USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 HIS : no HD1:sc= -0.0305 X(o=-0.03,f=-0.16) USER MOD Single : A 19 THR OG1 : rot 49:sc= -6.16! USER MOD Single : A 22 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.0016) USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= -2.38 (180deg=-2.78) USER MOD Single : A 32 SER OG : rot 180:sc= -1.31 USER MOD Single : A 41 ASN : amide:sc=-0.00536 X(o=-0.0054,f=-0.32) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= -0.649 K(o=-0.65,f=-3.2!) USER MOD Single : A 52 ASN : amide:sc= -1.88 X(o=-1.9,f=-2.2!) USER MOD Single : A 56 SER OG : rot -156:sc= 0.00875 USER MOD Single : A 57 GLN : amide:sc= -0.854 K(o=-0.85,f=-1.4) USER MOD Single : A 60 THR OG1 : rot 170:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.05 K(o=-0.05,f=-0.8) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.29 K(o=-2.3,f=-14!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.092) USER MOD Single : A 73 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0305) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 100:sc= 0.184 USER MOD Single : A 79 THR OG1 : rot 135:sc= -2.39! USER MOD Single : A 80 HIS : no HE2:sc= -0.997 K(o=-1,f=-5.5!) USER MOD Single : A 81 HIS : no HD1:sc= -0.916 K(o=-0.92,f=-0.32) USER MOD Single : A 89 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.2!) USER MOD Single : A 95 GLN : amide:sc= -3.11! C(o=-3.1!,f=-3.1!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 205 N HIS A 17 4.212 -6.921 2.848 1.00 0.00 N ATOM 206 CA HIS A 17 5.100 -6.196 3.740 1.00 0.00 C ATOM 207 C HIS A 17 4.510 -4.817 4.042 1.00 0.00 C ATOM 208 O HIS A 17 4.168 -4.070 3.126 1.00 0.00 O ATOM 209 CB HIS A 17 6.513 -6.122 3.159 1.00 0.00 C ATOM 210 CG HIS A 17 7.558 -5.650 4.142 1.00 0.00 C ATOM 211 ND1 HIS A 17 7.625 -6.112 5.444 1.00 0.00 N ATOM 212 CD2 HIS A 17 8.576 -4.753 3.999 1.00 0.00 C ATOM 213 CE1 HIS A 17 8.640 -5.514 6.049 1.00 0.00 C ATOM 214 NE2 HIS A 17 9.228 -4.672 5.151 1.00 0.00 N ATOM 0 HA HIS A 17 5.187 -6.731 4.686 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.795 -7.108 2.790 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.507 -5.450 2.301 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.811 -4.202 3.100 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.948 -5.666 7.073 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.036 -4.078 5.335 1.00 0.00 H new ATOM 222 N VAL A 18 4.408 -4.520 5.329 1.00 0.00 N ATOM 223 CA VAL A 18 3.865 -3.244 5.762 1.00 0.00 C ATOM 224 C VAL A 18 4.993 -2.212 5.831 1.00 0.00 C ATOM 225 O VAL A 18 6.082 -2.509 6.318 1.00 0.00 O ATOM 226 CB VAL A 18 3.128 -3.413 7.092 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.829 -2.055 7.730 1.00 0.00 C ATOM 228 CG2 VAL A 18 1.846 -4.227 6.909 1.00 0.00 C ATOM 0 H VAL A 18 4.692 -5.141 6.086 1.00 0.00 H new ATOM 0 HA VAL A 18 3.132 -2.877 5.044 1.00 0.00 H new ATOM 0 HB VAL A 18 3.781 -3.964 7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.305 -2.204 8.674 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.764 -1.526 7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.205 -1.467 7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.342 -4.332 7.870 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.187 -3.715 6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.094 -5.214 6.520 1.00 0.00 H new ATOM 238 N THR A 19 4.692 -1.020 5.335 1.00 0.00 N ATOM 239 CA THR A 19 5.666 0.057 5.334 1.00 0.00 C ATOM 240 C THR A 19 5.140 1.253 6.130 1.00 0.00 C ATOM 241 O THR A 19 4.190 1.913 5.710 1.00 0.00 O ATOM 242 CB THR A 19 5.997 0.394 3.878 1.00 0.00 C ATOM 243 OG1 THR A 19 6.886 -0.644 3.475 1.00 0.00 O ATOM 244 CG2 THR A 19 6.831 1.670 3.747 1.00 0.00 C ATOM 0 H THR A 19 3.787 -0.777 4.931 1.00 0.00 H new ATOM 0 HA THR A 19 6.588 -0.244 5.831 1.00 0.00 H new ATOM 0 HB THR A 19 5.072 0.505 3.312 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.508 -1.513 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.038 1.863 2.694 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.279 2.510 4.169 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.771 1.547 4.285 1.00 0.00 H new ATOM 252 N ILE A 20 5.780 1.497 7.264 1.00 0.00 N ATOM 253 CA ILE A 20 5.389 2.602 8.122 1.00 0.00 C ATOM 254 C ILE A 20 6.267 3.817 7.815 1.00 0.00 C ATOM 255 O ILE A 20 7.476 3.785 8.037 1.00 0.00 O ATOM 256 CB ILE A 20 5.419 2.176 9.591 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.353 1.117 9.877 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.287 3.388 10.516 1.00 0.00 C ATOM 259 CD1 ILE A 20 2.947 1.714 9.780 1.00 0.00 C ATOM 0 H ILE A 20 6.567 0.948 7.609 1.00 0.00 H new ATOM 0 HA ILE A 20 4.359 2.895 7.920 1.00 0.00 H new ATOM 0 HB ILE A 20 6.388 1.720 9.795 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.453 0.295 9.168 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.507 0.700 10.872 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.311 3.058 11.554 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.113 4.076 10.335 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.343 3.895 10.319 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.208 0.940 9.988 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.843 2.520 10.507 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.787 2.108 8.776 1.00 0.00 H new ATOM 271 N LEU A 21 5.624 4.859 7.309 1.00 0.00 N ATOM 272 CA LEU A 21 6.332 6.082 6.969 1.00 0.00 C ATOM 273 C LEU A 21 6.092 7.125 8.063 1.00 0.00 C ATOM 274 O LEU A 21 4.948 7.416 8.408 1.00 0.00 O ATOM 275 CB LEU A 21 5.939 6.557 