USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 648 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 76 THR OG1 : rot 165:sc= -3.43! USER MOD Set 1.2: A 79 ASN : amide:sc= -2.92! C(o=-6.4!,f=-4.2!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.39 K(o=-0.39,f=-2.8!) USER MOD Single : A 26 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.886 K(o=-0.89,f=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ -117:sc= -1.05 (180deg=-5.33!) USER MOD Single : A 38 TYR OH : rot 134:sc= 0.033 USER MOD Single : A 41 MET CE :methyl 151:sc= -4.32! (180deg=-7.35!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0287 USER MOD Single : A 48 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.47) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 90:sc=-0.000307 USER MOD Single : A 56 MET CE :methyl -171:sc= -0.113 (180deg=-0.357) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 178:sc= 0 (180deg=-0.00316) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -2.13 K(o=-2.1,f=-5.5!) USER MOD Single : A 68 GLN : amide:sc= -8.85! C(o=-8.8!,f=-3.4!) USER MOD Single : A 70 GLN : amide:sc= 0.41 K(o=0.41,f=-0.28) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.3!) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -33:sc= -2.63 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 69:sc= 0.279 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N PRO A 15 -2.288 16.185 -7.616 1.00 0.00 N ATOM 191 CA PRO A 15 -3.516 15.481 -7.289 1.00 0.00 C ATOM 192 C PRO A 15 -3.751 14.313 -8.249 1.00 0.00 C ATOM 193 O PRO A 15 -3.539 14.443 -9.454 1.00 0.00 O ATOM 194 CB PRO A 15 -4.606 16.537 -7.361 1.00 0.00 C ATOM 195 CG PRO A 15 -4.024 17.682 -8.175 1.00 0.00 C ATOM 196 CD PRO A 15 -2.523 17.467 -8.275 1.00 0.00 C ATOM 0 HA PRO A 15 -3.488 15.024 -6.300 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.504 16.139 -7.833 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.892 16.872 -6.364 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.472 17.711 -9.168 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.242 18.638 -7.699 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.194 17.444 -9.314 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.974 18.271 -7.785 1.00 0.00 H new ATOM 204 N VAL A 16 -4.184 13.198 -7.679 1.00 0.00 N ATOM 205 CA VAL A 16 -4.450 12.008 -8.469 1.00 0.00 C ATOM 206 C VAL A 16 -5.457 12.346 -9.570 1.00 0.00 C ATOM 207 O VAL A 16 -6.184 13.333 -9.469 1.00 0.00 O ATOM 208 CB VAL A 16 -4.918 10.870 -7.560 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.738 10.238 -6.820 1.00 0.00 C ATOM 210 CG2 VAL A 16 -5.984 11.358 -6.576 1.00 0.00 C ATOM 0 H VAL A 16 -4.357 13.094 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.539 11.663 -8.957 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.368 10.102 -8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.099 9.432 -6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.027 9.837 -7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.246 10.994 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.300 10.530 -5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.570 12.153 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.842 11.739 -7.129 1.00 0.00 H new ATOM 220 N THR A 17 -5.467 11.508 -10.596 1.00 0.00 N ATOM 221 CA THR A 17 -6.373 11.706 -11.715 1.00 0.00 C ATOM 222 C THR A 17 -7.095 10.401 -12.054 1.00 0.00 C ATOM 223 O THR A 17 -6.785 9.352 -11.492 1.00 0.00 O ATOM 224 CB THR A 17 -5.564 12.275 -12.883 1.00 0.00 C ATOM 225 OG1 THR A 17 -4.707 11.202 -13.266 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.603 13.382 -12.446 1.00 0.00 C ATOM 0 H THR A 17 -4.862 10.690 -10.676 1.00 0.00 H new ATOM 0 HA THR A 17 -7.159 12.420 -11.467 1.00 0.00 H new ATOM 0 HB THR A 17 -6.244 12.664 -13.640 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.147 11.483 -14.020 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.054 13.750 -13.313 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.169 14.200 -12.000 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.900 12.985 -11.713 1.00 0.00 H new ATOM 234 N GLY A 18 -8.044 10.508 -12.972 1.00 0.00 N ATOM 235 CA GLY A 18 -8.813 9.349 -13.393 1.00 0.00 C ATOM 236 C GLY A 18 -7.894 8.168 -13.711 1.00 0.00 C ATOM 237 O GLY A 18 -8.282 7.013 -13.545 1.00 0.00 O ATOM 0 H GLY A 18 -8.298 11.380 -13.436 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.514 9.068 -12.607 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.405 9.601 -14.273 1.00 0.00 H new ATOM 241 N GLU A 19 -6.693 8.499 -14.164 1.00 0.00 N ATOM 242 CA GLU A 19 -5.716 7.480 -14.507 1.00 0.00 C ATOM 243 C GLU A 19 -5.243 6.752 -13.247 1.00 0.00 C ATOM 244 O GLU A 19 -5.179 5.524 -13.221 1.00 0.00 O ATOM 245 CB GLU A 19 -4.535 8.087 -15.266 1.00 0.00 C ATOM 246 CG GLU A 19 -3.710 6.999 -15.958 1.00 0.00 C ATOM 247 CD GLU A 19 -3.428 7.368 -17.416 1.00 0.00 C ATOM 248 OE1 GLU A 19 -3.133 8.560 -17.652 1.00 0.00 O ATOM 249 OE2 GLU A 19 -3.515 6.451 -18.260 1.00 0.00 O ATOM 0 H GLU A 19 -6.375 9.458 -14.301 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.193 6.753 -15.165 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.901 8.798 -16.007 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.902 8.644 -14.575 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.769 6.858 -15.426 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.245 6.050 -15.916 1.00 0.00 H new ATOM 256 N GLN A 20 -4.922 7.541 -12.232 1.00 0.00 N ATOM 257 CA GLN A 20 -4.456 6.988 -10.972 1.00 0.00 C ATOM 258 C GLN A 20 -5.634 6.432 -10.168 1.00 0.00 C ATOM 259 O GLN A 20 -5.567 5.318 -9.651 1.00 0.00 O ATOM 260 CB GLN A 20 -3.687 8.035 -10.164 1.00 0.00 C ATOM 261 CG GLN A 20 -2.333 8.338 -10.808 1.00 0.00 C ATOM 262 CD GLN A 20 -1.281 8.665 -9.745 1.00 0.00 C ATOM 263 OE1 GLN A 20 -1.401 8.306 -8.586 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.248 9.364 -10.205 1.00 0.00 N ATOM 0 H GLN A 20 -4.976 8.559 -12.257 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.770 6.169 -11.189 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.274 8.951 -10.096 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.537 7.676 -9.146 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.006 7.481 -11.397 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.433 9.177 -11.496 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.211 9.632 -11.188 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.508 9.632 -9.574 1.00 0.00 H new ATOM 273 N ILE A 21 -6.686 7.234 -10.089 1.00 0.00 N ATOM 274 CA ILE A 21 -7.877 6.837 -9.357 1.00 0.00 C ATOM 275 C ILE A 21 -8.186 5.368 -9.654 1.00 0.00 C ATOM 276 O ILE A 21 -8.026 4.509 -8.788 1.00 0.00 O ATOM 277 CB ILE A 21 -9.037 7.784 -9.668 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.856 9.126 -8.954 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.381 7.133 -9.332 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.193 9.856 -8.813 1.00 0.00 C ATOM 0 H ILE A 21 -6.738 8.157 -10.520 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.709 6.918 -8.283 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.035 7.986 -10.739 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.421 8.962 -7.968 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.155 9.747 -9.512 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.189 7.827 -9.562 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.503 6.225 -9.922 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.409 6.883 -8.272 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.037 10.806 -8.303 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.613 10.040 -9.802 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.883 9.242 -8.234 1.00 0.00 H new ATOM 292 N GLU A 22 -8.623 5.124 -10.881 1.00 0.00 N ATOM 293 CA GLU A 22 -8.955 3.774 -11.302 1.00 0.00 C ATOM 294 C GLU A 22 -7.965 2.773 -10.705 1.00 0.00 C ATOM 295 O GLU A 22 -8.369 1.780 -10.101 1.00 0.00 O ATOM 296 CB GLU A 22 -8.989 3.669 -12.828 1.00 0.00 C ATOM 297 CG GLU A 22 -7.739 4.296 -13.449 1.00 0.00 C ATOM 298 CD GLU A 22 -6.737 3.220 -13.871 1.00 0.00 C ATOM 299 OE1 GLU A 22 -6.820 2.112 -13.299 1.00 0.00 O ATOM 300 OE2 GLU A 22 -5.912 3.529 -14.757 1.00 0.00 O ATOM 0 H GLU A 22 -8.755 5.839 -11.597 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.952 3.533 -10.932 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.060 2.622 -13.122 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.879 4.168 -13.211 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.020 4.895 -14.315 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.272 4.971 -12.732 1.00 0.00 H new ATOM 307 N VAL A 23 -6.687 3.067 -10.896 1.00 0.00 N ATOM 308 CA VAL A 23 -5.636 2.205 -10.383 1.00 0.00 C ATOM 309 C VAL A 23 -5.799 2.054 -8.870 1.00 0.00 C ATOM 310 O VAL A 23 -5.892 0.938 -8.360 1.00 0.00 O ATOM 311 CB VAL A 23 -4.266 2.754 -10.786 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.186 2.312 -9.796 1.00 0.00 C ATOM 313 CG2 VAL A 23 -3.906 2.337 -12.213 1.00 0.00 C ATOM 0 H VAL A 23 -6.356 3.890 -11.399 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.712 1.209 -10.818 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.320 3.842 -10.759 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.222 2.715 -10.105 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.432 2.682 -8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.134 1.223 -9.776 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.928 2.740 -12.474 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.879 1.249 -12.278 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.654 2.724 -12.905 1.00 0.00 H new ATOM 323 N PHE A 24 -5.828 3.192 -8.193 1.00 0.00 N ATOM 324 CA PHE A 24 -5.977 3.201 -6.748 1.00 0.00 C ATOM 325 C PHE A 24 -7.144 2.311 -6.312 1.00 0.00 C ATOM 326 O PHE A 24 -6.980 1.441 -5.459 1.00 0.00 O ATOM 327 CB PHE A 24 -6.272 4.645 -6.337 1.00 0.00 C ATOM 328 CG PHE A 24 -5.410 5.150 -5.178 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.721 4.805 -3.899 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.334 5.943 -5.425 1.00 0.00 C ATOM 331 CE1 PHE A 24 -4.922 5.274 -2.823 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.534 