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 130:sc= -0.922 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.904 K(o=-1.8,f=-2.7!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0132 X(o=-0.013,f=-0.042) USER MOD Single : A 26 ASN : amide:sc= -0.951 K(o=-0.95,f=-0.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= -0.355 (180deg=-0.355) USER MOD Single : A 31 GLN : amide:sc= -0.461 K(o=-0.46,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= -0.0127 (180deg=-0.0594) USER MOD Single : A 38 TYR OH : rot 123:sc= 0.258 USER MOD Single : A 41 MET CE :methyl 147:sc= -2.82! (180deg=-6.03!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.61 K(o=-0.61,f=-0.095) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -140:sc= 0.15 USER MOD Single : A 56 MET CE :methyl 143:sc= -0.827 (180deg=-2.06!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 170:sc= -0.202 (180deg=-0.499) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.35) USER MOD Single : A 68 GLN : amide:sc= -10.8! C(o=-11!,f=-8.3!) USER MOD Single : A 70 GLN : amide:sc= -2.53 K(o=-2.5,f=-1.8!) USER MOD Single : A 74 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.014) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) 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 -38:sc= -2.46 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 49:sc= 1.25 USER MOD Single : A 97 THR OG1 : rot -100:sc= 0.0475 USER MOD ----------------------------------------------------------------- ATOM 190 N PRO A 15 -2.377 16.153 -7.664 1.00 0.00 N ATOM 191 CA PRO A 15 -3.532 15.385 -7.233 1.00 0.00 C ATOM 192 C PRO A 15 -3.828 14.245 -8.209 1.00 0.00 C ATOM 193 O PRO A 15 -3.768 14.432 -9.424 1.00 0.00 O ATOM 194 CB PRO A 15 -4.663 16.395 -7.138 1.00 0.00 C ATOM 195 CG PRO A 15 -4.222 17.594 -7.961 1.00 0.00 C ATOM 196 CD PRO A 15 -2.735 17.448 -8.237 1.00 0.00 C ATOM 0 HA PRO A 15 -3.375 14.892 -6.274 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.593 15.977 -7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.847 16.679 -6.102 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.781 17.642 -8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.421 18.521 -7.423 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.526 17.479 -9.306 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.166 18.256 -7.777 1.00 0.00 H new ATOM 204 N VAL A 16 -4.142 13.089 -7.642 1.00 0.00 N ATOM 205 CA VAL A 16 -4.448 11.919 -8.448 1.00 0.00 C ATOM 206 C VAL A 16 -5.451 12.303 -9.537 1.00 0.00 C ATOM 207 O VAL A 16 -6.178 13.286 -9.398 1.00 0.00 O ATOM 208 CB VAL A 16 -4.944 10.782 -7.552 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.776 10.094 -6.842 1.00 0.00 C ATOM 210 CG2 VAL A 16 -5.977 11.289 -6.544 1.00 0.00 C ATOM 0 H VAL A 16 -4.191 12.938 -6.634 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.551 11.554 -8.947 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.432 10.043 -8.188 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.156 9.290 -6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.092 9.681 -7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.247 10.820 -6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.313 10.461 -5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.526 12.057 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.829 11.711 -7.077 1.00 0.00 H new ATOM 220 N THR A 17 -5.458 11.509 -10.598 1.00 0.00 N ATOM 221 CA THR A 17 -6.360 11.753 -11.710 1.00 0.00 C ATOM 222 C THR A 17 -7.106 10.471 -12.084 1.00 0.00 C ATOM 223 O THR A 17 -6.790 9.395 -11.578 1.00 0.00 O ATOM 224 CB THR A 17 -5.542 12.338 -12.863 1.00 0.00 C ATOM 225 OG1 THR A 17 -4.665 11.279 -13.238 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.602 13.456 -12.406 1.00 0.00 C ATOM 0 H THR A 17 -4.853 10.696 -10.711 1.00 0.00 H new ATOM 0 HA THR A 17 -7.132 12.474 -11.441 1.00 0.00 H new ATOM 0 HB THR A 17 -6.216 12.721 -13.629 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.098 11.572 -13.982 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.045 13.836 -13.263 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.185 14.264 -11.965 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.905 13.065 -11.665 1.00 0.00 H new ATOM 234 N GLY A 18 -8.081 10.627 -12.967 1.00 0.00 N ATOM 235 CA GLY A 18 -8.875 9.495 -13.414 1.00 0.00 C ATOM 236 C GLY A 18 -7.981 8.302 -13.760 1.00 0.00 C ATOM 237 O GLY A 18 -8.402 7.153 -13.641 1.00 0.00 O ATOM 0 H GLY A 18 -8.339 11.521 -13.385 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.581 9.211 -12.634 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.462 9.780 -14.287 1.00 0.00 H new ATOM 241 N GLU A 19 -6.765 8.617 -14.181 1.00 0.00 N ATOM 242 CA GLU A 19 -5.809 7.585 -14.546 1.00 0.00 C ATOM 243 C GLU A 19 -5.320 6.850 -13.296 1.00 0.00 C ATOM 244 O GLU A 19 -5.250 5.622 -13.282 1.00 0.00 O ATOM 245 CB GLU A 19 -4.635 8.178 -15.328 1.00 0.00 C ATOM 246 CG GLU A 19 -3.857 7.083 -16.061 1.00 0.00 C ATOM 247 CD GLU A 19 -3.662 7.443 -17.535 1.00 0.00 C ATOM 248 OE1 GLU A 19 -4.689 7.509 -18.245 1.00 0.00 O ATOM 249 OE2 GLU A 19 -2.490 7.645 -17.920 1.00 0.00 O ATOM 0 H GLU A 19 -6.420 9.572 -14.278 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.309 6.866 -15.195 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.004 8.910 -16.046 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.970 8.708 -14.646 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.886 6.941 -15.586 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.392 6.137 -15.982 1.00 0.00 H new ATOM 256 N GLN A 20 -4.995 7.632 -12.277 1.00 0.00 N ATOM 257 CA GLN A 20 -4.515 7.071 -11.026 1.00 0.00 C ATOM 258 C GLN A 20 -5.679 6.482 -10.227 1.00 0.00 C ATOM 259 O GLN A 20 -5.569 5.386 -9.679 1.00 0.00 O ATOM 260 CB GLN A 20 -3.763 8.121 -10.206 1.00 0.00 C ATOM 261 CG GLN A 20 -2.535 8.632 -10.963 1.00 0.00 C ATOM 262 CD GLN A 20 -1.423 9.038 -9.994 1.00 0.00 C ATOM 263 OE1 GLN A 20 -0.907 8.239 -9.230 1.00 0.00 O ATOM 264 NE2 GLN A 20 -1.085 10.323 -10.067 1.00 0.00 N ATOM 0 H GLN A 20 -5.055 8.650 -12.292 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.815 6.268 -11.256 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.428 8.955 -9.979 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.454 7.691 -9.253 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.170 7.857 -11.637 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.814 9.486 -11.581 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.558 10.938 -10.730 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.353 10.693 -9.460 1.00 0.00 H new ATOM 273 N ILE A 21 -6.768 7.235 -10.186 1.00 0.00 N ATOM 274 CA ILE A 21 -7.951 6.802 -9.463 1.00 0.00 C ATOM 275 C ILE A 21 -8.244 5.339 -9.803 1.00 0.00 C ATOM 276 O ILE A 21 -8.075 4.457 -8.963 1.00 0.00 O ATOM 277 CB ILE A 21 -9.124 7.744 -9.742 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.909 9.102 -9.069 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.451 7.104 -9.329 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.240 9.821 -8.847 1.00 0.00 C ATOM 0 H ILE A 21 -6.856 8.143 -10.642 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.780 6.852 -8.388 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.172 7.921 -10.816 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.403 8.962 -8.114 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.257 9.719 -9.687 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.268 7.794 -9.538 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.601 6.183 -9.892 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.430 6.879 -8.263 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.058 10.783 -8.368 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.732 9.981 -9.807 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.880 9.212 -8.208 1.00 0.00 H new ATOM 292 N GLU A 22 -8.678 5.127 -11.037 1.00 0.00 N ATOM 293 CA GLU A 22 -8.996 3.786 -11.498 1.00 0.00 C ATOM 294 C GLU A 22 -8.003 2.776 -10.920 1.00 0.00 C ATOM 295 O GLU A 22 -8.402 1.738 -10.395 1.00 0.00 O ATOM 296 CB GLU A 22 -9.015 3.722 -13.027 1.00 0.00 C ATOM 297 CG GLU A 22 -7.686 4.205 -13.612 1.00 0.00 C ATOM 298 CD GLU A 22 -7.749 4.264 -15.140 1.00 0.00 C ATOM 299 OE1 GLU A 22 -7.606 3.186 -15.756 1.00 0.00 O ATOM 300 OE2 GLU A 22 -7.939 5.386 -15.657 1.00 0.00 O ATOM 0 H GLU A 22 -8.817 5.861 -11.731 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.994 3.529 -11.143 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.208 2.699 -13.349 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.830 4.336 -13.410 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.447 5.192 -13.216 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.884 3.535 -13.303 1.00 0.00 H new ATOM 307 N VAL A 23 -6.727 3.117 -11.034 1.00 0.00 N ATOM 308 CA VAL A 23 -5.674 2.253 -10.529 1.00 0.00 C ATOM 309 C VAL A 23 -5.865 2.048 -9.025 1.00 0.00 C ATOM 310 O VAL A 23 -6.053 0.922 -8.567 1.00 0.00 O ATOM 311 CB VAL A 23 -4.304 2.835 -10.884 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.252 2.430 -9.850 1.00 0.00 C ATOM 313 CG2 VAL A 23 -3.878 2.417 -12.292 1.00 0.00 C ATOM 0 H VAL A 23 -6.399 3.980 -11.469 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.727 1.271 -11.000 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.388 3.922 -10.869 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.288 2.857 -10.126 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.545 2.801 -8.868 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.172 1.343 -9.818 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.901 2.844 -12.518 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.820 1.330 -12.347 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.609 2.778 -13.016 1.00 0.00 H new ATOM 323 N PHE A 24 -5.812 3.155 -8.298 1.00 0.00 N ATOM 324 CA PHE A 24 -5.977 3.111 -6.855 1.00 0.00 C ATOM 325 C PHE A 24 -7.179 2.248 -6.467 1.00 0.00 C ATOM 326 O PHE A 24 -7.067 1.372 -5.610 1.00 0.00 O ATOM 327 CB PHE A 24 -6.225 4.548 -6.390 1.00 0.00 C ATOM 328 CG PHE A 24 -5.334 4.987 -5.226 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.499 4.429 -3.996 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.379 5.934 -5.420 1.00 0.00 