5.569 1.00 0.00 C ATOM 276 CG LEU A 21 6.335 5.637 4.413 1.00 0.00 C ATOM 277 CD1 LEU A 21 7.578 4.817 4.765 1.00 0.00 C ATOM 278 CD2 LEU A 21 5.163 4.748 3.994 1.00 0.00 C ATOM 0 H LEU A 21 4.621 4.882 7.126 1.00 0.00 H new ATOM 0 HA LEU A 21 7.406 5.902 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.858 6.695 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.389 7.535 5.399 1.00 0.00 H new ATOM 0 HG LEU A 21 6.591 6.258 3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.838 4.172 3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.409 5.489 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.373 4.205 5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.471 4.104 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.852 4.133 4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.329 5.372 3.674 1.00 0.00 H new ATOM 290 N HIS A 22 7.190 7.660 8.577 1.00 0.00 N ATOM 291 CA HIS A 22 7.114 8.664 9.624 1.00 0.00 C ATOM 292 C HIS A 22 7.269 10.057 9.011 1.00 0.00 C ATOM 293 O HIS A 22 8.364 10.440 8.601 1.00 0.00 O ATOM 294 CB HIS A 22 8.140 8.382 10.723 1.00 0.00 C ATOM 295 CG HIS A 22 8.234 6.928 11.118 1.00 0.00 C ATOM 296 ND1 HIS A 22 7.462 6.372 12.123 1.00 0.00 N ATOM 297 CD2 HIS A 22 9.014 5.921 10.631 1.00 0.00 C ATOM 298 CE1 HIS A 22 7.773 5.089 12.229 1.00 0.00 C ATOM 299 NE2 HIS A 22 8.736 4.811 11.304 1.00 0.00 N ATOM 0 H HIS A 22 8.137 7.417 8.287 1.00 0.00 H new ATOM 0 HA HIS A 22 6.135 8.622 10.102 1.00 0.00 H new ATOM 0 HB2 HIS A 22 9.120 8.720 10.386 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.885 8.971 11.604 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.736 6.011 9.833 1.00 0.00 H new ATOM 0 HE1 HIS A 22 7.340 4.386 12.926 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.171 3.901 11.154 1.00 0.00 H new ATOM 307 N LYS A 23 6.158 10.777 8.967 1.00 0.00 N ATOM 308 CA LYS A 23 6.157 12.119 8.410 1.00 0.00 C ATOM 309 C LYS A 23 5.398 13.056 9.352 1.00 0.00 C ATOM 310 O LYS A 23 4.852 12.617 10.363 1.00 0.00 O ATOM 311 CB LYS A 23 5.609 12.107 6.982 1.00 0.00 C ATOM 312 CG LYS A 23 4.080 12.148 6.981 1.00 0.00 C ATOM 313 CD LYS A 23 3.502 11.028 6.114 1.00 0.00 C ATOM 314 CE LYS A 23 1.990 10.904 6.315 1.00 0.00 C ATOM 315 NZ LYS A 23 1.366 12.244 6.392 1.00 0.00 N ATOM 0 H LYS A 23 5.252 10.456 9.308 1.00 0.00 H new ATOM 0 HA LYS A 23 7.175 12.500 8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.000 12.963 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.953 11.211 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.709 12.051 8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.739 13.114 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.718 11.228 5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.985 10.083 6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.553 10.339 5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.783 10.347 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.331 12.147 6.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.642 12.705 7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.686 12.823 5.589 1.00 0.00 H new ATOM 329 N GLU A 24 5.388 14.330 8.987 1.00 0.00 N ATOM 330 CA GLU A 24 4.705 15.333 9.786 1.00 0.00 C ATOM 331 C GLU A 24 3.317 15.616 9.209 1.00 0.00 C ATOM 332 O GLU A 24 2.990 15.160 8.115 1.00 0.00 O ATOM 333 CB GLU A 24 5.533 16.616 9.879 1.00 0.00 C ATOM 334 CG GLU A 24 6.743 16.423 10.796 1.00 0.00 C ATOM 335 CD GLU A 24 7.179 17.752 11.415 1.00 0.00 C ATOM 336 OE1 GLU A 24 6.274 18.517 11.814 1.00 0.00 O ATOM 337 OE2 GLU A 24 8.408 17.974 11.476 1.00 0.00 O ATOM 0 H GLU A 24 5.842 14.690 8.148 1.00 0.00 H new ATOM 0 HA GLU A 24 4.584 14.944 10.797 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.869 16.909 8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.911 17.428 10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.496 15.714 11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.569 15.994 10.229 1.00 0.00 H new ATOM 344 N GLU A 25 2.536 16.368 9.972 1.00 0.00 N ATOM 345 CA GLU A 25 1.191 16.717 9.550 1.00 0.00 C ATOM 346 C GLU A 25 1.229 17.456 8.211 1.00 0.00 C ATOM 347 O GLU A 25 1.756 18.564 8.124 1.00 0.00 O ATOM 348 CB GLU A 25 0.481 17.553 10.617 1.00 0.00 C ATOM 349 CG GLU A 25 -0.453 16.685 11.462 1.00 0.00 C ATOM 350 CD GLU A 25 -1.395 17.550 12.302 1.00 0.00 C ATOM 351 OE1 GLU A 25 -2.207 18.271 11.683 1.00 0.00 O ATOM 352 OE2 GLU A 25 -1.281 17.472 13.545 1.00 0.00 O ATOM 0 H GLU A 25 2.810 16.745 10.879 1.00 0.00 H new ATOM 0 HA GLU A 25 0.623 15.796 9.419 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.220 18.031 11.260 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.090 18.350 10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.036 16.032 10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.135 16.041 12.116 1.00 0.00 H new ATOM 359 N GLY A 26 0.664 16.813 7.200 1.00 0.00 N ATOM 360 CA GLY A 26 0.627 17.395 5.869 1.00 0.00 C ATOM 361 C GLY A 26 2.028 17.453 5.257 1.00 0.00 C ATOM 362 O GLY A 26 2.318 18.329 4.443 1.00 0.00 O ATOM 0 H GLY A 26 0.228 15.894 7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.029 16.806 5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.206 18.399 5.919 1.00 0.00 H new ATOM 366 N ALA A 27 2.860 16.509 5.672 1.00 0.00 N ATOM 367 CA ALA A 27 4.224 16.442 5.174 1.00 0.00 C ATOM 368 C ALA A 27 4.242 15.673 3.852 1.00 0.00 C ATOM 369 O ALA A 27 5.046 15.968 2.969 1.00 0.00 O ATOM 370 CB ALA A 27 5.123 15.801 6.234 1.00 0.00 C ATOM 0 H ALA A 27 2.616 15.784 6.347 1.00 0.00 H new ATOM 0 HA ALA A 27 4.611 