6.412 -4.349 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.846 6.067 -3.071 1.00 0.00 C ATOM 0 H PHE A 24 -5.751 4.116 -8.619 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.070 2.822 -6.278 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.121 5.295 -7.199 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.322 4.725 -6.057 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.576 4.174 -3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.087 6.217 -6.440 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.169 5.001 -1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.679 7.042 -4.546 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.238 6.423 -2.252 1.00 0.00 H new ATOM 343 N ALA A 25 -8.295 2.562 -6.918 1.00 0.00 N ATOM 344 CA ALA A 25 -9.488 1.794 -6.603 1.00 0.00 C ATOM 345 C ALA A 25 -9.115 0.319 -6.451 1.00 0.00 C ATOM 346 O ALA A 25 -9.207 -0.239 -5.359 1.00 0.00 O ATOM 347 CB ALA A 25 -10.542 2.020 -7.690 1.00 0.00 C ATOM 0 H ALA A 25 -8.427 3.285 -7.625 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.918 2.124 -5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.437 1.444 -7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.794 3.079 -7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.146 1.698 -8.653 1.00 0.00 H new ATOM 353 N ASN A 26 -8.701 -0.272 -7.563 1.00 0.00 N ATOM 354 CA ASN A 26 -8.314 -1.672 -7.566 1.00 0.00 C ATOM 355 C ASN A 26 -7.517 -1.980 -6.296 1.00 0.00 C ATOM 356 O ASN A 26 -7.806 -2.950 -5.598 1.00 0.00 O ATOM 357 CB ASN A 26 -7.427 -1.995 -8.770 1.00 0.00 C ATOM 358 CG ASN A 26 -8.191 -1.804 -10.082 1.00 0.00 C ATOM 359 OD1 ASN A 26 -9.084 -2.561 -10.426 1.00 0.00 O ATOM 360 ND2 ASN A 26 -7.794 -0.751 -10.791 1.00 0.00 N ATOM 0 H ASN A 26 -8.625 0.194 -8.467 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.222 -2.273 -7.615 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.547 -1.352 -8.761 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.071 -3.023 -8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.244 -0.536 -11.681 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.040 -0.158 -10.445 1.00 0.00 H new ATOM 367 N LYS A 27 -6.530 -1.135 -6.036 1.00 0.00 N ATOM 368 CA LYS A 27 -5.690 -1.305 -4.863 1.00 0.00 C ATOM 369 C LYS A 27 -6.557 -1.229 -3.605 1.00 0.00 C ATOM 370 O LYS A 27 -6.543 -2.143 -2.781 1.00 0.00 O ATOM 371 CB LYS A 27 -4.539 -0.297 -4.878 1.00 0.00 C ATOM 372 CG LYS A 27 -3.716 -0.423 -6.161 1.00 0.00 C ATOM 373 CD LYS A 27 -3.020 0.897 -6.498 1.00 0.00 C ATOM 374 CE LYS A 27 -1.498 0.739 -6.464 1.00 0.00 C ATOM 375 NZ LYS A 27 -1.024 0.030 -7.674 1.00 0.00 N ATOM 0 H LYS A 27 -6.293 -0.331 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.222 -2.289 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.936 0.715 -4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.897 -0.460 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.972 -1.211 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.365 -0.717 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.332 1.235 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.325 1.665 -5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.026 1.719 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.204 0.186 -5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.011 -0.069 -7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.461 -0.913 -7.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.288 0.573 -8.521 1.00 0.00 H new ATOM 389 N LEU A 28 -7.292 -0.132 -3.496 1.00 0.00 N ATOM 390 CA LEU A 28 -8.164 0.074 -2.352 1.00 0.00 C ATOM 391 C LEU A 28 -8.975 -1.198 -2.099 1.00 0.00 C ATOM 392 O LEU A 28 -8.828 -1.835 -1.057 1.00 0.00 O ATOM 393 CB LEU A 28 -9.026 1.322 -2.554 1.00 0.00 C ATOM 394 CG LEU A 28 -9.697 1.883 -1.299 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.695 2.009 -0.150 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.396 3.212 -1.598 1.00 0.00 C ATOM 0 H LEU A 28 -7.302 0.624 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.576 0.262 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.403 2.103 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.802 1.090 -3.284 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.466 1.179 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.199 2.410 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.284 1.027 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.888 2.680 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.865 3.589 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.664 3.936 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.158 3.059 -2.362 1.00 0.00 H new ATOM 408 N GLY A 29 -9.815 -1.530 -3.069 1.00 0.00 N ATOM 409 CA GLY A 29 -10.649 -2.715 -2.964 1.00 0.00 C ATOM 410 C GLY A 29 -11.787 -2.497 -1.964 1.00 0.00 C ATOM 411 O GLY A 29 -12.698 -1.711 -2.217 1.00 0.00 O ATOM 0 H GLY A 29 -9.936 -0.999 -3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.062 -2.962 -3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.042 -3.565 -2.651 1.00 0.00 H new ATOM 415 N GLU A 30 -11.696 -3.208 -0.849 1.00 0.00 N ATOM 416 CA GLU A 30 -12.706 -3.102 0.190 1.00 0.00 C ATOM 417 C GLU A 30 -12.227 -2.168 1.303 1.00 0.00 C ATOM 418 O GLU A 30 -12.910 -1.997 2.312 1.00 0.00 O ATOM 419 CB GLU A 30 -13.065 -4.481 0.748 1.00 0.00 C ATOM 420 CG GLU A 30 -11.929 -5.037 1.608 1.00 0.00 C ATOM 421 CD GLU A 30 -12.404 -6.233 2.437 1.00 0.00 C ATOM 422 OE1 GLU A 30 -12.929 -5.984 3.544 1.00 0.00 O ATOM 423 OE2 GLU A 30 -12.232 -7.369 1.944 1.00 0.00 O ATOM 0 H GLU A 30 -10.939 -3.859 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.609 -2.678 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.975 -4.411 1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.273 -5.167 -0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.099 -5.339 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.554 -4.257 2.270 1.00 0.00 H new ATOM 430 N GLN A 31 -11.056 -1.589 1.083 1.00 0.00 N ATOM 431 CA GLN A 31 -10.477 -0.677 2.055 1.00 0.00 C ATOM 432 C GLN A 31 -11.029 0.735 1.851 1.00 0.00 C ATOM 433 O GLN A 31 -10.652 1.662 2.567 1.00 0.00 O ATOM 434 CB GLN A 31 -8.950 -0.686 1.973 1.00 0.00 C ATOM 435 CG GLN A 31 -8.359 -1.777 2.870 1.00 0.00 C ATOM 436 CD GLN A 31 -7.498 -2.747 2.058 1.00 0.00 C ATOM 437 OE1 GLN A 31 -7.288 -2.584 0.867 1.00 0.00 O ATOM 438 NE2 GLN A 31 -7.014 -3.763 2.766 1.00 0.00 N ATOM 0 H GLN A 31 -10.492 -1.734 0.245 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.756 -1.015 3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.639 -0.850 0.941 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.560 0.287 2.273 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.757 -1.320 3.655 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.163 -2.324 3.362 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.229 -3.840 3.760 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.428 -4.466 2.315 1.00 0.00 H new ATOM 447 N TRP A 32 -11.913 0.856 0.871 1.00 0.00 N ATOM 448 CA TRP A 32 -12.520 2.140 0.565 1.00 0.00 C ATOM 449 C TRP A 32 -13.339 2.578 1.780 1.00 0.00 C ATOM 450 O TRP A 32 -13.533 3.771 2.005 1.00 0.00 O ATOM 451 CB TRP A 32 -13.349 2.061 -0.719 1.00 0.00 C ATOM 452 CG TRP A 32 -14.696 1.356 -0.547 1.00 0.00 C ATOM 453 CD1 TRP A 32 -14.987 0.067 -0.771 1.00 0.00 C ATOM 454 CD2 TRP A 32 -15.931 1.957 -0.102 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.314 -0.206 -0.505 1.00 0.00 N ATOM 456 CE2 TRP A 32 -16.906 0.980 -0.085 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.215 3.281 0.273 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.229 1.224 0.299 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.542 3.510 0.655 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.535 2.537 0.677 1.00 0.00 C ATOM 0 H TRP A 32 -12.223 0.086 0.279 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.755 2.893 0.372 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.524 3.071 -1.089 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.771 1.538 -1.481 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.273 -0.666 -1.116 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.775 -1.111 -0.599 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.468 4.061 0.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -18.974 0.442 0.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.813 4.512 0.953 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.538 2.793 0.984 1.00 0.00 H new ATOM 471 N LYS A 33 -13.798 1.588 2.532 1.00 0.00 N ATOM 472 CA LYS A 33 -14.592 1.857 3.719 1.00 0.00 C ATOM 473 C LYS A 33 -13.659 2.161 4.893 1.00 0.00 C ATOM 474 O LYS A 33 -14.106 2.619 5.944 1.00 0.00 O ATOM 475 CB LYS A 33 -15.561 0.704 3.987 1.00 0.00 C ATOM 476 CG LYS A 33 -16.761 1.177 4.811 1.00 0.00 C ATOM 477 CD LYS A 33 -18.076 0.725 4.173 1.00 0.00 C ATOM 478 CE LYS A 33 -19.216 0.745 5.193 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.440 1.320 4.592 1.00 0.00 N ATOM 0 H LYS A 33 -13.635 0.599 2.342 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.215 2.739 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.906 0.287 3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.043 -0.095 4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.689 0.782 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.746 2.264 4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.321 1.378 3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.962 -0.281 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.417 -0.268 5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.922 1.330 6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.697 2.193 5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.266 1.537 3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -21.219 0.635 4.668 1.00 0.00 H new ATOM 493 N ILE A 34 -12.380 1.894 4.676 1.00 0.00 N ATOM 494 CA ILE A 34 -11.380 2.134 5.703 1.00 0.00 C ATOM 495 C ILE A 34 -10.754 3.513 5.486 1.00 0.00 C ATOM 496 O ILE A 34 -10.213 4.107 6.418 1.00 0.00 O ATOM 497 CB ILE A 34 -10.360 0.994 5.735 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.053 -0.356 5.934 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.286 1.249 