C ATOM 331 CE1 PHE A 24 -4.673 4.837 -2.916 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.552 6.342 -4.340 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.717 5.785 -3.110 1.00 0.00 C ATOM 0 H PHE A 24 -5.657 4.087 -8.681 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.089 2.680 -6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.067 5.224 -7.231 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.269 4.648 -6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.258 3.676 -3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.249 6.377 -6.396 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.804 4.394 -1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.793 7.094 -4.495 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.089 6.095 -2.288 1.00 0.00 H new ATOM 343 N ALA A 25 -8.300 2.524 -7.116 1.00 0.00 N ATOM 344 CA ALA A 25 -9.521 1.783 -6.850 1.00 0.00 C ATOM 345 C ALA A 25 -9.186 0.300 -6.679 1.00 0.00 C ATOM 346 O ALA A 25 -9.472 -0.289 -5.638 1.00 0.00 O ATOM 347 CB ALA A 25 -10.524 2.027 -7.979 1.00 0.00 C ATOM 0 H ALA A 25 -8.389 3.251 -7.826 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.983 2.126 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.440 1.471 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.752 3.091 -8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.096 1.693 -8.924 1.00 0.00 H new ATOM 353 N ASN A 26 -8.583 -0.261 -7.717 1.00 0.00 N ATOM 354 CA ASN A 26 -8.206 -1.664 -7.695 1.00 0.00 C ATOM 355 C ASN A 26 -7.410 -1.954 -6.420 1.00 0.00 C ATOM 356 O ASN A 26 -7.598 -2.993 -5.790 1.00 0.00 O ATOM 357 CB ASN A 26 -7.323 -2.016 -8.894 1.00 0.00 C ATOM 358 CG ASN A 26 -8.105 -1.900 -10.203 1.00 0.00 C ATOM 359 OD1 ASN A 26 -8.909 -2.748 -10.554 1.00 0.00 O ATOM 360 ND2 ASN A 26 -7.825 -0.806 -10.906 1.00 0.00 N ATOM 0 H ASN A 26 -8.346 0.231 -8.579 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.119 -2.259 -7.732 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.460 -1.351 -8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.941 -3.031 -8.783 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.294 -0.638 -11.796 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.141 -0.135 -10.555 1.00 0.00 H new ATOM 367 N LYS A 27 -6.539 -1.016 -6.079 1.00 0.00 N ATOM 368 CA LYS A 27 -5.714 -1.158 -4.891 1.00 0.00 C ATOM 369 C LYS A 27 -6.605 -1.110 -3.648 1.00 0.00 C ATOM 370 O LYS A 27 -6.713 -2.094 -2.919 1.00 0.00 O ATOM 371 CB LYS A 27 -4.596 -0.113 -4.887 1.00 0.00 C ATOM 372 CG LYS A 27 -3.555 -0.420 -5.965 1.00 0.00 C ATOM 373 CD LYS A 27 -2.299 0.433 -5.773 1.00 0.00 C ATOM 374 CE LYS A 27 -2.441 1.783 -6.479 1.00 0.00 C ATOM 375 NZ LYS A 27 -1.300 2.012 -7.394 1.00 0.00 N ATOM 0 H LYS A 27 -6.386 -0.155 -6.604 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.214 -2.126 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.019 0.877 -5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.116 -0.092 -3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.290 -1.477 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.980 -0.231 -6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.122 0.592 -4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.431 -0.097 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.375 1.810 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.489 2.583 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.412 2.932 -7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.413 2.007 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.272 1.258 -8.110 1.00 0.00 H new ATOM 389 N LEU A 28 -7.221 0.046 -3.445 1.00 0.00 N ATOM 390 CA LEU A 28 -8.099 0.235 -2.303 1.00 0.00 C ATOM 391 C LEU A 28 -8.934 -1.029 -2.092 1.00 0.00 C ATOM 392 O LEU A 28 -8.770 -1.726 -1.091 1.00 0.00 O ATOM 393 CB LEU A 28 -8.937 1.504 -2.476 1.00 0.00 C ATOM 394 CG LEU A 28 -9.679 1.992 -1.230 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.804 1.857 0.017 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.188 3.422 -1.421 1.00 0.00 C ATOM 0 H LEU A 28 -7.129 0.861 -4.052 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.515 0.387 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.282 2.304 -2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.668 1.328 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.552 1.356 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.355 2.211 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.532 0.811 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.900 2.453 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.712 3.745 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.344 4.086 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.871 3.455 -2.270 1.00 0.00 H new ATOM 408 N GLY A 29 -9.811 -1.288 -3.051 1.00 0.00 N ATOM 409 CA GLY A 29 -10.672 -2.457 -2.983 1.00 0.00 C ATOM 410 C GLY A 29 -11.792 -2.254 -1.961 1.00 0.00 C ATOM 411 O GLY A 29 -12.592 -1.328 -2.087 1.00 0.00 O ATOM 0 H GLY A 29 -9.944 -0.708 -3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.102 -2.654 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.082 -3.333 -2.712 1.00 0.00 H new ATOM 415 N GLU A 30 -11.813 -3.134 -0.971 1.00 0.00 N ATOM 416 CA GLU A 30 -12.822 -3.063 0.072 1.00 0.00 C ATOM 417 C GLU A 30 -12.354 -2.143 1.201 1.00 0.00 C ATOM 418 O GLU A 30 -13.101 -1.879 2.142 1.00 0.00 O ATOM 419 CB GLU A 30 -13.158 -4.457 0.606 1.00 0.00 C ATOM 420 CG GLU A 30 -12.008 -5.014 1.449 1.00 0.00 C ATOM 421 CD GLU A 30 -12.462 -6.228 2.261 1.00 0.00 C ATOM 422 OE1 GLU A 30 -13.105 -6.002 3.309 1.00 0.00 O ATOM 423 OE2 GLU A 30 -12.156 -7.355 1.815 1.00 0.00 O ATOM 0 H GLU A 30 -11.147 -3.900 -0.869 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.732 -2.645 -0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.065 -4.411 1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.362 -5.130 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.179 -5.296 0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.637 -4.240 2.121 1.00 0.00 H new ATOM 430 N GLN A 31 -11.120 -1.678 1.070 1.00 0.00 N ATOM 431 CA GLN A 31 -10.543 -0.792 2.067 1.00 0.00 C ATOM 432 C GLN A 31 -11.096 0.625 1.901 1.00 0.00 C ATOM 433 O GLN A 31 -10.752 1.523 2.668 1.00 0.00 O ATOM 434 CB GLN A 31 -9.016 -0.798 1.989 1.00 0.00 C ATOM 435 CG GLN A 31 -8.421 -1.827 2.953 1.00 0.00 C ATOM 436 CD GLN A 31 -7.450 -2.761 2.228 1.00 0.00 C ATOM 437 OE1 GLN A 31 -7.110 -2.569 1.072 1.00 0.00 O ATOM 438 NE2 GLN A 31 -7.023 -3.779 2.970 1.00 0.00 N ATOM 0 H GLN A 31 -10.503 -1.898 0.288 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.824 -1.157 3.055 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.701 -1.024 0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.632 0.194 2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.902 -1.314 3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.222 -2.411 3.407 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.348 -3.881 3.932 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.371 -4.458 2.577 1.00 0.00 H new ATOM 447 N TRP A 32 -11.942 0.781 0.894 1.00 0.00 N ATOM 448 CA TRP A 32 -12.545 2.074 0.617 1.00 0.00 C ATOM 449 C TRP A 32 -13.367 2.484 1.841 1.00 0.00 C ATOM 450 O TRP A 32 -13.435 3.664 2.180 1.00 0.00 O ATOM 451 CB TRP A 32 -13.371 2.029 -0.670 1.00 0.00 C ATOM 452 CG TRP A 32 -14.748 1.382 -0.505 1.00 0.00 C ATOM 453 CD1 TRP A 32 -15.092 0.107 -0.727 1.00 0.00 C ATOM 454 CD2 TRP A 32 -15.958 2.036 -0.069 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.430 -0.109 -0.468 1.00 0.00 N ATOM 456 CE2 TRP A 32 -16.974 1.102 -0.055 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.187 3.373 0.302 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.288 1.404 0.322 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.506 3.658 0.676 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.540 2.729 0.695 1.00 0.00 C ATOM 0 H TRP A 32 -12.224 0.034 0.260 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.778 2.829 0.444 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.501 3.045 -1.042 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.812 1.481 -1.429 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.408 -0.657 -1.066 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.928 -0.994 -0.562 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.408 4.121 0.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -19.066 0.654 0.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.736 4.671 0.971 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.533 3.028 0.996 1.00 0.00 H new ATOM 471 N LYS A 33 -13.971 1.486 2.470 1.00 0.00 N ATOM 472 CA LYS A 33 -14.786 1.728 3.648 1.00 0.00 C ATOM 473 C LYS A 33 -13.874 1.960 4.855 1.00 0.00 C ATOM 474 O LYS A 33 -14.327 2.422 5.900 1.00 0.00 O ATOM 475 CB LYS A 33 -15.792 0.593 3.847 1.00 0.00 C ATOM 476 CG LYS A 33 -16.813 0.948 4.929 1.00 0.00 C ATOM 477 CD LYS A 33 -18.221 1.057 4.341 1.00 0.00 C ATOM 478 CE LYS A 33 -19.260 0.454 5.289 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.448 1.332 5.381 1.00 0.00 N ATOM 0 H LYS A 33 -13.912 0.508 2.186 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.382 2.632 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.307 0.391 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.265 -0.320 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.799 0.188 5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.537 1.892 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.460 2.104 4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.259 0.543 3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.556 -0.533 4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.823 0.318 6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.184 0.862 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.182 2.229 5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.814 1.523 4.426 1.00 0.00 H new ATOM 493 N ILE A 34 -12.605 1.627 4.669 1.00 0.00 N ATOM 494 CA ILE A 34 -11.625 1.793 5.729 1.00 0.00 C ATOM 495 C ILE A 34 -10.975 3.172 5.606 1.00 0.00 C ATOM 496 O ILE A 34 -10.477 3.718 6.589 1.00 0.00 O ATOM 497 CB ILE A 34 -10.622 0.637 5.718 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.342 -0.713 