17.442 4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.146 15.750 5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.098 16.401 7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.767 14.794 6.453 1.00 0.00 H new ATOM 376 N GLY A 28 3.347 14.701 3.756 1.00 0.00 N ATOM 377 CA GLY A 28 3.250 13.887 2.556 1.00 0.00 C ATOM 378 C GLY A 28 4.018 12.574 2.721 1.00 0.00 C ATOM 379 O GLY A 28 4.843 12.442 3.624 1.00 0.00 O ATOM 0 H GLY A 28 2.682 14.459 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.203 13.675 2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.646 14.440 1.704 1.00 0.00 H new ATOM 383 N LEU A 29 3.720 11.637 1.834 1.00 0.00 N ATOM 384 CA LEU A 29 4.372 10.339 1.869 1.00 0.00 C ATOM 385 C LEU A 29 5.671 10.403 1.062 1.00 0.00 C ATOM 386 O LEU A 29 6.715 9.943 1.522 1.00 0.00 O ATOM 387 CB LEU A 29 3.412 9.243 1.402 1.00 0.00 C ATOM 388 CG LEU A 29 1.923 9.515 1.629 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.069 8.358 1.108 1.00 0.00 C ATOM 390 CD2 LEU A 29 1.640 9.821 3.101 1.00 0.00 C ATOM 0 H LEU A 29 3.036 11.750 1.086 1.00 0.00 H new ATOM 0 HA LEU A 29 4.644 10.078 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.572 9.076 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.674 8.316 1.913 1.00 0.00 H new ATOM 0 HG LEU A 29 1.646 10.401 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.015 8.577 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.242 8.231 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.340 7.441 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.575 10.011 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.937 8.969 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.206 10.701 3.405 1.00 0.00 H new ATOM 402 N GLY A 30 5.563 10.977 -0.127 1.00 0.00 N ATOM 403 CA GLY A 30 6.716 11.107 -1.002 1.00 0.00 C ATOM 404 C GLY A 30 6.437 10.486 -2.372 1.00 0.00 C ATOM 405 O GLY A 30 7.263 10.580 -3.280 1.00 0.00 O ATOM 0 H GLY A 30 4.695 11.357 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.970 12.160 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.579 10.621 -0.547 1.00 0.00 H new ATOM 409 N PHE A 31 5.271 9.866 -2.479 1.00 0.00 N ATOM 410 CA PHE A 31 4.873 9.230 -3.723 1.00 0.00 C ATOM 411 C PHE A 31 3.405 9.520 -4.042 1.00 0.00 C ATOM 412 O PHE A 31 2.672 10.032 -3.198 1.00 0.00 O ATOM 413 CB PHE A 31 5.054 7.722 -3.533 1.00 0.00 C ATOM 414 CG PHE A 31 3.966 7.069 -2.677 1.00 0.00 C ATOM 415 CD1 PHE A 31 3.931 7.290 -1.336 1.00 0.00 C ATOM 416 CD2 PHE A 31 3.034 6.267 -3.259 1.00 0.00 C ATOM 417 CE1 PHE A 31 2.922 6.684 -0.542 1.00 0.00 C ATOM 418 CE2 PHE A 31 2.025 5.661 -2.465 1.00 0.00 C ATOM 419 CZ PHE A 31 1.990 5.882 -1.124 1.00 0.00 C ATOM 0 H PHE A 31 4.589 9.791 -1.724 1.00 0.00 H new ATOM 0 HA PHE A 31 5.478 9.611 -4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.070 7.242 -4.511 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.024 7.538 -3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.671 7.927 -0.874 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.062 6.091 -4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.894 6.860 0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.285 5.024 -2.927 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.222 5.421 -0.521 1.00 0.00 H new ATOM 429 N SER A 32 3.020 9.178 -5.263 1.00 0.00 N ATOM 430 CA SER A 32 1.652 9.396 -5.704 1.00 0.00 C ATOM 431 C SER A 32 1.011 8.063 -6.096 1.00 0.00 C ATOM 432 O SER A 32 1.663 7.021 -6.056 1.00 0.00 O ATOM 433 CB SER A 32 1.601 10.375 -6.878 1.00 0.00 C ATOM 434 OG SER A 32 2.144 9.810 -8.069 1.00 0.00 O ATOM 0 H SER A 32 3.631 8.752 -5.960 1.00 0.00 H new ATOM 0 HA SER A 32 1.091 9.833 -4.878 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.568 10.673 -7.057 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.154 11.279 -6.621 1.00 0.00 H new ATOM 0 HG SER A 32 2.092 10.466 -8.796 1.00 0.00 H new ATOM 440 N LEU A 33 -0.258 8.140 -6.467 1.00 0.00 N ATOM 441 CA LEU A 33 -0.995 6.953 -6.866 1.00 0.00 C ATOM 442 C LEU A 33 -1.122 6.925 -8.390 1.00 0.00 C ATOM 443 O LEU A 33 -0.971 7.953 -9.048 1.00 0.00 O ATOM 444 CB LEU A 33 -2.338 6.885 -6.136 1.00 0.00 C ATOM 445 CG LEU A 33 -2.272 6.900 -4.607 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.477 6.182 -3.999 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.947 6.319 -4.110 1.00 0.00 C ATOM 0 H LEU A 33 -0.795 9.006 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.454 6.053 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.949 7.727 -6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.853 5.977 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.314 7.937 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.405 6.207 -2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.394 6.680 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.492 5.146 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.926 6.341 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.850 5.289 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.120 6.912 -4.501 1.00 0.00 H new ATOM 459 N ALA A 34 -1.398 5.737 -8.908 1.00 0.00 N ATOM 460 CA ALA A 34 -1.547 5.562 -10.342 1.00 0.00 C ATOM 461 C ALA A 34 -2.695 4.588 -10.617 1.00 0.00 C ATOM 462 O ALA A 34 -2.982 3.716 -9.798 1.00 0.00 O ATOM 463 CB ALA A 34 -0.222 5.083 -10.939 1.00 0.00 C ATOM 0 H ALA A 34 -1.522 4.886 -8.359 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.797 6.510 -10.819 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.334 4.952 -12.015 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.554 