6.794 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.107 -1.512 5.606 1.00 0.00 C ATOM 0 H ILE A 34 -12.013 1.514 3.804 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.842 2.145 6.690 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.857 0.958 4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.396 -0.444 6.965 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.936 -0.413 5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.574 0.424 6.796 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.764 2.178 6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.754 1.327 7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.625 -2.459 5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.785 -1.435 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.237 -1.467 6.260 1.00 0.00 H new ATOM 512 N LEU A 35 -10.848 3.983 4.251 1.00 0.00 N ATOM 513 CA LEU A 35 -10.297 5.282 3.901 1.00 0.00 C ATOM 514 C LEU A 35 -11.406 6.334 3.958 1.00 0.00 C ATOM 515 O LEU A 35 -11.130 7.532 3.974 1.00 0.00 O ATOM 516 CB LEU A 35 -9.583 5.214 2.549 1.00 0.00 C ATOM 517 CG LEU A 35 -8.056 5.142 2.600 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.440 5.636 1.289 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.511 5.901 3.811 1.00 0.00 C ATOM 0 H LEU A 35 -11.297 3.488 3.480 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.537 5.580 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.950 4.341 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.866 6.091 1.966 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.767 4.098 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.354 5.574 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.792 5.015 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.735 6.671 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.423 5.834 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.809 6.948 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.912 5.463 4.725 1.00 0.00 H new ATOM 531 N ALA A 36 -12.638 5.847 3.989 1.00 0.00 N ATOM 532 CA ALA A 36 -13.790 6.731 4.044 1.00 0.00 C ATOM 533 C ALA A 36 -13.750 7.533 5.346 1.00 0.00 C ATOM 534 O ALA A 36 -13.882 8.756 5.331 1.00 0.00 O ATOM 535 CB ALA A 36 -15.072 5.908 3.906 1.00 0.00 C ATOM 0 H ALA A 36 -12.863 4.852 3.977 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.768 7.442 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.936 6.571 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.065 5.380 2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.130 5.185 4.720 1.00 0.00 H new ATOM 541 N PRO A 37 -13.563 6.793 6.472 1.00 0.00 N ATOM 542 CA PRO A 37 -13.504 7.422 7.780 1.00 0.00 C ATOM 543 C PRO A 37 -12.167 8.135 7.986 1.00 0.00 C ATOM 544 O PRO A 37 -11.924 8.714 9.043 1.00 0.00 O ATOM 545 CB PRO A 37 -13.733 6.292 8.771 1.00 0.00 C ATOM 546 CG PRO A 37 -13.449 5.007 8.010 1.00 0.00 C ATOM 547 CD PRO A 37 -13.404 5.343 6.528 1.00 0.00 C ATOM 0 HA PRO A 37 -14.255 8.202 7.905 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.074 6.389 9.633 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.755 6.305 9.148 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.502 4.574 8.332 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.223 4.266 8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.461 5.030 6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.200 4.836 5.983 1.00 0.00 H new ATOM 555 N TYR A 38 -11.334 8.070 6.957 1.00 0.00 N ATOM 556 CA TYR A 38 -10.027 8.703 7.012 1.00 0.00 C ATOM 557 C TYR A 38 -9.876 9.747 5.904 1.00 0.00 C ATOM 558 O TYR A 38 -8.859 10.434 5.827 1.00 0.00 O ATOM 559 CB TYR A 38 -9.007 7.585 6.784 1.00 0.00 C ATOM 560 CG TYR A 38 -8.623 6.825 8.055 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.451 5.835 8.545 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.448 7.129 8.713 1.00 0.00 C ATOM 563 CE1 TYR A 38 -9.090 5.120 9.741 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.087 6.414 9.909 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.925 5.445 10.364 1.00 0.00 C ATOM 566 OH TYR A 38 -7.584 4.769 11.494 1.00 0.00 O ATOM 0 H TYR A 38 -11.539 7.589 6.081 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.886 9.210 7.967 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.413 6.879 6.059 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.107 8.013 6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.370 5.597 8.031 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.800 7.903 8.330 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.729 4.344 10.135 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.171 6.642 10.433 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.641 4.507 11.447 1.00 0.00 H new ATOM 576 N LEU A 39 -10.905 9.834 5.073 1.00 0.00 N ATOM 577 CA LEU A 39 -10.900 10.783 3.972 1.00 0.00 C ATOM 578 C LEU A 39 -11.796 11.971 4.326 1.00 0.00 C ATOM 579 O LEU A 39 -11.975 12.880 3.516 1.00 0.00 O ATOM 580 CB LEU A 39 -11.286 10.089 2.665 1.00 0.00 C ATOM 581 CG LEU A 39 -10.126 9.571 1.812 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.072 8.881 2.681 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.632 8.660 0.692 1.00 0.00 C ATOM 0 H LEU A 39 -11.748 9.263 5.140 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.896 11.177 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.940 9.250 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.869 10.787 2.064 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.643 10.425 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.259 8.522 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.680 9.590 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.526 8.038 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.787 8.306 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.155 7.807 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.315 9.217 0.051 1.00 0.00 H new ATOM 595 N GLU A 40 -12.335 11.926 5.535 1.00 0.00 N ATOM 596 CA GLU A 40 -13.208 12.988 6.005 1.00 0.00 C ATOM 597 C GLU A 40 -14.462 13.070 5.133 1.00 0.00 C ATOM 598 O GLU A 40 -14.813 14.143 4.643 1.00 0.00 O ATOM 599 CB GLU A 40 -12.473 14.330 6.036 1.00 0.00 C ATOM 600 CG GLU A 40 -11.158 14.216 6.810 1.00 0.00 C ATOM 601 CD GLU A 40 -10.518 15.592 7.008 1.00 0.00 C ATOM 602 OE1 GLU A 40 -10.039 16.146 5.995 1.00 0.00 O ATOM 603 OE2 GLU A 40 -10.521 16.058 8.167 1.00 0.00 O ATOM 0 H GLU A 40 -12.184 11.171 6.204 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.513 12.755 7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.272 14.663 5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.107 15.086 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.341 13.753 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.470 13.565 6.271 1.00 0.00 H new ATOM 610 N MET A 41 -15.103 11.923 4.964 1.00 0.00 N ATOM 611 CA MET A 41 -16.310 11.851 4.158 1.00 0.00 C ATOM 612 C MET A 41 -17.560 11.938 5.036 1.00 0.00 C ATOM 613 O MET A 41 -17.469 12.234 6.226 1.00 0.00 O ATOM 614 CB MET A 41 -16.325 10.537 3.376 1.00 0.00 C ATOM 615 CG MET A 41 -15.018 10.343 2.603 1.00 0.00 C ATOM 616 SD MET A 41 -14.792 11.680 1.443 1.00 0.00 S ATOM 617 CE MET A 41 -15.204 10.843 -0.079 1.00 0.00 C ATOM 0 H MET A 41 -14.809 11.035 5.372 1.00 0.00 H new ATOM 0 HA MET A 41 -16.314 12.694 3.467 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.473 9.703 4.062 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.166 10.532 2.682 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.178 10.306 3.296 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.037 9.390 2.074 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.613 11.561 -0.790 1.00 0.00 H new ATOM 0 HE2 MET A 41 -14.307 10.388 -0.498 1.00 0.00 H new ATOM 0 HE3 MET A 41 -15.944 10.068 0.121 1.00 0.00 H new ATOM 627 N LYS A 42 -18.700 11.674 4.414 1.00 0.00 N ATOM 628 CA LYS A 42 -19.967 11.718 5.123 1.00 0.00 C ATOM 629 C LYS A 42 -20.543 10.303 5.219 1.00 0.00 C ATOM 630 O LYS A 42 -20.476 9.536 4.260 1.00 0.00 O ATOM 631 CB LYS A 42 -20.915 12.724 4.466 1.00 0.00 C ATOM 632 CG LYS A 42 -20.347 14.143 4.542 1.00 0.00 C ATOM 633 CD LYS A 42 -20.823 14.856 5.809 1.00 0.00 C ATOM 634 CE LYS A 42 -19.940 16.066 6.122 1.00 0.00 C ATOM 635 NZ LYS A 42 -20.623 16.975 7.069 1.00 0.00 N ATOM 0 H LYS A 42 -18.772 11.429 3.427 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.820 12.073 6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -21.078 12.449 3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.886 12.690 4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.258 14.104 4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.656 14.710 3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -21.856 15.179 5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.806 14.162 6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.993 15.733 6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.705 16.600 5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -20.010 17.791 7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.515 17.307 6.