5.740 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.618 0.771 6.864 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.343 -1.868 5.644 1.00 0.00 C ATOM 0 H ILE A 34 -12.233 1.243 3.800 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.110 1.755 6.705 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.056 0.684 4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.923 -0.805 6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.047 -0.767 4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.917 -0.063 6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.071 1.708 6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.149 0.763 7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.880 -2.816 5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.781 -1.787 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.655 -1.825 6.488 1.00 0.00 H new ATOM 512 N LEU A 35 -11.000 3.697 4.389 1.00 0.00 N ATOM 513 CA LEU A 35 -10.419 5.002 4.124 1.00 0.00 C ATOM 514 C LEU A 35 -11.520 6.064 4.171 1.00 0.00 C ATOM 515 O LEU A 35 -11.233 7.260 4.184 1.00 0.00 O ATOM 516 CB LEU A 35 -9.638 4.984 2.809 1.00 0.00 C ATOM 517 CG LEU A 35 -8.129 5.212 2.922 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.572 5.836 1.641 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.792 6.047 4.159 1.00 0.00 C ATOM 0 H LEU A 35 -11.414 3.242 3.576 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.693 5.260 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.805 4.022 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.053 5.749 2.152 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.645 4.243 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.498 5.988 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.763 5.170 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.058 6.795 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.713 6.194 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.287 7.015 4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.135 5.527 5.053 1.00 0.00 H new ATOM 531 N ALA A 36 -12.756 5.588 4.195 1.00 0.00 N ATOM 532 CA ALA A 36 -13.901 6.482 4.240 1.00 0.00 C ATOM 533 C ALA A 36 -13.860 7.292 5.537 1.00 0.00 C ATOM 534 O ALA A 36 -13.986 8.515 5.514 1.00 0.00 O ATOM 535 CB ALA A 36 -15.190 5.669 4.101 1.00 0.00 C ATOM 0 H ALA A 36 -12.990 4.595 4.184 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.869 7.187 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.049 6.340 4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.183 5.136 3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.258 4.952 4.919 1.00 0.00 H new ATOM 541 N PRO A 37 -13.678 6.557 6.668 1.00 0.00 N ATOM 542 CA PRO A 37 -13.618 7.194 7.972 1.00 0.00 C ATOM 543 C PRO A 37 -12.278 7.903 8.176 1.00 0.00 C ATOM 544 O PRO A 37 -12.048 8.517 9.217 1.00 0.00 O ATOM 545 CB PRO A 37 -13.853 6.071 8.969 1.00 0.00 C ATOM 546 CG PRO A 37 -13.574 4.780 8.217 1.00 0.00 C ATOM 547 CD PRO A 37 -13.525 5.107 6.733 1.00 0.00 C ATOM 0 HA PRO A 37 -14.365 7.978 8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.194 6.171 9.832 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.876 6.091 9.345 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.630 4.344 8.543 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.352 4.044 8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.582 4.788 6.288 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.322 4.600 6.189 1.00 0.00 H new ATOM 555 N TYR A 38 -11.428 7.795 7.165 1.00 0.00 N ATOM 556 CA TYR A 38 -10.116 8.418 7.220 1.00 0.00 C ATOM 557 C TYR A 38 -9.959 9.463 6.114 1.00 0.00 C ATOM 558 O TYR A 38 -8.921 10.116 6.015 1.00 0.00 O ATOM 559 CB TYR A 38 -9.105 7.293 6.990 1.00 0.00 C ATOM 560 CG TYR A 38 -8.667 6.578 8.270 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.398 5.511 8.749 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.540 7.002 8.945 1.00 0.00 C ATOM 563 CE1 TYR A 38 -8.986 4.838 9.954 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.128 6.329 10.150 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.871 5.281 10.595 1.00 0.00 C ATOM 566 OH TYR A 38 -7.481 4.646 11.733 1.00 0.00 O ATOM 0 H TYR A 38 -11.622 7.285 6.303 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.970 8.922 8.175 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.539 6.562 6.308 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.225 7.705 6.497 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.280 5.180 8.220 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.968 7.838 8.570 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.549 4.001 10.340 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.248 6.650 10.688 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.562 4.322 11.628 1.00 0.00 H new ATOM 576 N LEU A 39 -11.005 9.589 5.310 1.00 0.00 N ATOM 577 CA LEU A 39 -10.996 10.544 4.215 1.00 0.00 C ATOM 578 C LEU A 39 -11.870 11.744 4.583 1.00 0.00 C ATOM 579 O LEU A 39 -12.035 12.665 3.785 1.00 0.00 O ATOM 580 CB LEU A 39 -11.405 9.863 2.907 1.00 0.00 C ATOM 581 CG LEU A 39 -10.259 9.389 2.011 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.189 8.662 2.828 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.784 8.529 0.859 1.00 0.00 C ATOM 0 H LEU A 39 -11.864 9.046 5.395 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.988 10.923 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.031 9.004 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.023 10.557 2.337 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.786 10.266 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.386 8.336 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.786 9.337 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.632 7.794 3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.949 8.205 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.297 7.656 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.480 9.113 0.257 1.00 0.00 H new ATOM 595 N GLU A 40 -12.408 11.695 5.793 1.00 0.00 N ATOM 596 CA GLU A 40 -13.262 12.766 6.277 1.00 0.00 C ATOM 597 C GLU A 40 -14.525 12.867 5.419 1.00 0.00 C ATOM 598 O GLU A 40 -14.921 13.961 5.018 1.00 0.00 O ATOM 599 CB GLU A 40 -12.509 14.098 6.303 1.00 0.00 C ATOM 600 CG GLU A 40 -11.143 13.943 6.975 1.00 0.00 C ATOM 601 CD GLU A 40 -11.268 14.036 8.497 1.00 0.00 C ATOM 602 OE1 GLU A 40 -12.072 13.255 9.050 1.00 0.00 O ATOM 603 OE2 GLU A 40 -10.556 14.886 9.074 1.00 0.00 O ATOM 0 H GLU A 40 -12.269 10.930 6.453 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.559 12.534 7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.378 14.466 5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.099 14.843 6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.705 12.983 6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.466 14.717 6.614 1.00 0.00 H new ATOM 610 N MET A 41 -15.122 11.712 5.163 1.00 0.00 N ATOM 611 CA MET A 41 -16.331 11.657 4.361 1.00 0.00 C ATOM 612 C MET A 41 -17.579 11.767 5.240 1.00 0.00 C ATOM 613 O MET A 41 -17.480 12.066 6.429 1.00 0.00 O ATOM 614 CB MET A 41 -16.369 10.340 3.584 1.00 0.00 C ATOM 615 CG MET A 41 -15.103 10.162 2.743 1.00 0.00 C ATOM 616 SD MET A 41 -14.913 11.542 1.627 1.00 0.00 S ATOM 617 CE MET A 41 -15.304 10.744 0.079 1.00 0.00 C ATOM 0 H MET A 41 -14.790 10.807 5.497 1.00 0.00 H new ATOM 0 HA MET A 41 -16.323 12.498 3.668 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.468 9.506 4.279 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.246 10.321 2.936 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.232 10.087 3.394 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.160 9.232 2.178 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.797 11.456 -0.583 1.00 0.00 H new ATOM 0 HE2 MET A 41 -14.386 10.389 -0.389 1.00 0.00 H new ATOM 0 HE3 MET A 41 -15.968 9.899 0.263 1.00 0.00 H new ATOM 627 N LYS A 42 -18.724 11.520 4.621 1.00 0.00 N ATOM 628 CA LYS A 42 -19.989 11.587 5.333 1.00 0.00 C ATOM 629 C LYS A 42 -20.697 10.235 5.235 1.00 0.00 C ATOM 630 O LYS A 42 -20.619 9.562 4.208 1.00 0.00 O ATOM 631 CB LYS A 42 -20.829 12.760 4.823 1.00 0.00 C ATOM 632 CG LYS A 42 -20.110 14.091 5.053 1.00 0.00 C ATOM 633 CD LYS A 42 -20.431 14.654 6.439 1.00 0.00 C ATOM 634 CE LYS A 42 -19.327 15.601 6.914 1.00 0.00 C ATOM 635 NZ LYS A 42 -19.690 16.209 8.214 1.00 0.00 N ATOM 0 H LYS A 42 -18.802 11.273 3.634 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.820 11.782 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -21.032 12.631 3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.793 12.770 5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.034 13.949 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.409 14.807 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -21.383 15.185 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.545 13.836 7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.388 15.056 7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.166 16.383 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.930 16.849 8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -20.575 16.746 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.820 15.460 8.923 1.00 0.00 H new ATOM 649 N ASP A 43 -21.372 9.876 6.317 1.00 0.00 N ATOM 650 CA ASP A 43 -22.093 8.616 6.366 1.00 0.00 C ATOM 651 C ASP A 43 -22.955 8.477 5.109 1.00 0.00 C ATOM 652 O ASP A 43 -22.922 7.446 4.440 1.00 0.00 O ATOM 653 CB ASP A 43 -23.019 8.558 7.583 1.00 0.00 C ATOM 654 CG ASP A 43 -22.617 7.541 8.653 1.00 0.00 C ATOM 655 OD1 ASP A 43 -21.709 6.735 8.358 1.00 0.00 O ATOM 656 OD2 ASP A 43 -23.227 7.594 9.743 1.00 0.00 O ATOM 0 H ASP A 43 -21.435 10.436 7.167 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.361 7.811 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -23.057 9.547 8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -24.028 8.325 7.242 1.00 0.00 H new ATOM 661 N SER A 44 -23.706 9.532 4.826 1.00 0.00 N ATOM 662 CA SER A 44 -24.574 9.541 3.662 1.00 0.00 C ATOM 663 C SER A 44 -23.792 9.104 2.422 1.00 0.00 C ATOM 664 O SER A 44 -24.287 8.315 1.617 1.00 0.00 O ATOM 665 CB SER A 44 -25.187 10.926 3.442 1.00 0.00 C ATOM 666 OG SER A 44 -24.209 11.959 3.514 1.00 0.00 O ATOM 0 H SER A 44 -23.731 10.386 5.383 1.00 0.00 H new ATOM 0 HA SER A 44 -25.387 8.837 3.837 1.00 0.00 H new ATOM 0 HB2 SER A 44 -25.675 10.956 2.468 1.00 0.00 H new ATOM 0 HB3 SER A 44 -25.959 11.104 4.191 1.00 0.00 H new ATOM 0 HG SER A 44 -24.639 12.827 3.367 1.00 0.00 H new ATOM 672 N GLU A 45 -22.584 9.635 2.306 1.00 0.00 N ATOM 673 CA GLU A 45 -21.728 9.309 1.177 1.00 0.00 C ATOM 674 C GLU A 45 -21.401 7.815 1.173 1.00 0.00 C ATOM 675 O GLU A 45 -21.679 7.117 0.199 1.00 0.00 O ATOM 676 CB GLU A 45 -20.451 10.151 1.197 1.00 0.00 C ATOM 677 CG GLU A 45 -20.482 11.222 0.106 1.00 0.00 C ATOM 678 CD GLU A 45 -20.603 10.588 -1.282 1.00 0.00 C ATOM 679 OE1 GLU A 45 -19.713 9.776 -1.614 1.00 0.00 O ATOM 680 OE2 GLU A 45 -21.583 10.930 -1.978 1.00 0.00 O ATOM 0 H GLU A 45 -22.177 10.289 2.975 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.265 9.545 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.339 10.624 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.584 9.506 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.322 11.896 0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.575 11.824 0.157 1.00 0.00 H new ATOM 687 N ILE A 46 -20.814 7.367 2.274 1.00 0.00 N ATOM 688 CA ILE A 46 -20.446 5.968 2.409 1.00 0.00 C ATOM 689 C ILE A 46 -21.632 5.091 2.002 1.00 0.00 C ATOM 690 O ILE A 46 -21.460 4.095 1.300 1.00 0.00 O ATOM 691 CB ILE A 46 -19.928 5.685 3.821 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.666 6.499 4.116 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.705 4.186 4.032 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.395 6.564 5.620 1.00 0.00 C ATOM 0 H ILE A 46 -20.584 7.948 3.080 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.623 5.724 1.737 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.689 6.002 4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.812 6.050 3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.779 7.508 3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.337 4.012 5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.646 3.655 3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.973 3.822 3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.493 7.148 5.802 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.240 7.035 6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.259 5.555 6.009 1.00 0.00 H new ATOM 706 N ARG A 47 -22.808 5.493 2.459 1.00 0.00 N ATOM 707 CA ARG A 47 -24.022 4.757 2.150 1.00 0.00 C ATOM 708 C ARG A 47 -24.385 4.925 0.674 1.00 0.00 C ATOM 709 O ARG A 47 -24.966 4.027 0.067 1.00 0.00 O ATOM 710 CB ARG A 47 -25.191 5.235 3.013 1.00 0.00 C ATOM 711 CG ARG A 47 -25.112 4.643 4.422 1.00 0.00 C ATOM 712 CD ARG A 47 -26.507 4.488 5.031 1.00 0.00 C ATOM 713 NE ARG A 47 -26.451 3.581 6.199 1.00 0.00 N ATOM 714 CZ ARG A 47 -27.485 3.347 7.018 1.00 0.00 C ATOM 715 NH1 ARG A 47 -28.662 3.950 6.801 1.00 0.00 N ATOM 716 NH2 ARG A 47 -27.343 2.508 8.054 1.00 0.00 N ATOM 0 H ARG A 47 -22.946 6.319 3.041 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.834 3.705 2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -25.183 6.323 3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -26.133 4.948 2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -24.618 3.672 4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.504 5.287 5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -26.891 5.462 5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -27.196 4.092 4.285 1.00 0.00 H new ATOM 0 HE ARG A 47 -25.570 3.104 6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -28.771 4.587 6.012 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -29.449 3.772 7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -26.448 2.048 8.219 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -28.130 2.330 8.678 1.00 0.00 H new ATOM 730 N GLN A 48 -24.027 6.083 0.137 1.00 0.00 N ATOM 731 CA GLN A 48 -24.307 6.380 -1.257 1.00 0.00 C ATOM 732 C GLN A 48 -23.469 5.483 -2.170 1.00 0.00 C ATOM 733 O GLN A 48 -24.012 4.765 -3.008 1.00 0.00 O ATOM 734 CB GLN A 48 -24.058 7.859 -1.563 1.00 0.00 C ATOM 735 CG GLN A 48 -24.040 8.111 -3.071 1.00 0.00 C ATOM 736 CD GLN A 48 -25.447 8.006 -3.662 1.00 0.00 C ATOM 737 OE1 GLN A 48 -26.098 8.994 -3.961 1.00 0.00 O ATOM 738 NE2 GLN A 48 -25.879 6.757 -3.813 1.00 0.00 N ATOM 0 H GLN A 48 -23.545 6.826 0.643 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.361 6.175 -1.447 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -24.835 8.466 -1.099 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -23.108 8.169 -1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.630 9.101 -3.273 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.383 7.389 -3.556 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.283 5.975 -3.542 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -26.806 6.581 -4.200 1.00 0.00 H new ATOM 747 N ILE A 49 -22.161 5.553 -1.977 1.00 0.00 N ATOM 748 CA ILE A 49 -21.243 4.756 -2.773 1.00 0.00 C ATOM 749 C ILE A 49 -21.640 3.282 -2.678 1.00 0.00 C ATOM 750 O ILE A 49 -21.725 2.591 -3.692 1.00 0.00 O ATOM 751 CB ILE A 49 -19.796 5.031 -2.358 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.402 6.477 -2.667 1.00 0.00 C ATOM 753 CG2 ILE A 49 -18.840 4.026 -3.004 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.383 6.997 -1.652 1.00 0.00 C ATOM 0 H ILE A 49 -21.714 6.150 -1.281 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.308 5.037 -3.824 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.720 4.900 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -18.983 6.537 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.289 7.110 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -17.818 4.244 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.107 3.017 -2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -18.912 4.101 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.120 8.027 -1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.814 6.959 -0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.487 6.377 -1.685 1.00 0.00 H new ATOM 766 N GLU A 50 -21.873 2.843 -1.449 1.00 0.00 N ATOM 767 CA GLU A 50 -22.259 1.463 -1.209 1.00 0.00 C ATOM 768 C GLU A 50 -23.461 1.089 -2.078 1.00 0.00 C ATOM 769 O GLU A 50 -23.512 -0.007 -2.635 1.00 0.00 O ATOM 770 CB GLU A 50 -22.560 1.229 0.273 1.00 0.00 C ATOM 771 CG GLU A 50 -21.405 0.496 0.958 1.00 0.00 C ATOM 772 CD GLU A 50 -21.911 -0.358 2.122 1.00 0.00 C ATOM 773 OE1 GLU A 50 -22.923 -1.061 1.913 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.274 -0.289 3.196 1.00 0.00 O ATOM 0 H GLU A 50 -21.802 3.418 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.423 0.819 -1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.733 2.185 0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.476 0.647 0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.891 -0.137 0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.676 1.219 1.323 1.00 0.00 H new ATOM 781 N CYS A 51 -24.400 2.020 -2.167 1.00 0.00 N ATOM 782 CA CYS A 51 -25.598 1.802 -2.959 1.00 0.00 C ATOM 783 C CYS A 51 -25.231 1.952 -4.437 1.00 0.00 C ATOM 784 O CYS A 51 -25.578 1.102 -5.256 1.00 0.00 O ATOM 785 CB CYS A 51 -26.726 2.752 -2.553 1.00 0.00 C ATOM 786 SG CYS A 51 -28.342 1.909 -2.712 1.00 0.00 S ATOM 0 H CYS A 51 -24.355 2.927 -1.703 1.00 0.00 H new ATOM 0 HA CYS A 51 -25.977 0.796 -2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.580 3.085 -1.525 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.707 3.642 -3.182 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.293 2.724 -2.363 1.00 0.00 H new ATOM 792 N ASP A 52 -24.534 3.039 -4.733 1.00 0.00 N ATOM 793 CA ASP A 52 -24.116 3.311 -6.098 1.00 0.00 C ATOM 794 C ASP A 52 -23.680 2.003 -6.764 1.00 0.00 C ATOM 795 O ASP A 52 -24.230 1.614 -7.793 1.00 0.00 O ATOM 796 CB ASP A 52 -22.928 4.275 -6.129 1.00 0.00 C ATOM 797 CG ASP A 52 -23.060 5.431 -7.122 1.00 0.00 C ATOM 798 OD1 ASP A 52 -23.670 5.198 -8.187 1.00 0.00 O ATOM 799 OD2 ASP A 52 -22.547 6.523 -6.793 1.00 0.00 O ATOM 0 H ASP A 52 -24.248 3.742 -4.051 1.00 0.00 H new ATOM 0 HA ASP A 52 -24.958 3.759 -6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -22.788 4.688 -5.130 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.027 3.710 -6.369 1.00 0.00 H new ATOM 804 N SER A 53 -22.697 1.362 -6.149 1.00 0.00 N ATOM 805 CA SER A 53 -22.182 0.107 -6.669 1.00 0.00 C ATOM 806 C SER A 53 -22.065 -0.919 -5.540 1.00 0.00 C ATOM 807 O SER A 53 -21.955 -0.551 -4.371 1.00 0.00 O ATOM 808 CB SER A 53 -20.825 0.307 -7.347 1.00 0.00 C ATOM 809 OG SER A 53 -20.812 1.460 -8.184 1.00 0.00 O ATOM 0 H SER A 53 -22.244 1.688 -5.296 1.00 0.00 H new ATOM 0 HA SER A 53 -22.881 -0.265 -7.418 1.00 0.00 H new ATOM 0 HB2 SER A 53 -20.050 0.402 -6.586 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.583 -0.575 -7.940 1.00 0.00 H new ATOM 0 HG SER A 53 -20.319 1.261 -9.007 1.00 0.00 H new ATOM 815 N GLU A 54 -22.093 -2.185 -5.928 1.00 0.00 N ATOM 816 CA GLU A 54 -21.992 -3.266 -4.963 1.00 0.00 C ATOM 817 C GLU A 54 -20.529 -3.675 -4.776 1.00 0.00 C ATOM 818 O GLU A 54 -20.042 -3.752 -3.649 1.00 0.00 O ATOM 819 CB GLU A 54 -22.845 -4.463 -5.389 1.00 0.00 C ATOM 820 CG GLU A 54 -24.330 -4.197 -5.131 1.00 0.00 C ATOM 821 CD GLU A 54 -24.662 -4.335 -3.644 1.00 0.00 C ATOM 822 OE1 GLU A 54 -24.326 -5.401 -3.084 1.00 0.00 O ATOM 823 OE2 GLU A 54 -25.244 -3.372 -3.101 1.00 0.00 O ATOM 0 H GLU A 54 -22.184 -2.487 -6.898 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.375 -2.910 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -22.687 -4.668 -6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -22.530 -5.352 -4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.588 -3.195 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.934 -4.897 -5.709 1.00 0.00 H new ATOM 830 N ASP A 55 -19.870 -3.926 -5.897 1.00 0.00 N ATOM 831 CA ASP A 55 -18.473 -4.325 -5.870 1.00 0.00 C ATOM 832 C ASP A 55 -17.651 -3.240 -5.172 1.00 0.00 C ATOM 833 O ASP A 55 -17.970 -2.056 -5.267 1.00 0.00 O ATOM 834 CB ASP A 55 -17.922 -4.497 -7.287 1.00 0.00 C ATOM 835 CG ASP A 55 -17.518 -5.926 -7.654 1.00 0.00 C ATOM 836 OD1 ASP A 55 -17.489 -6.764 -6.727 1.00 0.00 O ATOM 837 OD2 ASP A 55 -17.248 -6.149 -8.854 1.00 0.00 O ATOM 0 H ASP A 55 -20.277 -3.861 -6.830 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.403 -5.274 -5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.674 -4.154 -7.997 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.054 -3.848 -7.404 1.00 0.00 H new ATOM 842 N MET A 56 -16.607 -3.682 -4.486 1.00 0.00 N ATOM 843 CA MET A 56 -15.736 -2.763 -3.772 1.00 0.00 C ATOM 844 C MET A 56 -14.943 -1.891 -4.747 1.00 0.00 C ATOM 845 O MET A 56 -14.853 -0.677 -4.568 1.00 0.00 O ATOM 846 CB MET A 56 -14.768 -3.557 -2.893 1.00 0.00 C ATOM 847 CG MET A 56 -15.527 -4.448 -1.907 1.00 0.00 C ATOM 848 SD MET A 56 -16.150 -3.467 -0.552 1.00 0.00 S ATOM 849 CE MET A 56 -16.549 -4.762 0.610 1.00 0.00 C ATOM 0 H MET A 56 -16.344 -4.665 -4.409 1.00 0.00 H new ATOM 0 HA MET A 56 -16.354 -2.113 -3.152 1.00 0.00 H new ATOM 0 HB2 MET A 56 -14.122 -4.171 -3.520 1.00 0.00 H new ATOM 0 HB3 MET A 56 -14.122 -2.871 -2.345 1.00 0.00 H new ATOM 0 HG2 MET A 56 -16.352 -4.946 -2.416 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.868 -5.229 -1.528 1.00 0.00 H new ATOM 0 HE1 MET A 56 -16.318 -4.427 1.621 1.00 0.00 H new ATOM 0 HE2 MET A 56 -17.610 -5.000 0.540 1.00 0.00 H new ATOM 0 HE3 MET A 56 -15.962 -5.651 0.380 1.00 0.00 H new ATOM 859 N LYS A 57 -14.387 -2.543 -5.757 1.00 0.00 N ATOM 860 CA LYS A 57 -13.604 -1.842 -6.761 1.00 0.00 C ATOM 861 C LYS A 57 -14.326 -0.553 -7.156 1.00 0.00 C ATOM 862 O LYS A 57 -13.749 0.531 -7.092 1.00 0.00 O ATOM 863 CB LYS A 57 -13.300 -2.764 -7.943 1.00 0.00 C ATOM 864 CG LYS A 57 -12.205 -3.772 -7.586 1.00 0.00 C ATOM 865 CD LYS A 57 -11.923 -4.714 -8.758 1.00 0.00 C ATOM 866 CE LYS A 57 -11.681 -6.142 -8.267 1.00 0.00 C ATOM 867 NZ LYS A 57 -10.951 -6.925 -9.290 1.00 0.00 N ATOM 0 H LYS A 57 -14.463 -3.550 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.635 -1.553 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.206 -3.295 -8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.986 -2.170 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.293 -3.242 -7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.509 -4.351 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.765 -4.701 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.051 -4.363 -9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.109 -6.122 -7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.634 -6.623 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.795 -7.892 -8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.511 -6.959 -10.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.034 -6.474 -9.483 1.00 0.00 H new ATOM 881 N MET A 58 -15.579 -0.713 -7.556 1.00 0.00 N ATOM 882 CA MET A 58 -16.387 0.425 -7.961 1.00 0.00 C ATOM 883 C MET A 58 -16.535 1.428 -6.816 1.00 0.00 C ATOM 884 O MET A 58 -16.240 2.611 -6.980 1.00 0.00 O ATOM 885 CB MET A 58 -17.771 -0.060 -8.397 1.00 0.00 C ATOM 886 CG MET A 58 -17.790 -0.390 -9.891 1.00 0.00 C ATOM 887 SD MET A 58 -18.616 0.910 -10.793 1.00 0.00 S ATOM 888 CE MET A 58 -17.376 2.190 -10.696 1.00 0.00 C ATOM 0 H MET A 58 -16.055 -1.614 -7.608 1.00 0.00 H new ATOM 0 HA MET A 58 -15.888 0.923 -8.793 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.049 -0.943 -7.822 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.514 0.707 -8.181 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.771 -0.508 -10.259 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.300 -1.339 -10.056 1.00 0.00 H new ATOM 0 HE1 MET A 58 -17.650 3.012 -11.357 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.309 2.555 -9.671 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.411 1.785 -11.001 1.00 0.00 H new ATOM 898 N ARG A 59 -16.992 0.919 -5.681 1.00 0.00 N ATOM 899 CA ARG A 59 -17.183 1.756 -4.509 1.00 0.00 C ATOM 900 C ARG A 59 -15.912 2.554 -4.214 1.00 0.00 C ATOM 901 O ARG A 59 -15.979 3.743 -3.905 1.00 0.00 O ATOM 902 CB ARG A 59 -17.544 0.913 -3.284 1.00 0.00 C ATOM 903 CG ARG A 59 -18.921 0.268 -3.448 1.00 0.00 C ATOM 904 CD ARG A 59 -19.174 -0.770 -2.353 1.00 0.00 C ATOM 905 NE ARG A 59 -20.593 -1.191 -2.373 1.00 0.00 N ATOM 906 CZ ARG A 59 -21.086 -2.206 -1.650 1.00 0.00 C ATOM 907 NH1 ARG A 59 -20.278 -2.909 -0.845 1.00 0.00 N ATOM 908 NH2 ARG A 59 -22.387 -2.517 -1.732 1.00 0.00 N ATOM 0 H ARG A 59 -17.235 -0.063 -5.548 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.005 2.440 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.791 0.139 -3.137 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.536 1.539 -2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.693 1.036 -3.411 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.990 -0.207 -4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.527 -1.635 -2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.924 -0.351 -1.378 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.236 -0.676 -2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.288 -2.672 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.653 -3.682 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.002 -1.981 -2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -22.762 -3.290 -1.182 1.00 0.00 H new ATOM 922 N ALA A 60 -14.783 1.869 -4.320 1.00 0.00 N ATOM 923 CA ALA A 60 -13.498 2.500 -4.068 1.00 0.00 C ATOM 924 C ALA A 60 -13.306 3.663 -5.044 1.00 0.00 C ATOM 925 O ALA A 60 -13.183 4.813 -4.626 1.00 0.00 O ATOM 926 CB ALA A 60 -12.386 1.455 -4.181 1.00 0.00 C ATOM 0 H ALA A 60 -14.731 0.883 -4.577 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.462 2.908 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.422 1.928 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.553 0.665 -3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.390 1.027 -5.183 1.00 0.00 H new ATOM 932 N LYS A 61 -13.287 3.323 -6.324 1.00 0.00 N ATOM 933 CA LYS A 61 -13.113 4.325 -7.362 1.00 0.00 C ATOM 934 C LYS A 61 -13.957 5.556 -7.024 1.00 0.00 C ATOM 935 O LYS A 61 -13.439 6.670 -6.961 1.00 0.00 O ATOM 936 CB LYS A 61 -13.417 3.730 -8.738 1.00 0.00 C ATOM 937 CG LYS A 61 -12.938 4.659 -9.855 1.00 0.00 C ATOM 938 CD LYS A 61 -13.727 4.420 -11.144 1.00 0.00 C ATOM 939 CE LYS A 61 -13.176 5.269 -12.290 1.00 0.00 C ATOM 940 NZ LYS A 61 -14.187 5.412 -13.362 1.00 0.00 N ATOM 0 H LYS A 61 -13.389 2.368 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.074 4.652 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.931 2.759 -8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.489 3.560 -8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.051 5.697 -9.543 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.876 4.495 -10.039 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.679 3.365 -11.413 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.778 4.660 -10.981 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.891 6.253 -11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.274 4.807 -12.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.797 5.991 -14.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.439 4.472 -13.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.037 5.873 -12.979 1.00 0.00 H new ATOM 954 N GLN A 62 -15.242 5.313 -6.815 1.00 0.00 N ATOM 955 CA GLN A 62 -16.163 6.387 -6.485 1.00 0.00 C ATOM 956 C GLN A 62 -15.610 7.223 -5.329 1.00 0.00 C ATOM 957 O GLN A 62 -15.612 8.452 -5.391 1.00 0.00 O ATOM 958 CB GLN A 62 -17.551 5.837 -6.149 1.00 0.00 C ATOM 959 CG GLN A 62 -18.356 5.566 -7.421 1.00 0.00 C ATOM 960 CD GLN A 62 -18.750 6.874 -8.109 1.00 0.00 C ATOM 961 OE1 GLN A 62 -18.191 7.267 -9.120 1.00 0.00 O ATOM 962 NE2 GLN A 62 -19.743 7.524 -7.507 1.00 0.00 N ATOM 0 H GLN A 62 -15.668 4.388 -6.868 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.266 7.032 -7.358 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.452 4.916 -5.574 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.086 6.549 -5.521 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.768 4.954 -8.105 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.252 4.996 -7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.167 7.139 -6.663 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -20.080 8.407 -7.890 1.00 0.00 H new ATOM 971 N LEU A 63 -15.151 6.524 -4.301 1.00 0.00 N ATOM 972 CA LEU A 63 -14.597 7.187 -3.133 1.00 0.00 C ATOM 973 C LEU A 63 -13.452 8.104 -3.568 1.00 0.00 C ATOM 974 O LEU A 63 -13.460 9.298 -3.270 1.00 0.00 O ATOM 975 CB LEU A 63 -14.193 6.158 -2.075 1.00 0.00 C ATOM 976 CG LEU A 63 -13.426 6.703 -0.868 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.281 7.698 -0.079 1.00 0.00 C ATOM 978 CD2 LEU A 63 -12.911 5.565 0.014 1.00 0.00 C ATOM 0 H LEU A 63 -15.152 5.505 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.349 7.818 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.095 5.664 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.581 5.394 -2.555 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.555 7.246 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.713 8.070 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.556 8.532 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.184 7.201 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.370 5.980 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.753 4.974 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.242 4.929 -0.566 1.00 0.00 H new ATOM 990 N LEU A 64 -12.494 7.512 -4.265 1.00 0.00 N ATOM 991 CA LEU A 64 -11.344 8.260 -4.744 1.00 0.00 C ATOM 992 C LEU A 64 -11.827 9.477 -5.536 1.00 0.00 C ATOM 993 O LEU A 64 -11.238 10.553 -5.449 1.00 0.00 O ATOM 994 CB LEU A 64 -10.401 7.348 -5.531 1.00 0.00 C ATOM 995 CG LEU A 64 -9.605 6.334 -4.707 1.00 0.00 C ATOM 996 CD1 LEU A 64 -9.675 6.665 -3.215 1.00 0.00 C ATOM 997 CD2 LEU A 64 -10.068 4.906 -5.000 1.00 0.00 C ATOM 0 H LEU A 64 -12.490 6.522 -4.510 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.758 8.637 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.988 6.804 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.697 7.973 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.558 6.400 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.101 5.929 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.260 7.658 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.714 6.644 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.486 4.205 