5.823 -10.743 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.059 4.133 -10.485 1.00 0.00 H new ATOM 469 N GLY A 35 -3.320 4.770 -11.770 1.00 0.00 N ATOM 470 CA GLY A 35 -4.430 3.919 -12.163 1.00 0.00 C ATOM 471 C GLY A 35 -5.668 4.204 -11.310 1.00 0.00 C ATOM 472 O GLY A 35 -5.613 5.005 -10.378 1.00 0.00 O ATOM 0 H GLY A 35 -3.079 5.495 -12.446 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.663 4.082 -13.215 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.145 2.872 -12.059 1.00 0.00 H new ATOM 476 N GLY A 36 -6.756 3.534 -11.660 1.00 0.00 N ATOM 477 CA GLY A 36 -8.005 3.705 -10.939 1.00 0.00 C ATOM 478 C GLY A 36 -9.013 2.619 -11.321 1.00 0.00 C ATOM 479 O GLY A 36 -8.657 1.639 -11.972 1.00 0.00 O ATOM 0 H GLY A 36 -6.798 2.871 -12.434 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.817 3.670 -9.866 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.423 4.687 -11.158 1.00 0.00 H new ATOM 483 N ALA A 37 -10.251 2.831 -10.900 1.00 0.00 N ATOM 484 CA ALA A 37 -11.313 1.883 -11.190 1.00 0.00 C ATOM 485 C ALA A 37 -11.836 2.127 -12.608 1.00 0.00 C ATOM 486 O ALA A 37 -12.067 1.181 -13.359 1.00 0.00 O ATOM 487 CB ALA A 37 -12.413 2.008 -10.134 1.00 0.00 C ATOM 0 H ALA A 37 -10.542 3.646 -10.360 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.936 0.861 -11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.209 1.297 -10.352 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.997 1.796 -9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.817 3.020 -10.148 1.00 0.00 H new ATOM 493 N ASP A 38 -12.006 3.400 -12.930 1.00 0.00 N ATOM 494 CA ASP A 38 -12.497 3.781 -14.244 1.00 0.00 C ATOM 495 C ASP A 38 -11.388 3.575 -15.277 1.00 0.00 C ATOM 496 O ASP A 38 -11.663 3.408 -16.464 1.00 0.00 O ATOM 497 CB ASP A 38 -12.904 5.255 -14.274 1.00 0.00 C ATOM 498 CG ASP A 38 -13.429 5.753 -15.622 1.00 0.00 C ATOM 499 OD1 ASP A 38 -13.978 4.910 -16.364 1.00 0.00 O ATOM 500 OD2 ASP A 38 -13.271 6.966 -15.879 1.00 0.00 O ATOM 0 H ASP A 38 -11.813 4.182 -12.304 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.365 3.163 -14.472 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.672 5.420 -13.518 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.043 5.860 -13.990 1.00 0.00 H new ATOM 505 N LEU A 39 -10.156 3.595 -14.788 1.00 0.00 N ATOM 506 CA LEU A 39 -9.004 3.413 -15.654 1.00 0.00 C ATOM 507 C LEU A 39 -8.840 1.925 -15.972 1.00 0.00 C ATOM 508 O LEU A 39 -9.672 1.108 -15.581 1.00 0.00 O ATOM 509 CB LEU A 39 -7.760 4.050 -15.032 1.00 0.00 C ATOM 510 CG LEU A 39 -7.769 5.576 -14.926 1.00 0.00 C ATOM 511 CD1 LEU A 39 -9.005 6.066 -14.170 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.472 6.089 -14.298 1.00 0.00 C ATOM 0 H LEU A 39 -9.931 3.735 -13.803 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.156 3.927 -16.603 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.626 3.637 -14.032 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.891 3.752 -15.619 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.824 5.988 -15.934 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.987 7.154 -14.109 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.904 5.747 -14.697 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.006 5.646 -13.164 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.504 7.177 -14.234 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.361 5.670 -13.298 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.625 5.787 -14.914 1.00 0.00 H new ATOM 524 N GLU A 40 -7.762 1.619 -16.679 1.00 0.00 N ATOM 525 CA GLU A 40 -7.479 0.244 -17.054 1.00 0.00 C ATOM 526 C GLU A 40 -6.902 -0.523 -15.862 1.00 0.00 C ATOM 527 O GLU A 40 -7.148 -1.719 -15.711 1.00 0.00 O ATOM 528 CB GLU A 40 -6.530 0.187 -18.253 1.00 0.00 C ATOM 529 CG GLU A 40 -7.260 0.553 -19.547 1.00 0.00 C ATOM 530 CD GLU A 40 -7.304 -0.638 -20.507 1.00 0.00 C ATOM 531 OE1 GLU A 40 -6.225 -0.980 -21.036 1.00 0.00 O ATOM 532 OE2 GLU A 40 -8.416 -1.178 -20.690 1.00 0.00 O ATOM 0 H GLU A 40 -7.074 2.300 -17.002 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.414 -0.231 -17.349 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.697 0.872 -18.095 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.108 -0.814 -18.340 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.275 0.877 -19.317 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.758 1.393 -20.027 1.00 0.00 H new ATOM 539 N ASN A 41 -6.147 0.197 -15.045 1.00 0.00 N ATOM 540 CA ASN A 41 -5.533 -0.401 -13.872 1.00 0.00 C ATOM 541 C ASN A 41 -6.505 -0.314 -12.693 1.00 0.00 C ATOM 542 O ASN A 41 -6.478 0.651 -11.931 1.00 0.00 O ATOM 543 CB ASN A 41 -4.252 0.339 -13.483 1.00 0.00 C ATOM 544 CG ASN A 41 -3.144 0.093 -14.509 1.00 0.00 C ATOM 545 OD1 ASN A 41 -2.905 -1.020 -14.949 1.00 0.00 O ATOM 546 ND2 ASN A 41 -2.483 1.191 -14.864 1.00 0.00 N ATOM 0 H ASN A 41 -5.947 1.189 -15.172 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.293 -1.438 -14.108 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.453 1.408 -13.409 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.921 0.008 -12.499 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.725 1.132 -15.543 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.735 2.092 -14.457 1.00 0.00 H new ATOM 553 N LYS A 42 -7.342 -1.336 -12.581 1.00 0.00 N ATOM 554 CA LYS A 42 -8.320 -1.387 -11.508 1.00 0.00 C ATOM 555 C LYS A 42 -7.613 -1.176 -10.168 1.00 0.00 C ATOM 556 O LYS A 42 -8.093 -0.425 -9.320 1.00 0.00 O ATOM 557 CB LYS A 42 -9.127 -2.685 -11.581 1.00 0.00 C ATOM 558 CG LYS A 42 -10.024 -2.705 -12.820 1.00 0.00 C ATOM 559 CD LYS A 42 -11.248 -1.808 -12.625 1.00 0.00 C ATOM 560 CE LYS A 42 -12.297 -2.494 -11.747 1.00 0.00 C ATOM 561 NZ LYS A 42 -13.176 -3.356 -12.568 1.00 0.00 N ATOM 0 H LYS A 42 -7.363 -2.134 -13.216 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.046 -0.581 -11.615 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.449 -3.538 -11.605 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.738 -2.788 -10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.458 -2.370 -13.689 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.346 -3.726 -13.024 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.944 -0.867 -12.167 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.683 -1.565 -13.594 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.804 -3.092 -10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.894 -1.743 -11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.882 -3.814 -11.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.661 -2.777 -13.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.604 -4.084 -13.042 1.00 0.00 H new ATOM 575 N VAL A 43 -6.484 -1.853 -10.018 1.00 0.00 N ATOM 576 CA VAL A 43 -5.706 -1.750 -8.795 1.00 0.00 C ATOM 577 C VAL A 43 -4.724 -0.583 -8.918 1.00 0.00 C ATOM 578 O VAL A 43 -3.884 -0.566 -9.817 1.00 0.00 O ATOM 579 CB VAL A 43 -5.017 -3.083 -8.499 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.195 -3.554 -9.700 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.148 -2.984 -7.244 1.00 0.00 C ATOM 0 H VAL A 43 -6.089 -2.475 -10.723 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.356 -1.540 -7.945 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.792 -3.826 -8.312 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.716 -4.504 -9.463 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.850 -3.683 -10.561 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.432 -2.811 -9.933 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.670 -3.945 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.384 -2.221 -7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.771 -2.716 -6.391 1.00 0.00 H new ATOM 591 N ILE A 44 -4.861 0.363 -8.002 1.00 0.00 N ATOM 592 CA ILE A 44 -3.996 1.531 -7.996 1.00 0.00 C ATOM 593 C ILE A 44 -2.543 1.083 -7.819 1.00 0.00 C ATOM 594 O ILE A 44 -2.280 0.038 -7.225 1.00 0.00 O ATOM 595 CB ILE A 44 -4.461 2.538 -6.942 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.643 3.363 -7.457 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.302 3.423 -6.480 1.00 0.00 C ATOM 598 CD1 ILE A 44 -6.866 2.476 -7.699 1.00 0.00 C ATOM 0 H ILE A 44 -5.558 0.345 -7.258 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.056 2.054 -8.951 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.810 1.984 -6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.891 4.141 -6.735 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.364 3.865 -8.383 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.660 4.130 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.519 2.800 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.900 3.970 -7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.692 3.087 -8.064 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.622 1.714 -8.440 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.157 1.994 -6.765 1.00 0.00 H new ATOM 610 N THR A 45 -1.639 1.895 -8.346 1.00 0.00 N ATOM 611 CA THR A 45 -0.220 1.596 -8.254 1.00 0.00 C ATOM 612 C THR A 45 0.574 2.865 -7.940 1.00 0.00 C ATOM 613 O THR A 45 0.008 3.956 -7.875 1.00 0.00 O ATOM 614 CB THR A 45 0.206 0.920 -9.559 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.547 1.595 -10.562 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.270 -0.531 -9.649 1.00 0.00 C ATOM 0 H THR A 45 -1.861 2.760 -8.838 1.00 0.00 H new ATOM 0 HA THR A 45 -0.013 0.910 -7.433 1.00 0.00 H new ATOM 0 HB THR A 45 1.292 0.952 -9.646 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.331 1.220 -11.441 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.059 -0.964 -10.594 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.150 -1.104 -8.822 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.358 -0.561 -9.595 1.00 0.00 H new ATOM 624 N VAL A 46 1.872 2.682 -7.752 1.00 0.00 N ATOM 625 CA VAL A 46 2.750 3.799 -7.446 1.00 0.00 C ATOM 626 C VAL A 46 3.138 4.508 -8.746 1.00 0.00 C ATOM 627 O VAL A 46 4.066 4.086 -9.434 1.00 0.00 O ATOM 628 CB VAL A 46 3.960 3.311 -6.647 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.854 4.482 -6.236 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.519 2.501 -5.426 1.00 0.00 C ATOM 0 H VAL A 46 2.338 1.776 -7.806 1.00 0.00 H new ATOM 0 HA VAL A 46 2.236 4.528 -6.819 1.00 0.00 H new ATOM 0 HB VAL A 46 4.545 2.654 -7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.707 4.108 -5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.209 4.999 -7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.284 5.175 -5.618 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.398 2.166 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.901 3.124 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.943 1.635 -5.752 1.00 0.00 H new ATOM 640 N HIS A 47 2.408 5.572 -9.042 1.00 0.00 N ATOM 641 CA HIS A 47 2.664 6.344 -10.247 1.00 0.00 C ATOM 642 C HIS A 47 4.131 6.778 -10.276 1.00 0.00 C ATOM 643 O HIS A 47 4.871 6.415 -11.189 1.00 0.00 O ATOM 644 CB HIS A 47 1.695 7.523 -10.353 1.00 0.00 C ATOM 645 CG HIS A 47 1.786 8.276 -11.659 1.00 0.00 C ATOM 646 ND1 HIS A 47 0.893 9.273 -12.013 1.00 0.00 N ATOM 647 CD2 HIS