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -20.825 16.467 7.954 1.00 0.00 H new ATOM 649 N ASP A 43 -21.095 10.001 6.385 1.00 0.00 N ATOM 650 CA ASP A 43 -21.681 8.693 6.619 1.00 0.00 C ATOM 651 C ASP A 43 -22.656 8.366 5.486 1.00 0.00 C ATOM 652 O ASP A 43 -22.722 7.226 5.028 1.00 0.00 O ATOM 653 CB ASP A 43 -22.460 8.665 7.935 1.00 0.00 C ATOM 654 CG ASP A 43 -21.607 8.834 9.194 1.00 0.00 C ATOM 655 OD1 ASP A 43 -20.980 9.908 9.316 1.00 0.00 O ATOM 656 OD2 ASP A 43 -21.601 7.884 10.007 1.00 0.00 O ATOM 0 H ASP A 43 -21.149 10.640 7.178 1.00 0.00 H new ATOM 0 HA ASP A 43 -20.871 7.964 6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -23.210 9.456 7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -22.997 7.719 8.002 1.00 0.00 H new ATOM 661 N SER A 44 -23.390 9.387 5.067 1.00 0.00 N ATOM 662 CA SER A 44 -24.359 9.223 3.996 1.00 0.00 C ATOM 663 C SER A 44 -23.643 8.856 2.695 1.00 0.00 C ATOM 664 O SER A 44 -24.087 7.969 1.967 1.00 0.00 O ATOM 665 CB SER A 44 -25.189 10.493 3.805 1.00 0.00 C ATOM 666 OG SER A 44 -24.407 11.673 3.974 1.00 0.00 O ATOM 0 H SER A 44 -23.333 10.331 5.450 1.00 0.00 H new ATOM 0 HA SER A 44 -25.038 8.416 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 44 -25.631 10.491 2.809 1.00 0.00 H new ATOM 0 HB3 SER A 44 -26.013 10.499 4.519 1.00 0.00 H new ATOM 0 HG SER A 44 -24.973 12.462 3.842 1.00 0.00 H new ATOM 672 N GLU A 45 -22.548 9.557 2.441 1.00 0.00 N ATOM 673 CA GLU A 45 -21.767 9.316 1.240 1.00 0.00 C ATOM 674 C GLU A 45 -21.388 7.837 1.140 1.00 0.00 C ATOM 675 O GLU A 45 -21.628 7.198 0.117 1.00 0.00 O ATOM 676 CB GLU A 45 -20.521 10.204 1.208 1.00 0.00 C ATOM 677 CG GLU A 45 -20.644 11.282 0.130 1.00 0.00 C ATOM 678 CD GLU A 45 -19.447 12.235 0.169 1.00 0.00 C ATOM 679 OE1 GLU A 45 -19.211 12.805 1.256 1.00 0.00 O ATOM 680 OE2 GLU A 45 -18.796 12.372 -0.889 1.00 0.00 O ATOM 0 H GLU A 45 -22.183 10.292 3.047 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.379 9.573 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.379 10.673 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.639 9.593 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -20.709 10.814 -0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -21.566 11.844 0.276 1.00 0.00 H new ATOM 687 N ILE A 46 -20.803 7.335 2.218 1.00 0.00 N ATOM 688 CA ILE A 46 -20.389 5.943 2.265 1.00 0.00 C ATOM 689 C ILE A 46 -21.581 5.049 1.919 1.00 0.00 C ATOM 690 O ILE A 46 -21.432 4.061 1.202 1.00 0.00 O ATOM 691 CB ILE A 46 -19.750 5.620 3.617 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.513 6.487 3.861 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.434 4.127 3.732 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.186 6.569 5.353 1.00 0.00 C ATOM 0 H ILE A 46 -20.606 7.867 3.065 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.618 5.749 1.519 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.470 5.859 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.662 6.072 3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.683 7.489 3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -18.981 3.925 4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.355 3.552 3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.741 3.840 2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.303 7.191 5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.030 7.006 5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -17.992 5.568 5.739 1.00 0.00 H new ATOM 706 N ARG A 47 -22.736 5.428 2.445 1.00 0.00 N ATOM 707 CA ARG A 47 -23.953 4.672 2.200 1.00 0.00 C ATOM 708 C ARG A 47 -24.383 4.817 0.739 1.00 0.00 C ATOM 709 O ARG A 47 -24.924 3.881 0.151 1.00 0.00 O ATOM 710 CB ARG A 47 -25.089 5.149 3.108 1.00 0.00 C ATOM 711 CG ARG A 47 -24.853 4.714 4.556 1.00 0.00 C ATOM 712 CD ARG A 47 -26.168 4.318 5.231 1.00 0.00 C ATOM 713 NE ARG A 47 -25.912 3.888 6.624 1.00 0.00 N ATOM 714 CZ ARG A 47 -26.846 3.370 7.433 1.00 0.00 C ATOM 715 NH1 ARG A 47 -28.102 3.215 6.994 1.00 0.00 N ATOM 716 NH2 ARG A 47 -26.523 3.007 8.682 1.00 0.00 N ATOM 0 H ARG A 47 -22.855 6.248 3.040 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.743 3.625 2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -25.167 6.235 3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -26.037 4.745 2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -24.161 3.872 4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.385 5.526 5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -26.859 5.161 5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -26.644 3.511 4.674 1.00 0.00 H new ATOM 0 HE ARG A 47 -24.966 3.992 6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -28.348 3.491 6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -28.813 2.821 7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -25.567 3.125 9.016 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -27.234 2.613 9.298 1.00 0.00 H new ATOM 730 N GLN A 48 -24.127 5.997 0.194 1.00 0.00 N ATOM 731 CA GLN A 48 -24.480 6.276 -1.188 1.00 0.00 C ATOM 732 C GLN A 48 -23.634 5.424 -2.135 1.00 0.00 C ATOM 733 O GLN A 48 -24.168 4.630 -2.907 1.00 0.00 O ATOM 734 CB GLN A 48 -24.326 7.765 -1.503 1.00 0.00 C ATOM 735 CG GLN A 48 -25.442 8.583 -0.851 1.00 0.00 C ATOM 736 CD GLN A 48 -26.817 8.114 -1.330 1.00 0.00 C ATOM 737 OE1 GLN A 48 -27.678 7.733 -0.554 1.00 0.00 O ATOM 738 NE2 GLN A 48 -26.975 8.162 -2.650 1.00 0.00 N ATOM 0 H GLN A 48 -23.679 6.771 0.684 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.528 6.014 -1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.358 8.117 -1.148 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.343 7.915 -2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.380 8.490 0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -25.311 9.639 -1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.213 8.492 -3.243 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -27.858 7.869 -3.069 1.00 0.00 H new ATOM 747 N ILE A 49 -22.326 5.618 -2.045 1.00 0.00 N ATOM 748 CA ILE A 49 -21.400 4.877 -2.884 1.00 0.00 C ATOM 749 C ILE A 49 -21.787 3.397 -2.881 1.00 0.00 C ATOM 750 O ILE A 49 -21.928 2.786 -3.939 1.00 0.00 O ATOM 751 CB ILE A 49 -19.956 5.137 -2.448 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.526 6.563 -2.796 1.00 0.00 C ATOM 753 CG2 ILE A 49 -19.009 4.092 -3.040 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.454 7.064 -1.826 1.00 0.00 C ATOM 0 H ILE A 49 -21.886 6.278 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.463 5.220 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.904 5.041 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -19.141 6.592 -3.815 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.391 7.226 -2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -17.989 4.299 -2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.304 3.099 -2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.058 4.131 -4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.166 8.080 -2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.850 7.056 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.581 6.413 -1.880 1.00 0.00 H new ATOM 766 N GLU A 50 -21.948 2.864 -1.679 1.00 0.00 N ATOM 767 CA GLU A 50 -22.317 1.467 -1.523 1.00 0.00 C ATOM 768 C GLU A 50 -23.553 1.147 -2.366 1.00 0.00 C ATOM 769 O GLU A 50 -23.651 0.066 -2.946 1.00 0.00 O ATOM 770 CB GLU A 50 -22.552 1.122 -0.051 1.00 0.00 C ATOM 771 CG GLU A 50 -21.382 0.317 0.518 1.00 0.00 C ATOM 772 CD GLU A 50 -21.881 -0.810 1.424 1.00 0.00 C ATOM 773 OE1 GLU A 50 -22.917 -1.410 1.065 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.215 -1.046 2.455 1.00 0.00 O ATOM 0 H GLU A 50 -21.830 3.374 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.490 0.852 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.681 2.039 0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.474 0.550 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.793 -0.101 -0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.722 0.977 1.082 1.00 0.00 H new ATOM 781 N CYS A 51 -24.466 2.106 -2.407 1.00 0.00 N ATOM 782 CA CYS A 51 -25.692 1.940 -3.169 1.00 0.00 C ATOM 783 C CYS A 51 -25.369 2.149 -4.650 1.00 0.00 C ATOM 784 O CYS A 51 -25.693 1.306 -5.485 1.00 0.00 O ATOM 785 CB CYS A 51 -26.792 2.888 -2.685 1.00 0.00 C ATOM 786 SG CYS A 51 -28.433 2.245 -3.178 1.00 0.00 S ATOM 0 H CYS A 51 -24.381 3.001 -1.925 1.00 0.00 H new ATOM 0 HA CYS A 51 -26.081 0.933 -3.022 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.743 2.992 -1.601 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.639 3.881 -3.107 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.360 3.055 -2.761 1.00 0.00 H new ATOM 792 N ASP A 52 -24.735 3.278 -4.931 1.00 0.00 N ATOM 793 CA ASP A 52 -24.365 3.609 -6.296 1.00 0.00 C ATOM 794 C ASP A 52 -23.837 2.354 -6.995 1.00 0.00 C ATOM 795 O ASP A 52 -24.412 1.901 -7.983 1.00 0.00 O ATOM 796 CB ASP A 52 -23.261 4.668 -6.327 1.00 0.00 C ATOM 797 CG ASP A 52 -23.592 5.924 -7.135 1.00 0.00 C ATOM 798 OD1 ASP A 52 -23.365 5.885 -8.363 1.00 0.00 O ATOM 799 OD2 ASP A 52 -24.064 6.895 -6.505 1.00 0.00 O ATOM 0 H ASP A 52 -24.468 3.975 -4.236 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.250 3.997 -6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -23.032 4.963 -5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.358 4.217 -6.738 1.00 0.00 H new ATOM 804 N SER A 53 -22.748 1.829 -6.454 1.00 0.00 N ATOM 805 CA SER A 53 -22.135 0.636 -7.013 1.00 0.00 C ATOM 806 C SER A 53 -22.233 -0.520 -6.014 1.00 0.00 C ATOM 807 O SER A 53 -22.182 -0.305 -4.804 1.00 0.00 O ATOM 808 CB SER A 53 -20.674 0.890 -7.388 1.00 0.00 C ATOM 809 OG SER A 53 -20.096 1.931 -6.605 1.00 0.00 O ATOM 0 H SER A 53 -22.274 2.208 -5.634 1.00 0.00 H new ATOM 0 HA SER A 53 -22.674 0.370 -7.922 1.00 0.00 H new ATOM 0 HB2 SER A 53 -20.100 -0.027 -7.253 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.611 1.153 -8.444 1.00 0.00 H new ATOM 0 HG SER A 53 -19.696 1.548 -5.797 1.00 0.00 H new ATOM 815 N GLU A 54 -22.372 -1.720 -6.558 1.00 0.00 N ATOM 816 CA GLU A 54 -22.478 -2.909 -5.731 1.00 0.00 C ATOM 817 C GLU A 54 -21.099 -3.541 -5.531 1.00 0.00 C ATOM 818 O GLU A 54 -20.783 -4.019 -4.442 1.00 0.00 O ATOM 819 CB GLU A 54 -23.459 -3.914 -6.337 1.00 0.00 C ATOM 820 CG GLU A 54 -24.297 -4.588 -5.249 1.00 0.00 C ATOM 821 CD GLU A 54 -25.350 -3.626 -4.694 1.00 0.00 C ATOM 822 OE1 GLU A 54 -26.154 -3.130 -5.513 1.00 0.00 O ATOM 823 OE2 GLU A 54 -25.328 -3.409 -3.464 1.00 0.00 O ATOM 0 H GLU A 54 -22.414 -1.894 -7.562 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.867 -2.615 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -24.115 -3.406 -7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -22.910 -4.670 -6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.786 -5.472 -5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -23.647 -4.927 -4.442 1.00 0.00 H new ATOM 830 N ASP A 55 -20.315 -3.523 -6.598 1.00 0.00 N ATOM 831 CA ASP A 55 -18.977 -4.088 -6.554 1.00 0.00 C ATOM 832 C ASP A 55 -18.095 -3.230 -5.644 1.00 0.00 C ATOM 833 O ASP A 55 -18.351 -2.040 -5.470 1.00 0.00 O ATOM 834 CB ASP A 55 -18.341 -4.109 -7.946 1.00 0.00 C ATOM 835 CG ASP A 55 -18.687 -5.333 -8.796 1.00 0.00 C ATOM 836 OD1 ASP A 55 -19.442 -6.186 -8.282 1.00 0.00 O ATOM 837 OD2 ASP A 55 -18.188 -5.387 -9.941 1.00 0.00 O ATOM 0 H ASP A 55 -20.581 -3.126 -7.499 1.00 0.00 H new ATOM 0 HA ASP