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.124 4.807 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.924 4.687 -6.058 1.00 0.00 H new ATOM 1009 N VAL A 65 -12.895 9.265 -6.292 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.463 10.331 -7.099 1.00 0.00 C ATOM 1011 C VAL A 65 -14.054 11.402 -6.180 1.00 0.00 C ATOM 1012 O VAL A 65 -13.596 12.543 -6.177 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.487 9.755 -8.080 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.101 10.859 -8.943 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -13.859 8.665 -8.951 1.00 0.00 C ATOM 0 H VAL A 65 -13.381 8.371 -6.362 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.689 10.809 -7.699 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.288 9.299 -7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.825 10.423 -9.631 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.601 11.586 -8.303 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.315 11.356 -9.511 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.608 8.273 -9.639 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.030 9.086 -9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.492 7.859 -8.316 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.061 10.995 -5.421 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.719 11.905 -4.500 1.00 0.00 C ATOM 1027 C ALA A 66 -14.673 12.534 -3.577 1.00 0.00 C ATOM 1028 O ALA A 66 -14.824 13.678 -3.150 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.803 11.153 -3.725 1.00 0.00 C ATOM 0 H ALA A 66 -15.437 10.047 -5.425 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.208 12.713 -5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.297 11.836 -3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.537 10.751 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.349 10.336 -3.165 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.635 11.759 -3.297 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.564 12.226 -2.433 1.00 0.00 C ATOM 1037 C TRP A 67 -11.688 13.184 -3.242 1.00 0.00 C ATOM 1038 O TRP A 67 -11.022 14.050 -2.676 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.781 11.050 -1.846 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.427 11.440 -1.250 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.173 11.928 -0.028 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.143 11.353 -1.903 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.825 12.162 0.153 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.179 11.801 -1.023 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.807 10.911 -3.195 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.816 11.850 -1.340 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.441 10.967 -3.496 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.458 11.415 -2.621 1.00 0.00 C ATOM 0 H TRP A 67 -13.513 10.811 -3.653 1.00 0.00 H new ATOM 0 HA TRP A 67 -12.967 12.764 -1.575 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.384 10.575 -1.072 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.622 10.306 -2.627 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.928 12.115 0.721 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.384 12.532 0.995 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.545 10.556 -3.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.080 12.205 -0.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.129 10.639 -4.477 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.423 11.427 -2.928 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.715 12.996 -4.553 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.932 13.833 -5.446 1.00 0.00 C ATOM 1061 C GLN A 68 -11.718 15.091 -5.821 1.00 0.00 C ATOM 1062 O GLN A 68 -11.129 16.132 -6.108 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.510 13.057 -6.695 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.673 13.934 -7.629 1.00 0.00 C ATOM 1065 CD GLN A 68 -8.945 13.085 -8.673 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -9.056 13.295 -9.869 1.00 0.00 O ATOM 1067 NE2 GLN A 68 -8.195 12.116 -8.154 1.00 0.00 N ATOM 0 H GLN A 68 -12.267 12.276 -5.019 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.025 14.138 -4.924 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.935 12.178 -6.404 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.395 12.700 -7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.317 14.657 -8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.947 14.502 -7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.146 11.995 -7.142 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.669 11.494 -8.768 1.00 0.00 H new ATOM 1076 N ASP A 69 -13.035 14.953 -5.807 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.908 16.065 -6.142 1.00 0.00 C ATOM 1078 C ASP A 69 -14.072 16.967 -4.917 1.00 0.00 C ATOM 1079 O ASP A 69 -14.104 18.190 -5.042 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.296 15.571 -6.555 1.00 0.00 C ATOM 1081 CG ASP A 69 -16.279 16.670 -6.962 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -15.890 17.489 -7.823 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -17.397 16.667 -6.403 1.00 0.00 O ATOM 0 H ASP A 69 -13.519 14.088 -5.569 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.457 16.609 -6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.185 14.877 -7.388 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.726 15.008 -5.727 1.00 0.00 H new ATOM 1088 N GLN A 70 -14.170 16.328 -3.761 1.00 0.00 N ATOM 1089 CA GLN A 70 -14.330 17.057 -2.514 1.00 0.00 C ATOM 1090 C GLN A 70 -13.050 17.827 -2.182 1.00 0.00 C ATOM 1091 O GLN A 70 -13.103 19.007 -1.838 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.713 16.113 -1.372 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.484 15.381 -0.830 1.00 0.00 C ATOM 1094 CD GLN A 70 -13.877 14.386 0.264 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -15.041 14.093 0.483 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -12.845 13.886 0.937 1.00 0.00 N ATOM 0 H GLN A 70 -14.142 15.313 -3.661 1.00 0.00 H new ATOM 0 HA GLN A 70 -15.142 17.774 -2.637 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.186 16.680 -0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.446 15.388 -1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.982 14.855 -1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.772 16.104 -0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.895 14.174 0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.003 13.214 1.688 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.930 17.128 -2.298 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.639 17.732 -2.015 1.00 0.00 C ATOM 1107 C GLU A 71 -10.262 18.722 -3.119 1.00 0.00 C ATOM 1108 O GLU A 71 -9.747 19.803 -2.838 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.559 16.662 -1.846 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.656 15.997 -0.471 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.632 16.590 0.499 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -8.938 17.666 1.058 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -7.568 15.955 0.660 1.00 0.00 O ATOM 0 H GLU A 71 -11.890 16.150 -2.584 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.714 18.278 -1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.663 15.908 -2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.574 17.112 -1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.661 16.129 -0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.490 14.924 -0.569 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.534 18.317 -4.351 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.230 19.155 -5.498 1.00 0.00 C ATOM 1122 C GLY A 72 -8.826 18.865 -6.032 1.00 0.00 C ATOM 1123 O GLY A 72 -8.562 17.773 -6.533 1.00 0.00 O ATOM 0 H GLY A 72 -10.962 17.420 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.965 18.982 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.306 20.205 -5.216 1.00 0.00 H new ATOM 1127 N VAL A 73 -7.962 19.862 -5.907 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.592 19.728 -6.371 1.00 0.00 C ATOM 1129 C VAL A 73 -5.698 19.321 -5.198 1.00 0.00 C ATOM 1130 O VAL A 73 -4.474 19.324 -5.315 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.139 21.024 -7.046 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -7.232 21.575 -7.965 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.718 22.065 -6.008 1.00 0.00 C ATOM 0 H VAL A 73 -8.185 20.766 -5.491 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.519 18.943 -7.123 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.269 20.795 -7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.884 22.496 -8.432 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.462 20.841 -8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.129 21.781 -7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.401 22.976 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.561 22.288 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.892 21.673 -5.414 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.346 18.980 -4.093 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.625 18.571 -2.899 1.00 0.00 C ATOM 1145 C HIS A 74 -5.609 17.044 -2.807 1.00 0.00 C ATOM 1146 O HIS A 74 -4.901 16.476 -1.977 1.00 0.00 O ATOM 1147 CB HIS A 74 -6.216 19.234 -1.654 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.278 20.741 -1.730 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -5.566 21.565 -0.875 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -6.971 21.563 -2.569 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -5.829 22.824 -1.193 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -6.700 22.821 -2.243 1.00 0.00 N ATOM 0 H HIS A 74 -7.362 18.979 -4.000 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.590 18.907 -2.962 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.222 18.847 -1.492 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.621 18.949 -0.786 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -7.629 21.244 -3.364 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.425 23.699 -0.706 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -7.080 23.649 -2.702 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.397 