A 47 2.672 8.170 -12.690 1.00 0.00 C ATOM 648 CE1 HIS A 47 1.236 9.737 -13.205 1.00 0.00 C ATOM 649 NE2 HIS A 47 2.338 9.052 -13.624 1.00 0.00 N ATOM 0 H HIS A 47 1.639 5.919 -8.469 1.00 0.00 H new ATOM 0 HA HIS A 47 2.487 5.723 -11.125 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.677 7.156 -10.227 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.888 8.214 -9.533 1.00 0.00 H new ATOM 0 HD1 HIS A 47 0.105 9.595 -11.451 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.505 7.484 -12.738 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.731 10.521 -13.750 1.00 0.00 H new ATOM 657 N ARG A 48 4.507 7.548 -9.266 1.00 0.00 N ATOM 658 CA ARG A 48 5.872 8.035 -9.164 1.00 0.00 C ATOM 659 C ARG A 48 6.296 8.125 -7.697 1.00 0.00 C ATOM 660 O ARG A 48 5.451 8.221 -6.808 1.00 0.00 O ATOM 661 CB ARG A 48 6.015 9.412 -9.815 1.00 0.00 C ATOM 662 CG ARG A 48 6.785 9.318 -11.134 1.00 0.00 C ATOM 663 CD ARG A 48 5.831 9.370 -12.329 1.00 0.00 C ATOM 664 NE ARG A 48 6.492 10.033 -13.476 1.00 0.00 N ATOM 665 CZ ARG A 48 6.048 9.970 -14.738 1.00 0.00 C ATOM 666 NH1 ARG A 48 4.939 9.274 -15.024 1.00 0.00 N ATOM 667 NH2 ARG A 48 6.712 10.604 -15.714 1.00 0.00 N ATOM 0 H ARG A 48 3.890 7.847 -8.511 1.00 0.00 H new ATOM 0 HA ARG A 48 6.516 7.329 -9.688 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.028 9.837 -9.996 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.533 10.088 -9.135 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.502 10.136 -11.200 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.357 8.390 -11.160 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.528 8.361 -12.607 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.925 9.912 -12.058 1.00 0.00 H new ATOM 0 HE ARG A 48 7.339 10.572 -13.294 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.433 8.792 -14.281 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.601 9.226 -15.985 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.555 11.134 -15.496 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.374 10.556 -16.675 1.00 0.00 H new ATOM 681 N VAL A 49 7.604 8.090 -7.488 1.00 0.00 N ATOM 682 CA VAL A 49 8.150 8.167 -6.144 1.00 0.00 C ATOM 683 C VAL A 49 9.125 9.343 -6.060 1.00 0.00 C ATOM 684 O VAL A 49 10.294 9.211 -6.419 1.00 0.00 O ATOM 685 CB VAL A 49 8.790 6.831 -5.763 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.217 6.827 -4.293 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.847 5.665 -6.063 1.00 0.00 C ATOM 0 H VAL A 49 8.302 8.009 -8.228 1.00 0.00 H new ATOM 0 HA VAL A 49 7.357 8.351 -5.419 1.00 0.00 H new ATOM 0 HB VAL A 49 9.685 6.703 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.669 5.866 -4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.942 7.623 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.344 6.989 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.327 4.727 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.926 5.786 -5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.615 5.649 -7.128 1.00 0.00 H new ATOM 697 N PHE A 50 8.608 10.466 -5.585 1.00 0.00 N ATOM 698 CA PHE A 50 9.418 11.665 -5.449 1.00 0.00 C ATOM 699 C PHE A 50 10.830 11.321 -4.971 1.00 0.00 C ATOM 700 O PHE A 50 11.031 10.318 -4.287 1.00 0.00 O ATOM 701 CB PHE A 50 8.739 12.548 -4.401 1.00 0.00 C ATOM 702 CG PHE A 50 7.250 12.790 -4.661 1.00 0.00 C ATOM 703 CD1 PHE A 50 6.728 12.550 -5.894 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.450 13.243 -3.659 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.346 12.774 -6.135 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.069 13.467 -3.900 1.00 0.00 C ATOM 707 CZ PHE A 50 4.546 13.228 -5.133 1.00 0.00 C ATOM 0 H PHE A 50 7.638 10.571 -5.289 1.00 0.00 H new ATOM 0 HA PHE A 50 9.501 12.168 -6.412 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.856 12.086 -3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.252 13.509 -4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.364 12.189 -6.689 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.865 13.432 -2.680 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.931 12.584 -7.114 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.434 13.827 -3.104 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.495 13.399 -5.316 1.00 0.00 H new ATOM 717 N PRO A 51 11.798 12.194 -5.361 1.00 0.00 N ATOM 718 CA PRO A 51 13.185 11.992 -4.979 1.00 0.00 C ATOM 719 C PRO A 51 13.407 12.349 -3.508 1.00 0.00 C ATOM 720 O PRO A 51 14.300 11.805 -2.861 1.00 0.00 O ATOM 721 CB PRO A 51 13.985 12.867 -5.930 1.00 0.00 C ATOM 722 CG PRO A 51 13.000 13.876 -6.497 1.00 0.00 C ATOM 723 CD PRO A 51 11.597 13.391 -6.171 1.00 0.00 C ATOM 0 HA PRO A 51 13.496 10.950 -5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 51 14.800 13.368 -5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.434 12.271 -6.724 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.173 14.862 -6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.130 13.972 -7.575 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.033 14.148 -5.626 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.035 13.166 -7.078 1.00 0.00 H new ATOM 731 N ASN A 52 12.577 13.261 -3.022 1.00 0.00 N ATOM 732 CA ASN A 52 12.671 13.698 -1.639 1.00 0.00 C ATOM 733 C ASN A 52 11.389 13.311 -0.899 1.00 0.00 C ATOM 734 O ASN A 52 10.460 14.112 -0.800 1.00 0.00 O ATOM 735 CB ASN A 52 12.829 15.217 -1.550 1.00 0.00 C ATOM 736 CG ASN A 52 11.711 15.930 -2.312 1.00 0.00 C ATOM 737 OD1 ASN A 52 10.688 16.302 -1.761 1.00 0.00 O ATOM 738 ND2 ASN A 52 11.961 16.099 -3.608 1.00 