A 55 -19.054 -5.108 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.650 -3.213 -8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.258 -4.057 -7.835 1.00 0.00 H new ATOM 842 N MET A 56 -17.076 -3.868 -5.088 1.00 0.00 N ATOM 843 CA MET A 56 -16.155 -3.179 -4.201 1.00 0.00 C ATOM 844 C MET A 56 -15.265 -2.210 -4.981 1.00 0.00 C ATOM 845 O MET A 56 -15.127 -1.047 -4.604 1.00 0.00 O ATOM 846 CB MET A 56 -15.282 -4.203 -3.474 1.00 0.00 C ATOM 847 CG MET A 56 -15.391 -4.039 -1.957 1.00 0.00 C ATOM 848 SD MET A 56 -16.902 -4.788 -1.370 1.00 0.00 S ATOM 849 CE MET A 56 -16.372 -5.329 0.247 1.00 0.00 C ATOM 0 H MET A 56 -16.868 -4.856 -5.235 1.00 0.00 H new ATOM 0 HA MET A 56 -16.736 -2.607 -3.478 1.00 0.00 H new ATOM 0 HB2 MET A 56 -15.586 -5.211 -3.757 1.00 0.00 H new ATOM 0 HB3 MET A 56 -14.243 -4.085 -3.782 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.533 -4.502 -1.470 1.00 0.00 H new ATOM 0 HG3 MET A 56 -15.374 -2.981 -1.695 1.00 0.00 H new ATOM 0 HE1 MET A 56 -17.143 -5.958 0.691 1.00 0.00 H new ATOM 0 HE2 MET A 56 -15.447 -5.899 0.155 1.00 0.00 H new ATOM 0 HE3 MET A 56 -16.201 -4.461 0.883 1.00 0.00 H new ATOM 859 N LYS A 57 -14.682 -2.725 -6.054 1.00 0.00 N ATOM 860 CA LYS A 57 -13.808 -1.919 -6.890 1.00 0.00 C ATOM 861 C LYS A 57 -14.469 -0.565 -7.155 1.00 0.00 C ATOM 862 O LYS A 57 -13.898 0.479 -6.846 1.00 0.00 O ATOM 863 CB LYS A 57 -13.434 -2.681 -8.163 1.00 0.00 C ATOM 864 CG LYS A 57 -12.335 -3.709 -7.884 1.00 0.00 C ATOM 865 CD LYS A 57 -11.925 -4.435 -9.167 1.00 0.00 C ATOM 866 CE LYS A 57 -11.929 -5.951 -8.964 1.00 0.00 C ATOM 867 NZ LYS A 57 -11.100 -6.614 -9.995 1.00 0.00 N ATOM 0 H LYS A 57 -14.798 -3.690 -6.364 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.867 -1.719 -6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.315 -3.184 -8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.095 -1.979 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.468 -3.211 -7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.687 -4.433 -7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.609 -4.171 -9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.931 -4.108 -9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.547 -6.192 -7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.951 -6.328 -9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.114 -7.643 -9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.481 -6.399 -10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.122 -6.267 -9.930 1.00 0.00 H new ATOM 881 N MET A 58 -15.664 -0.627 -7.725 1.00 0.00 N ATOM 882 CA MET A 58 -16.408 0.581 -8.035 1.00 0.00 C ATOM 883 C MET A 58 -16.504 1.496 -6.812 1.00 0.00 C ATOM 884 O MET A 58 -16.088 2.652 -6.863 1.00 0.00 O ATOM 885 CB MET A 58 -17.816 0.208 -8.505 1.00 0.00 C ATOM 886 CG MET A 58 -17.812 -0.200 -9.980 1.00 0.00 C ATOM 887 SD MET A 58 -18.717 0.997 -10.946 1.00 0.00 S ATOM 888 CE MET A 58 -17.566 2.361 -10.907 1.00 0.00 C ATOM 0 H MET A 58 -16.135 -1.495 -7.980 1.00 0.00 H new ATOM 0 HA MET A 58 -15.881 1.116 -8.825 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.200 -0.612 -7.898 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.488 1.054 -8.360 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.787 -0.273 -10.343 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.261 -1.187 -10.094 1.00 0.00 H new ATOM 0 HE1 MET A 58 -17.961 3.188 -11.497 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.423 2.687 -9.877 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.610 2.043 -11.323 1.00 0.00 H new ATOM 898 N ARG A 59 -17.055 0.943 -5.741 1.00 0.00 N ATOM 899 CA ARG A 59 -17.210 1.694 -4.508 1.00 0.00 C ATOM 900 C ARG A 59 -15.936 2.485 -4.203 1.00 0.00 C ATOM 901 O ARG A 59 -16.001 3.662 -3.854 1.00 0.00 O ATOM 902 CB ARG A 59 -17.519 0.765 -3.332 1.00 0.00 C ATOM 903 CG ARG A 59 -18.934 0.192 -3.442 1.00 0.00 C ATOM 904 CD ARG A 59 -19.156 -0.921 -2.417 1.00 0.00 C ATOM 905 NE ARG A 59 -20.576 -1.337 -2.421 1.00 0.00 N ATOM 906 CZ ARG A 59 -21.080 -2.297 -1.634 1.00 0.00 C ATOM 907 NH1 ARG A 59 -20.283 -2.947 -0.776 1.00 0.00 N ATOM 908 NH2 ARG A 59 -22.382 -2.609 -1.707 1.00 0.00 N ATOM 0 H ARG A 59 -17.399 -0.016 -5.702 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.045 2.382 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.794 -0.049 -3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.416 1.312 -2.395 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.665 0.986 -3.286 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.095 -0.197 -4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.518 -1.774 -2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.873 -0.573 -1.423 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.211 -0.863 -3.063 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.292 -2.711 -0.722 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.667 -3.678 -0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.989 -2.115 -2.362 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -22.766 -3.340 -1.108 1.00 0.00 H new ATOM 922 N ALA A 60 -14.808 1.805 -4.346 1.00 0.00 N ATOM 923 CA ALA A 60 -13.521 2.429 -4.091 1.00 0.00 C ATOM 924 C ALA A 60 -13.322 3.594 -5.061 1.00 0.00 C ATOM 925 O ALA A 60 -13.003 4.707 -4.644 1.00 0.00 O ATOM 926 CB ALA A 60 -12.413 1.380 -4.205 1.00 0.00 C ATOM 0 H ALA A 60 -14.759 0.828 -4.635 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.485 2.833 -3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.448 1.848 -4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.584 0.589 -3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.417 0.954 -5.208 1.00 0.00 H new ATOM 932 N LYS A 61 -13.520 3.300 -6.338 1.00 0.00 N ATOM 933 CA LYS A 61 -13.366 4.309 -7.371 1.00 0.00 C ATOM 934 C LYS A 61 -14.255 5.510 -7.041 1.00 0.00 C ATOM 935 O LYS A 61 -13.771 6.636 -6.939 1.00 0.00 O ATOM 936 CB LYS A 61 -13.634 3.707 -8.753 1.00 0.00 C ATOM 937 CG LYS A 61 -13.087 4.611 -9.860 1.00 0.00 C ATOM 938 CD LYS A 61 -14.028 4.631 -11.066 1.00 0.00 C ATOM 939 CE LYS A 61 -13.486 5.542 -12.169 1.00 0.00 C ATOM 940 NZ LYS A 61 -14.383 5.521 -13.346 1.00 0.00 N ATOM 0 H LYS A 61 -13.786 2.377 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.338 4.670 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.171 2.722 -8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.706 3.566 -8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.959 5.624 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.102 4.260 -10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.151 3.619 -11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.015 4.976 -10.756 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.392 6.561 -11.794 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.487 5.216 -12.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.000 6.145 -14.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.451 4.550 -13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.328 5.853 -13.068 1.00 0.00 H new ATOM 954 N GLN A 62 -15.541 5.229 -6.883 1.00 0.00 N ATOM 955 CA GLN A 62 -16.501 6.271 -6.567 1.00 0.00 C ATOM 956 C GLN A 62 -15.966 7.164 -5.445 1.00 0.00 C ATOM 957 O GLN A 62 -16.051 8.388 -5.527 1.00 0.00 O ATOM 958 CB GLN A 62 -17.858 5.671 -6.191 1.00 0.00 C ATOM 959 CG GLN A 62 -18.595 5.162 -7.431 1.00 0.00 C ATOM 960 CD GLN A 62 -19.692 6.140 -7.857 1.00 0.00 C ATOM 961 OE1 GLN A 62 -20.876 5.855 -7.784 1.00 0.00 O ATOM 962 NE2 GLN A 62 -19.234 7.306 -8.304 1.00 0.00 N ATOM 0 H GLN A 62 -15.939 4.294 -6.968 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.646 6.886 -7.455 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.715 4.851 -5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.465 6.423 -5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.887 5.025 -8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.034 4.186 -7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -18.230 7.480 -8.339 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -19.887 8.026 -8.612 1.00 0.00 H new ATOM 971 N LEU A 63 -15.427 6.515 -4.423 1.00 0.00 N ATOM 972 CA LEU A 63 -14.878 7.235 -3.286 1.00 0.00 C ATOM 973 C LEU A 63 -13.744 8.144 -3.763 1.00 0.00 C ATOM 974 O LEU A 63 -13.832 9.365 -3.646 1.00 0.00 O ATOM 975 CB LEU A 63 -14.461 6.258 -2.185 1.00 0.00 C ATOM 976 CG LEU A 63 -13.671 6.858 -1.020 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.524 7.857 -0.235 1.00 0.00 C ATOM 978 CD2 LEU A 63 -13.102 5.759 -0.120 1.00 0.00 C ATOM 0 H LEU A 63 -15.359 5.499 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.636 7.878 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.359 5.787 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.861 5.468 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.825 7.410 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.938 8.268 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.839 8.665 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.403 7.351 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.545 6.212 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.918 5.160 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.437 5.121 -0.701 1.00 0.00 H new ATOM 990 N LEU A 64 -12.704 7.514 -4.290 1.00 0.00 N ATOM 991 CA LEU A 64 -11.554 8.251 -4.785 1.00 0.00 C ATOM 992 C LEU A 64 -12.036 9.454 -5.597 1.00 0.00 C ATOM 993 O LEU A 64 -11.496 10.552 -5.468 1.00 0.00 O ATOM 994 CB LEU A 64 -10.616 7.323 -5.559 1.00 0.00 C ATOM 995 CG LEU A 64 -9.700 6.436 -4.712 1.00 0.00 C ATOM 996 CD1 LEU A 64 -10.013 6.591 -3.222 1.00 0.00 C ATOM 997 CD2 LEU A 64 -9.778 4.977 -5.165 1.00 0.00 C ATOM 0 H LEU A 64 -12.634 6.501 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.965 8.641 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.220 6.680 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.994 7.932 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.672 6.765 -4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.349 5.950 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.866 7.630 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.048 6.304 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.118 4.368 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.802 