOM 1207 N MET A 83 8.845 3.538 -0.697 1.00 0.00 N ATOM 1208 CA MET A 83 7.396 3.485 -0.598 1.00 0.00 C ATOM 1209 C MET A 83 6.871 4.575 0.339 1.00 0.00 C ATOM 1210 O MET A 83 5.662 4.779 0.444 1.00 0.00 O ATOM 1211 CB MET A 83 6.969 2.111 -0.075 1.00 0.00 C ATOM 1212 CG MET A 83 5.542 1.779 -0.512 1.00 0.00 C ATOM 1213 SD MET A 83 4.897 0.442 0.480 1.00 0.00 S ATOM 1214 CE MET A 83 5.167 1.110 2.114 1.00 0.00 C ATOM 0 H MET A 83 9.341 3.289 0.159 1.00 0.00 H new ATOM 0 HA MET A 83 6.976 3.652 -1.590 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.654 1.348 -0.445 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.033 2.096 1.013 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.907 2.659 -0.409 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.531 1.500 -1.566 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.922 0.516 2.630 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.510 2.142 2.033 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.235 1.080 2.678 1.00 0.00 H new ATOM 1224 N THR A 84 7.805 5.245 0.996 1.00 0.00 N ATOM 1225 CA THR A 84 7.452 6.309 1.921 1.00 0.00 C ATOM 1226 C THR A 84 7.710 7.677 1.285 1.00 0.00 C ATOM 1227 O THR A 84 6.818 8.523 1.245 1.00 0.00 O ATOM 1228 CB THR A 84 8.232 6.086 3.218 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.218 4.670 3.393 1.00 0.00 O ATOM 1230 CG2 THR A 84 7.490 6.617 4.446 1.00 0.00 C ATOM 0 H THR A 84 8.806 5.072 0.907 1.00 0.00 H new ATOM 0 HA THR A 84 6.388 6.291 2.157 1.00 0.00 H new ATOM 0 HB THR A 84 9.206 6.570 3.143 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.941 4.268 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.087 6.433 5.339 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.323 7.688 4.335 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.531 6.108 4.540 1.00 0.00 H new ATOM 1238 N ARG A 85 8.931 7.849 0.805 1.00 0.00 N ATOM 1239 CA ARG A 85 9.317 9.098 0.173 1.00 0.00 C ATOM 1240 C ARG A 85 8.513 9.316 -1.110 1.00 0.00 C ATOM 1241 O ARG A 85 9.075 9.344 -2.203 1.00 0.00 O ATOM 1242 CB ARG A 85 10.811 9.109 -0.162 1.00 0.00 C ATOM 1243 CG ARG A 85 11.308 10.535 -0.410 1.00 0.00 C ATOM 1244 CD ARG A 85 12.808 10.550 -0.704 1.00 0.00 C ATOM 1245 NE ARG A 85 13.570 10.328 0.546 1.00 0.00 N ATOM 1246 CZ ARG A 85 13.691 11.238 1.522 1.00 0.00 C ATOM 1247 NH1 ARG A 85 13.103 12.434 1.400 1.00 0.00 N ATOM 1248 NH2 ARG A 85 14.402 10.949 2.622 1.00 0.00 N ATOM 0 H ARG A 85 9.667 7.144 0.841 1.00 0.00 H new ATOM 0 HA ARG A 85 9.108 9.903 0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.374 8.661 0.657 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.993 8.498 -1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.765 10.972 -1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.099 11.154 0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.052 9.776 -1.431 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.091 11.505 -1.148 1.00 0.00 H new ATOM 0 HE ARG A 85 14.031 9.427 0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.562 12.653 0.564 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.196 13.126 2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.850 10.037 2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.495 11.641 3.366 1.00 0.00 H new ATOM 1262 N THR A 86 7.207 9.464 -0.933 1.00 0.00 N ATOM 1263 CA THR A 86 6.319 9.677 -2.064 1.00 0.00 C ATOM 1264 C THR A 86 6.293 11.159 -2.449 1.00 0.00 C ATOM 1265 O THR A 86 6.536 11.508 -3.601 1.00 0.00 O ATOM 1266 CB THR A 86 4.944 9.120 -1.695 1.00 0.00 C ATOM 1267 OG1 THR A 86 4.830 7.932 -2.475 1.00 0.00 O ATOM 1268 CG2 THR A 86 3.800 10.005 -2.197 1.00 0.00 C ATOM 0 H THR A 86 6.744 9.441 -0.025 1.00 0.00 H new ATOM 0 HA THR A 86 6.672 9.150 -2.950 1.00 0.00 H new ATOM 0 HB THR A 86 4.874 9.014 -0.612 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.684 8.170 -3.414 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.846 9.564 -1.909 