16.423 -3.672 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.482 14.973 -3.699 1.00 0.00 C ATOM 1162 C ALA A 75 -5.174 14.399 -4.247 1.00 0.00 C ATOM 1163 O ALA A 75 -5.104 14.004 -5.410 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.697 14.547 -4.526 1.00 0.00 C ATOM 0 H ALA A 75 -6.982 16.898 -4.359 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.619 14.579 -2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.760 13.459 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.603 14.955 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.594 14.923 -5.544 1.00 0.00 H new ATOM 1170 N THR A 76 -4.169 14.372 -3.383 1.00 0.00 N ATOM 1171 CA THR A 76 -2.867 13.854 -3.766 1.00 0.00 C ATOM 1172 C THR A 76 -2.667 12.446 -3.202 1.00 0.00 C ATOM 1173 O THR A 76 -3.361 12.041 -2.271 1.00 0.00 O ATOM 1174 CB THR A 76 -1.805 14.852 -3.301 1.00 0.00 C ATOM 1175 OG1 THR A 76 -1.971 14.901 -1.886 1.00 0.00 O ATOM 1176 CG2 THR A 76 -2.103 16.280 -3.760 1.00 0.00 C ATOM 0 H THR A 76 -4.231 14.701 -2.419 1.00 0.00 H new ATOM 0 HA THR A 76 -2.785 13.752 -4.848 1.00 0.00 H new ATOM 0 HB THR A 76 -0.829 14.546 -3.678 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.102 14.777 -1.450 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.319 16.948 -3.403 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.139 16.312 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.063 16.599 -3.355 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.688 11.719 -3.805 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.388 10.365 -3.373 1.00 0.00 C ATOM 1186 C PRO A 77 -0.617 10.369 -2.051 1.00 0.00 C ATOM 1187 O PRO A 77 -0.805 9.486 -1.216 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.598 9.752 -4.518 1.00 0.00 C ATOM 1189 CG PRO A 77 -0.087 10.921 -5.345 1.00 0.00 C ATOM 1190 CD PRO A 77 -0.846 12.165 -4.911 1.00 0.00 C ATOM 0 HA PRO A 77 -2.285 9.781 -3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.228 9.148 -4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.227 9.094 -5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.984 11.056 -5.195 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.239 10.732 -6.408 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.164 12.955 -4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.445 12.568 -5.727 1.00 0.00 H new ATOM 1198 N GLU A 78 0.234 11.374 -1.903 1.00 0.00 N ATOM 1199 CA GLU A 78 1.034 11.506 -0.697 1.00 0.00 C ATOM 1200 C GLU A 78 0.130 11.729 0.518 1.00 0.00 C ATOM 1201 O GLU A 78 0.462 11.315 1.627 1.00 0.00 O ATOM 1202 CB GLU A 78 2.054 12.637 -0.836 1.00 0.00 C ATOM 1203 CG GLU A 78 3.193 12.475 0.172 1.00 0.00 C ATOM 1204 CD GLU A 78 3.324 13.717 1.056 1.00 0.00 C ATOM 1205 OE1 GLU A 78 3.765 14.754 0.516 1.00 0.00 O ATOM 1206 OE2 GLU A 78 2.979 13.601 2.252 1.00 0.00 O ATOM 0 H GLU A 78 0.387 12.104 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 78 1.587 10.579 -0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.458 12.645 -1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.561 13.597 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.011 11.599 0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.130 12.301 -0.357 1.00 0.00 H new ATOM 1213 N ASN A 79 -0.995 12.383 0.266 1.00 0.00 N ATOM 1214 CA ASN A 79 -1.948 12.666 1.325 1.00 0.00 C ATOM 1215 C ASN A 79 -2.740 11.397 1.646 1.00 0.00 C ATOM 1216 O ASN A 79 -2.876 11.023 2.810 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.942 13.747 0.896 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.292 15.132 0.924 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.176 15.313 1.383 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -3.050 16.096 0.409 1.00 0.00 N ATOM 0 H ASN A 79 -1.267 12.725 -0.656 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.391 13.012 2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.307 13.533 -0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.807 13.734 1.559 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.706 17.056 0.382 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.976 15.876 0.041 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.241 10.769 0.593 1.00 0.00 N ATOM 1228 CA LEU A 80 -4.016 9.549 0.747 1.00 0.00 C ATOM 1229 C LEU A 80 -3.152 8.484 1.425 1.00 0.00 C ATOM 1230 O LEU A 80 -3.613 7.788 2.329 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.594 9.107 -0.599 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.697 8.048 -0.540 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.977 8.624 0.068 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -5.942 7.435 -1.920 1.00 0.00 C ATOM 0 H LEU A 80 -3.126 11.082 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.876 9.723 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.989 9.986 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.780 8.721 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.364 7.243 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.745 7.851 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.774 8.974 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.326 9.458 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.730 6.685 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.245 8.217 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.026 6.965 -2.277 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.914 8.390 0.963 1.00 0.00 N ATOM 1247 CA ILE A 81 -0.981 7.421 1.513 1.00 0.00 C ATOM 1248 C ILE A 81 -0.880 7.620 3.027 1.00 0.00 C ATOM 1249 O ILE A 81 -0.901 6.653 3.787 1.00 0.00 O ATOM 1250 CB ILE A 81 0.365 7.503 0.791 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.282 6.866 -0.597 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.481 6.888 1.638 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.588 7.064 -1.371 1.00 0.00 C ATOM 0 H ILE A 81 -1.535 8.969 0.214 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.344 6.407 1.347 1.00 0.00 H new ATOM 0 HB ILE A 81 0.612 8.555 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.070 5.801 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.545 7.306 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.427 6.960 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.559 7.425 2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.254 5.840 1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.502 6.602 -2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.784 8.130 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.409 6.602 -0.823 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.771 8.881 3.420 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.666 9.219 4.829 1.00 0.00 C ATOM 1267 C ASN A 82 -1.839 8.595 5.588 1.00 0.00 C ATOM 1268 O ASN A 82 -1.648 7.972 6.630 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.721 10.734 5.037 1.00 0.00 C ATOM 1270 CG ASN A 82 0.364 11.193 6.014 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.445 11.609 5.631 1.00 0.00 O ATOM 1272 ND2 ASN A 82 0.016 11.094 7.294 1.00 0.00 N ATOM 0 H ASN A 82 -0.753 9.681 2.787 1.00 0.00 H new ATOM 0 HA ASN A 82 0.287 8.838 5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.592 11.241 4.081 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.702 11.017 5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.671 11.375 8.024 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.906 10.737 7.546 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.028 8.784 5.034 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.232 8.247 5.645 1.00 0.00 C ATOM 1281 C ALA A 83 -4.146 6.720 5.675 1.00 0.00 C ATOM 1282 O ALA A 83 -4.393 6.101 6.709 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.460 8.747 4.881 1.00 0.00 C ATOM 0 H ALA A 83 -3.183 9.301 4.169 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.326 8.592 6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.363 8.344 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.491 9.836 4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.402 8.418 3.844 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.796 6.156 4.529 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.674 4.713 4.410 1.00 0.00 C ATOM 1291 C LEU A 84 -2.848 4.178 5.582 1.00 0.00 C ATOM 1292 O LEU A 84 -3.157 3.121 6.132 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.114 4.333 3.038 1.00 0.00 C ATOM 1294 CG LEU A 84 -4.025 4.613 1.841 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.211 4.741 0.552 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.120 3.552 1.725 1.00 0.00 C ATOM 0 H LEU A 84 -3.593 6.673 3.673 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.655 4.241 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.177 4.869 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.875 3.269 3.047 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.521 5.570 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.882 4.940 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.501 5.562 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.670 3.813 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.753 3.775 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.664 2.571 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.725 3.553 2.632 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.815 4.931 5.929 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.942 4.545 7.025 1.00 0.00 C ATOM 1310 C ASN A 85 -1.771 4.396 8.302 1.00 0.00 C ATOM 1311 O ASN A 85 -1.943 3.289 8.809 1.00 0.00 O ATOM 1312 CB ASN A 85 0.128 5.608 7.277 1.00 0.00 C ATOM 1313 CG ASN A 85 1.529 5.045 7.030 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.146 4.445 7.895 1.00 0.00 O ATOM 1315 ND2 ASN A 85 1.995 5.271 5.805 1.00 0.00 N ATOM 0 H ASN A 85 -1.563 5.807 5.471 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.460 3.605 6.758 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -0.044 6.464 6.625 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.053 5.969 8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.921 4.935 5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.426 5.780 5.129 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.262 5.528 8.786 1.00 0.00 N ATOM 1323 CA LYS A 86 -3.068 5.537 