4.619 -5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.469 4.903 -6.208 1.00 0.00 H new ATOM 1009 N VAL A 65 -13.048 9.208 -6.417 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.609 10.258 -7.250 1.00 0.00 C ATOM 1011 C VAL A 65 -14.157 11.373 -6.358 1.00 0.00 C ATOM 1012 O VAL A 65 -13.726 12.521 -6.457 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.664 9.672 -8.191 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.182 10.734 -9.163 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -14.113 8.460 -8.945 1.00 0.00 C ATOM 0 H VAL A 65 -13.494 8.297 -6.522 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.837 10.697 -7.882 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.505 9.335 -7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.930 10.291 -9.820 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.631 11.553 -8.601 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.354 11.115 -9.761 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.883 8.063 -9.607 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.247 8.761 -9.535 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.816 7.692 -8.231 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.099 10.996 -5.506 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.711 11.951 -4.596 1.00 0.00 C ATOM 1027 C ALA A 66 -14.620 12.631 -3.768 1.00 0.00 C ATOM 1028 O ALA A 66 -14.646 13.846 -3.579 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.744 11.234 -3.724 1.00 0.00 C ATOM 0 H ALA A 66 -15.454 10.043 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.236 12.729 -5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.203 11.949 -3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.513 10.793 -4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.253 10.448 -3.150 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.686 11.818 -3.296 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.588 12.326 -2.492 1.00 0.00 C ATOM 1037 C TRP A 67 -11.753 13.262 -3.369 1.00 0.00 C ATOM 1038 O TRP A 67 -11.151 14.212 -2.872 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.769 11.180 -1.894 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.419 11.613 -1.320 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.169 12.157 -0.121 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.136 11.514 -1.973 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.824 12.416 0.046 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.175 12.012 -1.116 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.797 11.021 -3.245 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.814 12.065 -1.438 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.433 11.081 -3.552 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.454 11.579 -2.700 1.00 0.00 C ATOM 0 H TRP A 67 -13.667 10.811 -3.455 1.00 0.00 H new ATOM 0 HA TRP A 67 -12.965 12.891 -1.639 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.352 10.704 -1.105 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.600 10.427 -2.664 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.925 12.366 0.621 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.386 12.828 0.870 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.532 10.627 -3.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.081 12.460 -0.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.119 10.715 -4.518 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.420 11.591 -3.011 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.745 12.960 -4.660 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.995 13.763 -5.611 1.00 0.00 C ATOM 1061 C GLN A 68 -11.779 15.025 -5.975 1.00 0.00 C ATOM 1062 O GLN A 68 -11.192 16.035 -6.361 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.650 12.951 -6.861 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.858 13.795 -7.861 1.00 0.00 C ATOM 1065 CD GLN A 68 -9.510 12.983 -9.111 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -10.201 13.016 -10.116 1.00 0.00 O ATOM 1067 NE2 GLN A 68 -8.404 12.254 -8.992 1.00 0.00 N ATOM 0 H GLN A 68 -12.246 12.171 -5.069 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.058 14.064 -5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.069 12.073 -6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.566 12.590 -7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.440 14.672 -8.143 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.943 14.157 -7.392 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.872 12.273 -8.122 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.088 11.676 -9.771 1.00 0.00 H new ATOM 1076 N ASP A 69 -13.093 14.926 -5.841 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.964 16.047 -6.152 1.00 0.00 C ATOM 1078 C ASP A 69 -14.106 16.935 -4.914 1.00 0.00 C ATOM 1079 O ASP A 69 -14.278 18.147 -5.031 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.360 15.566 -6.553 1.00 0.00 C ATOM 1081 CG ASP A 69 -16.113 16.493 -7.509 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -16.464 17.606 -7.062 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -16.320 16.067 -8.666 1.00 0.00 O ATOM 0 H ASP A 69 -13.576 14.087 -5.521 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.521 16.598 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.270 14.584 -7.018 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.957 15.437 -5.650 1.00 0.00 H new ATOM 1088 N GLN A 70 -14.030 16.296 -3.755 1.00 0.00 N ATOM 1089 CA GLN A 70 -14.149 17.012 -2.497 1.00 0.00 C ATOM 1090 C GLN A 70 -12.854 17.767 -2.191 1.00 0.00 C ATOM 1091 O GLN A 70 -12.829 18.997 -2.207 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.511 16.059 -1.356 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.993 16.586 -0.016 1.00 0.00 C ATOM 1094 CD GLN A 70 -14.920 16.177 1.130 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -16.126 16.354 1.080 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -14.292 15.622 2.163 1.00 0.00 N ATOM 0 H GLN A 70 -13.887 15.290 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.956 17.738 -2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.593 15.937 -1.309 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.087 15.074 -1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.990 16.200 0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.914 17.672 -0.055 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.279 15.503 2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.823 15.315 2.978 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.809 16.999 -1.920 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.513 17.579 -1.612 1.00 0.00 C ATOM 1107 C GLU A 71 -10.075 18.526 -2.731 1.00 0.00 C ATOM 1108 O GLU A 71 -9.286 19.441 -2.502 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.466 16.489 -1.374 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.752 15.727 -0.079 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.837 16.203 1.051 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -8.952 17.394 1.411 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -8.042 15.364 1.528 1.00 0.00 O ATOM 0 H GLU A 71 -11.834 15.979 -1.907 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.605 18.155 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.461 15.795 -2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.474 16.938 -1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.794 15.869 0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.609 14.659 -0.242 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.606 18.273 -3.918 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.280 19.091 -5.074 1.00 0.00 C ATOM 1122 C GLY A 72 -8.894 18.742 -5.618 1.00 0.00 C ATOM 1123 O GLY A 72 -8.639 17.598 -5.992 1.00 0.00 O ATOM 0 H GLY A 72 -11.260 17.513 -4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.028 18.942 -5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.312 20.145 -4.799 1.00 0.00 H new ATOM 1127 N VAL A 73 -8.034 19.750 -5.646 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.679 19.565 -6.139 1.00 0.00 C ATOM 1129 C VAL A 73 -5.798 19.031 -5.008 1.00 0.00 C ATOM 1130 O VAL A 73 -4.627 18.721 -5.222 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.157 20.872 -6.738 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -7.180 21.482 -7.699 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.777 21.865 -5.638 1.00 0.00 C ATOM 0 H VAL A 73 -8.249 20.697 -5.335 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.662 18.827 -6.941 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.257 20.644 -7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.784 22.410 -8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.380 20.782 -8.510 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.105 21.689 -7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.409 22.786 -6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.653 22.085 -5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.998 21.432 -5.011 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.395 18.941 -3.828 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.679 18.450 -2.663 1.00 0.00 C ATOM 1145 C HIS A 74 -5.639 16.921 -2.691 1.00 0.00 C ATOM 1146 O HIS A 74 -4.858 16.303 -1.969 1.00 0.00 O ATOM 1147 CB HIS A 74 -6.293 19.003 -1.375 1.00 0.00 C ATOM 1148 CG HIS A 74 -5.802 20.382 -1.003 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -5.517 20.750 0.300 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -5.548 21.476 -1.777 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -5.112 22.011 0.299 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -5.132 22.459 -0.989 1.00 0.00 N ATOM 0 H HIS A 74 -7.366 19.200 -3.654 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.649 18.806 -2.689 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.377 19.032 -1.485 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.074 18.317 -0.557 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.666 21.532 -2.849 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.818 22.584 1.166 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -4.870 23.396 -1.296 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.491 16.354 -3.534 