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.889 10.998 -1.757 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.850 10.083 -3.283 1.00 0.00 H new ATOM 1276 N SER A 87 5.994 11.988 -1.460 1.00 0.00 N ATOM 1277 CA SER A 87 5.931 13.424 -1.680 1.00 0.00 C ATOM 1278 C SER A 87 4.753 13.761 -2.595 1.00 0.00 C ATOM 1279 O SER A 87 3.869 14.529 -2.217 1.00 0.00 O ATOM 1280 CB SER A 87 7.237 13.945 -2.281 1.00 0.00 C ATOM 1281 OG SER A 87 7.446 15.322 -1.987 1.00 0.00 O ATOM 0 H SER A 87 5.793 11.694 -0.504 1.00 0.00 H new ATOM 0 HA SER A 87 5.785 13.913 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.072 13.361 -1.895 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.221 13.803 -3.362 1.00 0.00 H new ATOM 0 HG SER A 87 8.291 15.617 -2.386 1.00 0.00 H new ATOM 1287 N SER A 88 4.777 13.172 -3.781 1.00 0.00 N ATOM 1288 CA SER A 88 3.723 13.401 -4.753 1.00 0.00 C ATOM 1289 C SER A 88 2.552 12.451 -4.489 1.00 0.00 C ATOM 1290 O SER A 88 1.536 12.854 -3.925 1.00 0.00 O ATOM 1291 CB SER A 88 4.240 13.220 -6.181 1.00 0.00 C ATOM 1292 OG SER A 88 5.638 12.941 -6.210 1.00 0.00 O ATOM 0 H SER A 88 5.511 12.535 -4.091 1.00 0.00 H new ATOM 0 HA SER A 88 3.380 14.430 -4.648 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.698 12.407 -6.663 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.038 14.123 -6.757 1.00 0.00 H new ATOM 0 HG SER A 88 5.930 12.830 -7.139 1.00 0.00 H new ATOM 1298 N VAL A 89 2.734 11.208 -4.910 1.00 0.00 N ATOM 1299 CA VAL A 89 1.706 10.197 -4.724 1.00 0.00 C ATOM 1300 C VAL A 89 2.365 8.868 -4.349 1.00 0.00 C ATOM 1301 O VAL A 89 3.547 8.659 -4.618 1.00 0.00 O ATOM 1302 CB VAL A 89 0.837 10.101 -5.980 1.00 0.00 C ATOM 1303 CG1 VAL A 89 0.757 11.449 -6.698 1.00 0.00 C ATOM 1304 CG2 VAL A 89 1.351 9.009 -6.921 1.00 0.00 C ATOM 0 H VAL A 89 3.577 10.878 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 89 1.042 10.472 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.171 9.828 -5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.133 11.351 -7.587 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.322 12.192 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.758 11.766 -6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.716 8.962 -7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.374 9.239 -7.221 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.331 8.047 -6.408 1.00 0.00 H new ATOM 1314 N VAL A 90 1.571 8.003 -3.734 1.00 0.00 N ATOM 1315 CA VAL A 90 2.062 6.701 -3.319 1.00 0.00 C ATOM 1316 C VAL A 90 1.395 5.615 -4.167 1.00 0.00 C ATOM 1317 O VAL A 90 0.202 5.356 -4.023 1.00 0.00 O ATOM 1318 CB VAL A 90 1.835 6.511 -1.818 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.160 6.555 -1.054 1.00 0.00 C ATOM 1320 CG2 VAL A 90 0.855 7.550 -1.274 1.00 0.00 C ATOM 0 H VAL A 90 0.591 8.179 -3.513 1.00 0.00 H new ATOM 0 HA VAL A 90 3.137 6.628 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 90 1.394 5.526 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.971 6.418 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.813 5.759 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.641 7.520 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.712 7.391 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.255 8.550 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.102 7.451 -1.786 1.00 0.00 H new ATOM 1330 N THR A 91 2.196 5.011 -5.032 1.00 0.00 N ATOM 1331 CA THR A 91 1.698 3.958 -5.902 1.00 0.00 C ATOM 1332 C THR A 91 2.242 2.598 -5.461 1.00 0.00 C ATOM 1333 O THR A 91 3.412 2.292 -5.683 1.00 0.00 O ATOM 1334 CB THR A 91 2.066 4.323 -7.341 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.369 4.891 -7.232 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.208 5.462 -7.896 1.00 0.00 C ATOM 0 H THR A 91 3.185 5.230 -5.149 1.00 0.00 H new ATOM 0 HA THR A 91 0.613 3.873 -5.839 1.00 0.00 H new ATOM 0 HB THR A 91 1.957 3.445 -7.977 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.686 