9.995 1.00 0.00 C ATOM 1324 C LYS A 86 -4.243 4.572 9.827 1.00 0.00 C ATOM 1325 O LYS A 86 -4.656 3.918 10.783 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.491 6.965 10.346 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.267 7.606 9.194 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.579 9.074 9.492 1.00 0.00 C ATOM 1329 CE LYS A 86 -5.614 9.197 10.613 1.00 0.00 C ATOM 1330 NZ LYS A 86 -5.816 10.618 10.977 1.00 0.00 N ATOM 0 H LYS A 86 -2.117 6.445 8.363 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.484 5.184 10.845 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.109 6.955 11.244 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.609 7.564 10.573 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.686 7.534 8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.196 7.060 9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.664 9.593 9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.953 9.560 8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.560 8.759 10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.282 8.635 11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.521 10.684 11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.916 11.024 11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.154 11.145 10.146 1.00 0.00 H new ATOM 1344 N SER A 87 -4.749 4.513 8.603 1.00 0.00 N ATOM 1345 CA SER A 87 -5.868 3.638 8.297 1.00 0.00 C ATOM 1346 C SER A 87 -5.440 2.175 8.429 1.00 0.00 C ATOM 1347 O SER A 87 -6.275 1.273 8.375 1.00 0.00 O ATOM 1348 CB SER A 87 -6.410 3.908 6.892 1.00 0.00 C ATOM 1349 OG SER A 87 -5.811 3.059 5.917 1.00 0.00 O ATOM 0 H SER A 87 -4.404 5.057 7.812 1.00 0.00 H new ATOM 0 HA SER A 87 -6.666 3.842 9.010 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.490 3.762 6.886 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.228 4.949 6.627 1.00 0.00 H new ATOM 0 HG SER A 87 -4.860 2.942 6.125 1.00 0.00 H new ATOM 1355 N GLY A 88 -4.140 1.985 8.600 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.592 0.647 8.740 1.00 0.00 C ATOM 1357 C GLY A 88 -3.604 -0.094 7.401 1.00 0.00 C ATOM 1358 O GLY A 88 -3.700 -1.320 7.367 1.00 0.00 O ATOM 0 H GLY A 88 -3.451 2.735 8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.571 0.706 9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.172 0.088 9.474 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.505 0.682 6.331 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.504 0.115 4.994 1.00 0.00 C ATOM 1364 C LEU A 89 -2.103 0.242 4.392 1.00 0.00 C ATOM 1365 O LEU A 89 -1.957 0.539 3.208 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.600 0.754 4.139 1.00 0.00 C ATOM 1367 CG LEU A 89 -5.975 0.086 4.202 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.211 -0.555 5.570 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -7.083 1.075 3.833 1.00 0.00 C ATOM 0 H LEU A 89 -3.425 1.698 6.364 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.741 -0.948 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.710 1.795 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.267 0.758 3.101 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.000 -0.715 3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.195 -1.023 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.447 -1.310 5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.159 0.210 6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.050 0.574 3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.070 1.913 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.920 1.443 2.820 1.00 0.00 H new ATOM 1381 N SER A 90 -1.108 0.009 5.236 1.00 0.00 N ATOM 1382 CA SER A 90 0.276 0.094 4.803 1.00 0.00 C ATOM 1383 C SER A 90 0.415 -0.460 3.383 1.00 0.00 C ATOM 1384 O SER A 90 1.142 0.099 2.563 1.00 0.00 O ATOM 1385 CB SER A 90 1.200 -0.661 5.760 1.00 0.00 C ATOM 1386 OG SER A 90 0.708 -1.964 6.061 1.00 0.00 O ATOM 0 H SER A 90 -1.233 -0.239 6.218 1.00 0.00 H new ATOM 0 HA SER A 90 0.572 1.143 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.193 -0.742 5.317 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.308 -0.092 6.683 1.00 0.00 H new ATOM 0 HG SER A 90 1.327 -2.414 6.673 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.294 -1.552 3.137 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.259 -2.188 1.831 1.00 0.00 C ATOM 1394 C ASP A 91 -0.464 -1.128 0.747 1.00 0.00 C ATOM 1395 O ASP A 91 0.356 -0.995 -0.160 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.374 -3.226 1.693 1.00 0.00 C ATOM 1397 CG ASP A 91 -1.263 -4.424 2.639 1.00 0.00 C ATOM 1398 OD1 ASP A 91 -0.370 -5.262 2.390 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -2.073 -4.474 3.589 1.00 0.00 O ATOM 0 H ASP A 91 -0.896 -2.012 3.820 1.00 0.00 H new ATOM 0 HA ASP A 91 0.707 -2.680 1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.331 -2.734 1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.384 -3.592 0.666 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.563 -0.399 0.876 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.886 0.645 -0.081 1.00 0.00 C ATOM 1406 C LEU A 92 -0.739 1.655 -0.134 1.00 0.00 C ATOM 1407 O LEU A 92 -0.112 1.834 -1.177 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.243 1.272 0.247 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.435 0.752 -0.560 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.825 1.742 -1.659 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.152 -0.644 -1.119 1.00 0.00 C ATOM 0 H LEU A 92 -2.241 -0.511 1.630 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.988 0.225 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.449 1.112 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.169 2.349 0.096 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.289 0.662 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.674 1.349 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.097 2.697 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.982 1.887 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.015 -0.990 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.279 -0.605 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.960 -1.333 -0.297 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.498 2.289 1.004 1.00 0.00 N ATOM 1424 CA ALA A 93 0.564 3.276 1.101 1.00 0.00 C ATOM 1425 C ALA A 93 1.759 2.817 0.264 1.00 0.00 C ATOM 1426 O ALA A 93 2.364 3.615 -0.451 1.00 0.00 O ATOM 1427 CB ALA A 93 0.929 3.491 2.571 1.00 0.00 C ATOM 0 H ALA A 93 -1.020 2.138 1.867 1.00 0.00 H new ATOM 0 HA ALA A 93 0.233 4.236 0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.726 4.231 2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.054 3.845 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.268 2.550 3.003 1.00 0.00 H new ATOM 1433 N GLU A 94 2.064 1.533 0.381 1.00 0.00 N ATOM 1434 CA GLU A 94 3.177 0.958 -0.356 1.00 0.00 C ATOM 1435 C GLU A 94 2.785 0.730 -1.817 1.00 0.00 C ATOM 1436 O GLU A 94 3.486 1.168 -2.728 1.00 0.00 O ATOM 1437 CB GLU A 94 3.651 -0.343 0.294 1.00 0.00 C ATOM 1438 CG GLU A 94 4.598 -0.059 1.462 1.00 0.00 C ATOM 1439 CD GLU A 94 6.038 0.106 0.973 1.00 0.00 C ATOM 1440 OE1 GLU A 94 6.275 1.078 0.224 1.00 0.00 O ATOM 1441 OE2 GLU A 94 6.870 -0.743 1.360 1.00 0.00 O ATOM 0 H GLU A 94 1.560 0.874 0.975 1.00 0.00 H new ATOM 0 HA GLU A 94 4.008 1.663 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.791 -0.911 0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.157 -0.961 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.280 0.846 1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.546 -0.875 2.183 1.00 0.00 H new ATOM 1448 N SER A 95 1.665 0.045 -1.996 1.00 0.00 N ATOM 1449 CA SER A 95 1.171 -0.247 -3.330 1.00 0.00 C ATOM 1450 C SER A 95 1.398 0.957 -4.247 1.00 0.00 C ATOM 1451 O SER A 95 1.872 0.804 -5.372 1.00 0.00 O ATOM 1452 CB SER A 95 -0.313 -0.618 -3.300 1.00 0.00 C ATOM 1453 OG SER A 95 -0.552 -1.799 -2.539 1.00 0.00 O ATOM 0 H SER A 95 1.086 -0.316 -1.238 1.00 0.00 H new ATOM 0 HA SER A 95 1.723 -1.102 -3.719 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.885 0.208 -2.877 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.671 -0.765 -4.319 1.00 0.00 H new ATOM 0 HG SER A 95 -0.092 -1.731 -1.676 1.00 0.00 H new ATOM 1459 N LEU A 96 1.049 2.126 -3.732 1.00 0.00 N ATOM 1460 CA LEU A 96 1.208 3.355 -4.491 1.00 0.00 C ATOM 1461 C LEU A 96 2.698 3.615 -4.725 1.00 0.00 C ATOM 1462 O LEU A 96 3.134 3.761 -5.866 1.00 0.00 O ATOM 1463 CB LEU A 96 0.485 4.511 -3.797 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.039 4.529 -3.936 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.455 4.904 -5.360 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.646 3.195 -3.495 1.00 0.00 C ATOM 0 H LEU A 96 0.657 2.249 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 96 0.742 3.260 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.733 4.484 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.877 5.448 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.433 5.298 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.543 4.910 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.070 5.895 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.049 4.175 -6.062 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.730 3.235 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.248 2.392 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.393 3.007 -2.452 1.00 0.00 H new ATOM 1478 N THR A 97 3.437 3.664 -3.627 1.00 0.00 N ATOM 1479 CA THR A 97 4.869 3.904 -3.699 1.00 0.00 C ATOM 1480 C THR A 97 5.590 2.667 -4.238 1.00 0.00 C ATOM 1481 O THR A 97 6.435 2.090 -3.556 1.00 0.00 O ATOM 1482 CB THR A 97 5.347 4.328 -2.309 1.00 0.00 C ATOM 1483 OG1 THR A 97 4.544 3.562 -1.416 1.00 0.00 O ATOM 1484 CG2 THR A 97 4.986 5.779 -1.983 1.00 0.00 C ATOM 0 H THR A 97 3.072 3.542 -2.683 1.00 0.00 H new ATOM 0 HA THR A 97 5.101 4.708 -4.398 1.00 0.00 H new ATOM 0 HB THR A 97 6.427 4.199 -2.242 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.815 4.119 -1.072 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.348 6.029 -0.986 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.449 6.442 -2.714 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.903 5.901 -2.017 1.00 0.00 H new