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.562 14.909 -3.666 1.00 0.00 C ATOM 1162 C ALA A 75 -5.258 14.392 -4.276 1.00 0.00 C ATOM 1163 O ALA A 75 -5.198 14.105 -5.470 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.787 14.533 -4.503 1.00 0.00 C ATOM 0 H ALA A 75 -7.137 16.869 -4.132 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.677 14.439 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.841 13.449 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.689 14.898 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.705 14.984 -5.492 1.00 0.00 H new ATOM 1170 N THR A 76 -4.246 14.288 -3.427 1.00 0.00 N ATOM 1171 CA THR A 76 -2.946 13.810 -3.868 1.00 0.00 C ATOM 1172 C THR A 76 -2.687 12.400 -3.334 1.00 0.00 C ATOM 1173 O THR A 76 -3.340 11.961 -2.388 1.00 0.00 O ATOM 1174 CB THR A 76 -1.893 14.829 -3.427 1.00 0.00 C ATOM 1175 OG1 THR A 76 -2.103 14.960 -2.024 1.00 0.00 O ATOM 1176 CG2 THR A 76 -2.169 16.230 -3.977 1.00 0.00 C ATOM 0 H THR A 76 -4.300 14.526 -2.437 1.00 0.00 H new ATOM 0 HA THR A 76 -2.903 13.726 -4.954 1.00 0.00 H new ATOM 0 HB THR A 76 -0.907 14.498 -3.754 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.330 15.404 -1.617 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.393 16.915 -3.635 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.171 16.199 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.140 16.575 -3.622 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.708 11.712 -3.979 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.354 10.360 -3.579 1.00 0.00 C ATOM 1186 C PRO A 77 -0.543 10.367 -2.282 1.00 0.00 C ATOM 1187 O PRO A 77 -0.609 9.420 -1.499 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.584 9.789 -4.759 1.00 0.00 C ATOM 1189 CG PRO A 77 -0.134 10.986 -5.581 1.00 0.00 C ATOM 1190 CD PRO A 77 -0.914 12.200 -5.103 1.00 0.00 C ATOM 0 HA PRO A 77 -2.226 9.745 -3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.271 9.204 -4.421 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.213 9.123 -5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.937 11.150 -5.462 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.314 10.810 -6.642 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.246 13.004 -4.796 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.550 12.598 -5.894 1.00 0.00 H new ATOM 1198 N GLU A 78 0.205 11.444 -2.095 1.00 0.00 N ATOM 1199 CA GLU A 78 1.028 11.587 -0.906 1.00 0.00 C ATOM 1200 C GLU A 78 0.148 11.789 0.328 1.00 0.00 C ATOM 1201 O GLU A 78 0.503 11.362 1.426 1.00 0.00 O ATOM 1202 CB GLU A 78 2.024 12.737 -1.064 1.00 0.00 C ATOM 1203 CG GLU A 78 2.942 12.839 0.156 1.00 0.00 C ATOM 1204 CD GLU A 78 4.337 13.323 -0.246 1.00 0.00 C ATOM 1205 OE1 GLU A 78 4.398 14.343 -0.966 1.00 0.00 O ATOM 1206 OE2 GLU A 78 5.310 12.662 0.176 1.00 0.00 O ATOM 0 H GLU A 78 0.259 12.226 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 78 1.601 10.670 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.622 12.584 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.484 13.675 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.511 13.526 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.017 11.866 0.642 1.00 0.00 H new ATOM 1213 N ASN A 79 -0.985 12.441 0.108 1.00 0.00 N ATOM 1214 CA ASN A 79 -1.919 12.705 1.189 1.00 0.00 C ATOM 1215 C ASN A 79 -2.731 11.440 1.476 1.00 0.00 C ATOM 1216 O ASN A 79 -3.024 11.135 2.632 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.897 13.819 0.812 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.169 15.153 0.639 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.011 15.308 0.991 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -2.910 16.106 0.081 1.00 0.00 N ATOM 0 H ASN A 79 -1.277 12.794 -0.803 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.345 13.010 2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.411 13.559 -0.113 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.660 13.915 1.585 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.515 17.033 -0.075 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.873 15.910 -0.191 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.070 10.737 0.406 1.00 0.00 N ATOM 1228 CA LEU A 80 -3.842 9.512 0.528 1.00 0.00 C ATOM 1229 C LEU A 80 -3.001 8.454 1.246 1.00 0.00 C ATOM 1230 O LEU A 80 -3.446 7.866 2.230 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.357 9.064 -0.841 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.540 8.094 -0.828 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.603 8.538 0.179 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -6.120 7.917 -2.233 1.00 0.00 C ATOM 0 H LEU A 80 -2.824 10.992 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.730 9.681 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.646 9.950 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.534 8.595 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.177 7.118 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.433 7.831 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.167 8.570 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.968 9.529 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.959 7.223 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.463 8.881 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.351 7.521 -2.897 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.802 8.245 0.724 1.00 0.00 N ATOM 1247 CA ILE A 81 -0.894 7.268 1.302 1.00 0.00 C ATOM 1248 C ILE A 81 -0.763 7.527 2.804 1.00 0.00 C ATOM 1249 O ILE A 81 -0.712 6.588 3.597 1.00 0.00 O ATOM 1250 CB ILE A 81 0.443 7.272 0.558 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.301 6.641 -0.828 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.534 6.593 1.388 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.636 6.654 -1.576 1.00 0.00 C ATOM 0 H ILE A 81 -1.438 8.735 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.294 6.261 1.185 1.00 0.00 H new ATOM 0 HB ILE A 81 0.749 8.308 0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.055 5.615 -0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.448 7.185 -1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.474 6.609 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.658 7.125 2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.249 5.560 1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.507 6.200 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.977 7.683 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.376 6.089 -1.009 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.713 8.805 3.150 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.589 9.198 4.543 1.00 0.00 C ATOM 1267 C ASN A 82 -1.747 8.599 5.343 1.00 0.00 C ATOM 1268 O ASN A 82 -1.531 7.963 6.374 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.648 10.720 4.693 1.00 0.00 C ATOM 1270 CG ASN A 82 0.685 11.274 5.199 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.741 10.693 5.007 1.00 0.00 O ATOM 1272 ND2 ASN A 82 0.579 12.426 5.854 1.00 0.00 N ATOM 0 H ASN A 82 -0.756 9.581 2.490 1.00 0.00 H new ATOM 0 HA ASN A 82 0.371 8.836 4.911 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.894 11.174 3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.445 10.990 5.386 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.413 12.877 6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.336 12.859 5.979 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.951 8.824 4.839 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.144 8.314 5.494 1.00 0.00 C ATOM 1281 C ALA A 83 -4.071 6.787 5.561 1.00 0.00 C ATOM 1282 O ALA A 83 -4.275 6.199 6.622 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.386 8.806 4.748 1.00 0.00 C ATOM 0 H ALA A 83 -3.127 9.353 3.985 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.209 8.686 6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.281 8.424 5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.406 9.896 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.357 8.450 3.718 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.779 6.190 4.415 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.676 4.743 4.330 1.00 0.00 C ATOM 1291 C LEU A 84 -2.837 4.226 5.501 1.00 0.00 C ATOM 1292 O LEU A 84 -3.173 3.212 6.110 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.143 4.323 2.959 1.00 0.00 C ATOM 1294 CG LEU A 84 -4.081 4.559 1.774 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.300 4.619 0.460 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.190 3.505 1.734 1.00 0.00 C ATOM 0 H LEU A 84 -3.610 6.682 3.537 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.661 4.285 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.213 4.860 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.897 3.262 2.996 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.562 5.528 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.991 4.788 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.579 5.435 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.773 3.677 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.843 3.696 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.747 2.514 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.771 3.553 2.655 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.762 4.948 5.781 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.872 4.575 6.867 1.00 0.00 C ATOM 1310 C ASN A 85 -1.674 4.478 8.167 1.00 0.00 C ATOM 1311 O ASN A 85 -1.887 3.385 8.689 1.00 0.00 O ATOM 1312 CB ASN A 85 0.224 5.623 7.066 1.00 0.00 C ATOM 1313 CG ASN A 85 1.610 5.019 6.827 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.180 4.355 7.677 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.117 5.287 5.628 1.00 0.00 N ATOM 0 H ASN A 85 -1.487 5.790 5.274 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.415 3.618 6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.064 6.456 6.382 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.168 6.025 8.077 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.038 4.930 5.372 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.586 5.850 4.964 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.098 5.637 8.651 1.00 0.00 N ATOM 1323 CA LYS A 86 -2.872 5.696 9.879 1.00 0.00 C ATOM 1324 C LYS A 86 -4.069 4.750 9.769 1.00 0.00 C ATOM 1325 O LYS A 86 -4.476 4.140 10.757 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.258 7.141 10.200 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.035 7.771 9.042 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.237 9.270 9.268 1.00 0.00 C ATOM 1329 CE LYS A 86 -5.208 9.525 10.423 1.00 0.00 C ATOM 1330 NZ LYS A 86 -5.093 10.922 10.898 1.00 0.00 N ATOM 0 H LYS A 86 -1.920 6.542 8.215 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.273 5.355 10.723 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.864 7.167 11.106 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.360 7.725 10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.497 7.610 8.108 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.003 7.281 8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.278 9.741 9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.621 9.730 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.229 9.328 10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.997 8.838 11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.759 11.078 11.