5.155 -8.121 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.511 5.680 -8.920 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.159 5.167 -7.883 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.342 6.352 -7.280 1.00 0.00 H new ATOM 1344 N LEU A 92 1.366 1.819 -4.843 1.00 0.00 N ATOM 1345 CA LEU A 92 1.744 0.498 -4.368 1.00 0.00 C ATOM 1346 C LEU A 92 0.768 -0.537 -4.929 1.00 0.00 C ATOM 1347 O LEU A 92 -0.380 -0.216 -5.231 1.00 0.00 O ATOM 1348 CB LEU A 92 1.846 0.486 -2.843 1.00 0.00 C ATOM 1349 CG LEU A 92 1.994 1.853 -2.169 1.00 0.00 C ATOM 1350 CD1 LEU A 92 3.105 2.671 -2.829 1.00 0.00 C ATOM 1351 CD2 LEU A 92 0.660 2.604 -2.154 1.00 0.00 C ATOM 0 H LEU A 92 0.396 2.077 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 92 2.736 0.231 -4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.956 0.000 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.699 -0.130 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 92 2.285 1.693 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.190 3.637 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.051 2.135 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.868 2.824 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.793 3.572 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.316 2.754 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.079 2.022 -1.604 1.00 0.00 H new ATOM 1363 N GLU A 93 1.260 -1.762 -5.050 1.00 0.00 N ATOM 1364 CA GLU A 93 0.447 -2.849 -5.568 1.00 0.00 C ATOM 1365 C GLU A 93 -0.162 -3.653 -4.417 1.00 0.00 C ATOM 1366 O GLU A 93 0.559 -4.301 -3.660 1.00 0.00 O ATOM 1367 CB GLU A 93 1.262 -3.750 -6.496 1.00 0.00 C ATOM 1368 CG GLU A 93 0.370 -4.389 -7.564 1.00 0.00 C ATOM 1369 CD GLU A 93 -0.221 -5.710 -7.066 1.00 0.00 C ATOM 1370 OE1 GLU A 93 -1.039 -5.645 -6.123 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.159 -6.753 -7.639 1.00 0.00 O ATOM 0 H GLU A 93 2.213 -2.025 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.366 -2.420 -6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.049 -3.167 -6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.753 -4.529 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.435 -3.703 -7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.950 -4.565 -8.470 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.481 -3.584 -4.321 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.193 -4.298 -3.275 1.00 0.00 C ATOM 1380 C VAL A 94 -3.182 -5.277 -3.912 1.00 0.00 C ATOM 1381 O VAL A 94 -3.444 -5.205 -5.113 1.00 0.00 O ATOM 1382 CB VAL A 94 -2.865 -3.303 -2.327 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -1.829 -2.608 -1.438 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -3.696 -2.279 -3.104 1.00 0.00 C ATOM 0 H VAL A 94 -2.076 -3.045 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.499 -4.884 -2.673 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.542 -3.861 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.332 -1.906 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.300 -3.354 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.116 -2.069 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.163 -1.584 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.049 -1.728 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.469 -2.795 -3.674 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.704 -6.167 -3.081 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.659 -7.156 -3.550 1.00 0.00 C ATOM 1396 C ALA A 95 -5.801 -7.274 -2.539 1.00 0.00 C ATOM 1397 O ALA A 95 -5.569 -7.282 -1.332 1.00 0.00 O ATOM 1398 CB ALA A 95 -3.941 -8.489 -3.777 1.00 0.00 C ATOM 0 H ALA A 95 -3.484 -6.224 -2.087 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.092 -6.852 -4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.656 -9.232 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.157 -8.358 -4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.497 -8.827 -2.841 1.00 0.00 H new