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.122 11.098 11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.317 11.573 10.119 1.00 0.00 H new ATOM 1344 N SER A 87 -4.599 4.656 8.558 1.00 0.00 N ATOM 1345 CA SER A 87 -5.742 3.794 8.306 1.00 0.00 C ATOM 1346 C SER A 87 -5.339 2.328 8.477 1.00 0.00 C ATOM 1347 O SER A 87 -6.191 1.441 8.463 1.00 0.00 O ATOM 1348 CB SER A 87 -6.310 4.029 6.906 1.00 0.00 C ATOM 1349 OG SER A 87 -5.742 3.144 5.944 1.00 0.00 O ATOM 0 H SER A 87 -4.258 5.162 7.741 1.00 0.00 H new ATOM 0 HA SER A 87 -6.520 4.037 9.030 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.392 3.896 6.927 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.121 5.060 6.606 1.00 0.00 H new ATOM 0 HG SER A 87 -4.812 2.950 6.186 1.00 0.00 H new ATOM 1355 N GLY A 88 -4.040 2.119 8.635 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.514 0.776 8.808 1.00 0.00 C ATOM 1357 C GLY A 88 -3.526 0.008 7.485 1.00 0.00 C ATOM 1358 O GLY A 88 -3.630 -1.218 7.475 1.00 0.00 O ATOM 0 H GLY A 88 -3.336 2.857 8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.496 0.827 9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.109 0.241 9.549 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.418 0.760 6.399 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.415 0.165 5.074 1.00 0.00 C ATOM 1364 C LEU A 89 -2.013 0.276 4.473 1.00 0.00 C ATOM 1365 O LEU A 89 -1.863 0.551 3.283 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.508 0.790 4.204 1.00 0.00 C ATOM 1367 CG LEU A 89 -5.866 0.086 4.225 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.087 -0.640 5.554 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -6.998 1.067 3.913 1.00 0.00 C ATOM 0 H LEU A 89 -3.332 1.776 6.410 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.654 -0.897 5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.651 1.823 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.152 0.820 3.174 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.870 -0.670 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.060 -1.132 5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.305 -1.386 5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.054 0.080 6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.952 0.540 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.006 1.863 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.844 1.498 2.924 1.00 0.00 H new ATOM 1381 N SER A 90 -1.020 0.056 5.323 1.00 0.00 N ATOM 1382 CA SER A 90 0.365 0.128 4.890 1.00 0.00 C ATOM 1383 C SER A 90 0.503 -0.447 3.479 1.00 0.00 C ATOM 1384 O SER A 90 1.246 0.088 2.657 1.00 0.00 O ATOM 1385 CB SER A 90 1.284 -0.618 5.860 1.00 0.00 C ATOM 1386 OG SER A 90 0.874 -1.969 6.051 1.00 0.00 O ATOM 0 H SER A 90 -1.147 -0.172 6.309 1.00 0.00 H new ATOM 0 HA SER A 90 0.666 1.175 4.879 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.305 -0.599 5.479 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.293 -0.102 6.820 1.00 0.00 H new ATOM 0 HG SER A 90 1.486 -2.412 6.675 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.223 -1.530 3.242 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.190 -2.183 1.945 1.00 0.00 C ATOM 1394 C ASP A 91 -0.344 -1.131 0.845 1.00 0.00 C ATOM 1395 O ASP A 91 0.577 -0.909 0.060 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.338 -3.185 1.804 1.00 0.00 C ATOM 1397 CG ASP A 91 -0.934 -4.560 1.270 1.00 0.00 C ATOM 1398 OD1 ASP A 91 0.278 -4.861 1.335 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -1.845 -5.281 0.808 1.00 0.00 O ATOM 0 H ASP A 91 -0.837 -1.971 3.926 1.00 0.00 H new ATOM 0 HA ASP A 91 0.761 -2.708 1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.809 -3.314 2.778 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.091 -2.761 1.140 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.514 -0.511 0.822 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.800 0.513 -0.169 1.00 0.00 C ATOM 1406 C LEU A 92 -0.695 1.570 -0.137 1.00 0.00 C ATOM 1407 O LEU A 92 0.026 1.750 -1.118 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.204 1.085 0.041 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.325 0.421 -0.760 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.538 1.132 -2.098 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.058 -1.075 -0.942 1.00 0.00 C ATOM 0 H LEU A 92 -2.276 -0.698 1.474 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.802 0.083 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.450 1.013 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.184 2.146 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.251 0.516 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.340 0.640 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.807 2.173 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.619 1.090 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.870 -1.523 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.118 -1.215 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.995 -1.555 0.035 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.595 2.242 1.000 1.00 0.00 N ATOM 1424 CA ALA A 93 0.411 3.277 1.172 1.00 0.00 C ATOM 1425 C ALA A 93 1.685 2.872 0.428 1.00 0.00 C ATOM 1426 O ALA A 93 2.330 3.707 -0.205 1.00 0.00 O ATOM 1427 CB ALA A 93 0.656 3.508 2.665 1.00 0.00 C ATOM 0 H ALA A 93 -1.194 2.090 1.812 1.00 0.00 H new ATOM 0 HA ALA A 93 0.067 4.221 0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.410 4.284 2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.273 3.822 3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.005 2.583 3.124 1.00 0.00 H new ATOM 1433 N GLU A 94 2.009 1.591 0.528 1.00 0.00 N ATOM 1434 CA GLU A 94 3.195 1.066 -0.128 1.00 0.00 C ATOM 1435 C GLU A 94 2.926 0.854 -1.619 1.00 0.00 C ATOM 1436 O GLU A 94 3.588 1.453 -2.465 1.00 0.00 O ATOM 1437 CB GLU A 94 3.659 -0.232 0.536 1.00 0.00 C ATOM 1438 CG GLU A 94 4.347 0.052 1.872 1.00 0.00 C ATOM 1439 CD GLU A 94 5.858 -0.167 1.768 1.00 0.00 C ATOM 1440 OE1 GLU A 94 6.262 -1.350 1.772 1.00 0.00 O ATOM 1441 OE2 GLU A 94 6.575 0.854 1.687 1.00 0.00 O ATOM 0 H GLU A 94 1.471 0.901 1.053 1.00 0.00 H new ATOM 0 HA GLU A 94 3.998 1.796 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.804 -0.889 0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.346 -0.758 -0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.145 1.078 2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.934 -0.598 2.643 1.00 0.00 H new ATOM 1448 N SER A 95 1.953 -0.002 -1.897 1.00 0.00 N ATOM 1449 CA SER A 95 1.588 -0.301 -3.271 1.00 0.00 C ATOM 1450 C SER A 95 1.616 0.978 -4.110 1.00 0.00 C ATOM 1451 O SER A 95 2.001 0.951 -5.278 1.00 0.00 O ATOM 1452 CB SER A 95 0.207 -0.954 -3.345 1.00 0.00 C ATOM 1453 OG SER A 95 0.168 -2.200 -2.653 1.00 0.00 O ATOM 0 H SER A 95 1.406 -0.498 -1.193 1.00 0.00 H new ATOM 0 HA SER A 95 2.315 -1.007 -3.672 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.536 -0.280 -2.920 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.065 -1.110 -4.389 1.00 0.00 H new ATOM 0 HG SER A 95 0.255 -2.042 -1.690 1.00 0.00 H new ATOM 1459 N LEU A 96 1.202 2.069 -3.481 1.00 0.00 N ATOM 1460 CA LEU A 96 1.175 3.356 -4.155 1.00 0.00 C ATOM 1461 C LEU A 96 2.603 3.887 -4.289 1.00 0.00 C ATOM 1462 O LEU A 96 3.016 4.302 -5.372 1.00 0.00 O ATOM 1463 CB LEU A 96 0.226 4.317 -3.436 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.258 4.178 -3.781 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.512 4.506 -5.254 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.781 2.790 -3.405 1.00 0.00 C ATOM 0 H LEU A 96 0.883 2.088 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 96 0.779 3.249 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.344 4.176 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.536 5.338 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.815 4.904 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.575 4.399 -5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.201 5.531 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.942 3.822 -5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.838 2.718 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.223 2.030 -3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.655 2.632 -2.334 1.00 0.00 H new ATOM 1478 N THR A 97 3.318 3.858 -3.175 1.00 0.00 N ATOM 1479 CA THR A 97 4.692 4.332 -3.154 1.00 0.00 C ATOM 1480 C THR A 97 5.648 3.214 -3.575 1.00 0.00 C ATOM 1481 O THR A 97 6.820 3.222 -3.204 1.00 0.00 O ATOM 1482 CB THR A 97 4.981 4.884 -1.757 1.00 0.00 C ATOM 1483 OG1 THR A 97 5.877 5.967 -1.989 1.00 0.00 O ATOM 1484 CG2 THR A 97 5.789 3.909 -0.898 1.00 0.00 C ATOM 0 H THR A 97 2.972 3.514 -2.279 1.00 0.00 H new ATOM 0 HA THR A 97 4.844 5.136 -3.874 1.00 0.00 H new ATOM 0 HB THR A 97 4.040 5.115 -1.257 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.115 6.383 -1.134 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.967 4.350 0.083 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.233 2.979 -0.783 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.744 3.703 -1.382 1.00 0.00 H new