0.00 N ATOM 0 H ASN A 52 11.836 13.709 -3.561 1.00 0.00 H new ATOM 0 HA ASN A 52 13.542 13.219 -1.192 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.817 15.527 -0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.796 15.510 -1.958 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.276 16.564 -4.203 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.838 15.763 -4.006 1.00 0.00 H new ATOM 745 N GLY A 53 11.380 12.085 -0.398 1.00 0.00 N ATOM 746 CA GLY A 53 10.227 11.583 0.331 1.00 0.00 C ATOM 747 C GLY A 53 10.600 10.361 1.172 1.00 0.00 C ATOM 748 O GLY A 53 11.780 10.086 1.385 1.00 0.00 O ATOM 0 H GLY A 53 12.152 11.424 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.831 12.367 0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.436 11.318 -0.370 1.00 0.00 H new ATOM 752 N LEU A 54 9.572 9.661 1.629 1.00 0.00 N ATOM 753 CA LEU A 54 9.777 8.475 2.443 1.00 0.00 C ATOM 754 C LEU A 54 9.727 7.234 1.550 1.00 0.00 C ATOM 755 O LEU A 54 10.575 6.350 1.661 1.00 0.00 O ATOM 756 CB LEU A 54 8.777 8.440 3.601 1.00 0.00 C ATOM 757 CG LEU A 54 8.711 9.699 4.468 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.264 10.037 4.833 1.00 0.00 C ATOM 759 CD2 LEU A 54 9.597 9.559 5.707 1.00 0.00 C ATOM 0 H LEU A 54 8.595 9.892 1.451 1.00 0.00 H new ATOM 0 HA LEU A 54 10.764 8.496 2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.784 8.252 3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.023 7.594 4.242 1.00 0.00 H new ATOM 0 HG LEU A 54 9.101 10.535 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.245 10.936 5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.690 10.209 3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.825 9.207 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.532 10.468 6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.261 8.709 6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.631 9.401 5.399 1.00 0.00 H new ATOM 771 N ALA A 55 8.724 7.207 0.683 1.00 0.00 N ATOM 772 CA ALA A 55 8.552 6.089 -0.229 1.00 0.00 C ATOM 773 C ALA A 55 9.827 5.912 -1.057 1.00 0.00 C ATOM 774 O ALA A 55 10.056 4.848 -1.630 1.00 0.00 O ATOM 775 CB ALA A 55 7.318 6.327 -1.101 1.00 0.00 C ATOM 0 H ALA A 55 8.022 7.942 0.593 1.00 0.00 H new ATOM 0 HA ALA A 55 8.387 5.164 0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.189 5.488 -1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.436 6.417 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.449 7.245 -1.673 1.00 0.00 H new ATOM 781 N SER A 56 10.623 6.970 -1.094 1.00 0.00 N ATOM 782 CA SER A 56 11.868 6.945 -1.842 1.00 0.00 C ATOM 783 C SER A 56 13.030 6.590 -0.912 1.00 0.00 C ATOM 784 O SER A 56 14.090 6.168 -1.371 1.00 0.00 O ATOM 785 CB SER A 56 12.127 8.288 -2.527 1.00 0.00 C ATOM 786 OG SER A 56 13.517 8.588 -2.606 1.00 0.00 O ATOM 0 H SER A 56 10.430 7.851 -0.618 1.00 0.00 H new ATOM 0 HA SER A 56 11.786 6.183 -2.617 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.702 8.271 -3.531 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.616 9.079 -1.978 1.00 0.00 H new ATOM 0 HG SER A 56 13.639 9.558 -2.679 1.00 0.00 H new ATOM 792 N GLN A 57 12.791 6.775 0.378 1.00 0.00 N ATOM 793 CA GLN A 57 13.805 6.480 1.376 1.00 0.00 C ATOM 794 C GLN A 57 13.627 5.057 1.910 1.00 0.00 C ATOM 795 O GLN A 57 14.606 4.374 2.206 1.00 0.00 O ATOM 796 CB GLN A 57 13.767 7.501 2.515 1.00 0.00 C ATOM 797 CG GLN A 57 13.219 6.872 3.797 1.00 0.00 C ATOM 798 CD GLN A 57 13.481 7.774 5.005 1.00 0.00 C ATOM 799 OE1 GLN A 57 12.588 8.117 5.762 1.00 0.00 O ATOM 800 NE2 GLN A 57 14.753 8.136 5.143 1.00 0.00 N ATOM 0 H GLN A 57 11.910 7.125 0.755 1.00 0.00 H new ATOM 0 HA GLN A 57 14.784 6.550 0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 57 14.770 7.887 2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.146 8.349 2.227 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.148 6.700 3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.684 5.899 3.957 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.451 7.813 4.473 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.031 8.737 5.919 1.00 0.00 H new ATOM 809 N GLU A 58 12.369 4.652 2.015 1.00 0.00 N ATOM 810 CA GLU A 58 12.050 3.323 2.508 1.00 0.00 C ATOM 811 C GLU A 58 12.612 2.258 1.564 1.00 0.00 C ATOM 812 O GLU A 58 13.495 1.490 1.944 1.00 0.00 O ATOM 813 CB GLU A 58 10.540 3.154 2.689 1.00 0.00 C ATOM 814 CG GLU A 58 10.219 2.506 4.037 1.00 0.00 C ATOM 815 CD GLU A 58 10.406 0.988 3.975 1.00 0.00 C ATOM 816 OE1 GLU A 58 11.198 0.549 3.113 1.00 0.00 O ATOM 817 OE2 GLU A 58 9.753 0.302 4.790 1.00 0.00 O ATOM 0 H GLU A 58 11.559 5.221 1.767 1.00 0.00 H new ATOM 0 HA GLU A 58 12.516 3.197 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.051 4.126 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.140 2.540 1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.865 2.924 4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.193 2.738 4.321 1.00 0.00 H new ATOM 824 N GLY A 59 12.077 2.245 0.352 1.00 0.00 N ATOM 825 CA GLY A 59 12.514 1.287 -0.649 1.00 0.00 C ATOM 826 C GLY A 59 11.466 0.191 -0.854 1.00 0.00 C ATOM 827 O GLY A 59 11.717 -0.790 -1.552 1.00 0.00 O ATOM 0 H GLY A 59 11.345 2.883 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.698 1.800 -1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.459 0.839 -0.341 1.00 0.00 H new ATOM 831 N THR A 60 10.314 0.395 -0.232 1.00 0.00 N ATOM 832 CA THR A 60 9.227 -0.563 -0.337 1.00 0.00 C ATOM 833 C THR A 60 8.267 -0.160 -1.458 1.00 0.00 C ATOM 834 O THR A 60 7.907 -0.982 -2.298 1.00 0.00 O ATOM 835 CB THR A 60 8.553 -0.666 1.033 1.00 0.00 C ATOM 836 OG1 THR A 60 9.248 -1.727 1.683 1.00 0.00 O ATOM 837 CG2 THR A 60 7.111 -1.168 0.940 1.00 0.00 C ATOM 0 H THR A 60 10.110 1.210 0.347 1.00 0.00 H new ATOM 0 HA THR A 60 9.596 -1.552 -0.608 1.00 0.00 H new ATOM 0 HB THR A 60 8.567 0.310 1.518 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.989 -1.757 2.628 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.680 -1.223 1.939 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.525 -0.481 0.329 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.099 -2.159 0.485 1.00 0.00 H new ATOM 845 N ILE A 61 7.879 1.107 -1.433 1.00 0.00 N ATOM 846 CA ILE A 61 6.967 1.630 -2.437 1.00 0.00 C ATOM 847 C ILE A 61 7.772 2.158 -3.626 1.00 0.00 C ATOM 848 O ILE A 61 8.277 3.279 -3.589 1.00 0.00 O ATOM 849 CB ILE A 61 6.029 2.669 -1.819 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.540 2.217 -0.442 1.00 0.00 C ATOM 851 CG2 ILE A 61 4.868 2.989 -2.762 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.770 3.336 0.262 1.00 0.00 C ATOM 0 H ILE A 61 8.179 1.786 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 61 6.322 0.837 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 61 6.591 3.592 -1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.899 1.342 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.391 1.916 0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.217 3.730 -2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.259 3.385 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.300 2.080 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.434 2.988 1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.421 4.201 0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.906 3.618 -0.340 1.00 0.00 H new ATOM 864 N GLN A 62 7.867 1.325 -4.652 1.00 0.00 N ATOM 865 CA GLN A 62 8.602 1.694 -5.849 1.00 0.00 C ATOM 866 C GLN A 62 7.643 1.867 -7.029 1.00 0.00 C ATOM 867 O GLN A 62 6.791 1.013 -7.271 1.00 0.00 O ATOM 868 CB GLN A 62 9.684 0.660 -6.169 1.00 0.00 C ATOM 869 CG GLN A 62 10.861 0.780 -5.200 1.00 0.00 C ATOM 870 CD GLN A 62 11.722 -0.485 -5.223 1.00 0.00 C ATOM 871 OE1 GLN A 62 11.854 -1.158 -6.232 1.00 0.00 O ATOM 872 NE2 GLN A 62 12.298 -0.769 -4.058 1.00 0.00 N ATOM 0 H GLN A 62 7.447 0.396 -4.679 1.00 0.00 H new ATOM 0 HA GLN A 62 9.099 2.647 -5.667 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.262 -0.343 -6.111 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.035 0.800 -7.192 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.470 1.644 -5.467 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.489 0.953 -4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.145 -0.163 -3.252 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.892 -1.593 -3.970 1.00 0.00 H new ATOM 881 N LYS A 63 7.814 2.977 -7.731 1.00 0.00 N ATOM 882 CA LYS A 63 6.974 3.273 -8.879 1.00 0.00 C ATOM 883 C LYS A 63 6.880 2.033 -9.770 1.00 0.00 C ATOM 884 O LYS A 63 7.879 1.598 -10.342 1.00 0.00 O ATOM 885 CB LYS A 63 7.483 4.518 -9.609 1.00 0.00 C ATOM 886 CG LYS A 63 7.320 4.371 -11.123 1.00 0.00 C ATOM 887 CD LYS A 63 7.849 5.606 -11.854 1.00 0.00 C ATOM 888 CE LYS A 63 9.264 5.364 -12.386 1.00 0.00 C ATOM 889 NZ LYS A 63 9.217 4.889 -13.787 1.00 0.00 N ATOM 0 H LYS A 63 8.522 3.683 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 63 5.960 3.513 -8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.936 5.395 -9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.533 4.682 -9.367 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.854 3.485 -11.465 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.268 4.223 -11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.184 5.857 -12.680 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.852 6.460 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.843 6.285 -12.327 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.772 4.628 -11.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.185 4.730 -14.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.682 3.998 -13.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.751 5.605 -14.381 1.00 0.00 H new ATOM 903 N GLY A 64 5.671 1.499 -9.861 1.00 0.00 N ATOM 904 CA GLY A 64 5.434 0.317 -10.673 1.00 0.00 C ATOM 905 C GLY A 64 4.895 -0.834 -9.821 1.00 0.00 C ATOM 906 O GLY A 64 4.460 -1.854 -10.353 1.00 0.00 O ATOM 0 H GLY A 64 4.845 1.863 -9.386 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.723 0.552 -11.465 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.362 0.012 -11.158 1.00 0.00 H new ATOM 910 N ASN A 65 4.942 -0.632 -8.512 1.00 0.00 N ATOM 911 CA ASN A 65 4.465 -1.641 -7.582 1.00 0.00 C ATOM 912 C ASN A 65 2.935 -1.650 -7.588 1.00 0.00 C ATOM 913 O ASN A 65 2.309 -0.915 -8.351 1.00 0.00 O ATOM 914 CB ASN A 65 4.930 -1.339 -6.156 1.00 0.00 C ATOM 915 CG ASN A 65 6.406 -1.700 -5.973 1.00 0.00 C ATOM 916 OD1 ASN A 65 7.220 -0.895 -5.551 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.703 -2.950 -6.314 1.00 0.00 N ATOM 0 H ASN A 65 5.303 0.215 -8.074 1.00 0.00 H new ATOM 0 HA ASN A 65 4.865 -2.605 -7.895 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.781 -0.282 -5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.324 -1.900 -5.445 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.662 -3.288 -6.229 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.972 -3.571 -6.660 1.00 0.00 H new ATOM 924 N GLU A 66 2.376 -2.490 -6.729 1.00 0.00 N ATOM 925 CA GLU A 66 0.931 -2.604 -6.625 1.00 0.00 C ATOM 926 C GLU A 66 0.459 -2.138 -5.247 1.00 0.00 C ATOM 927 O GLU A 66 0.812 -2.735 -4.231 1.00 0.00 O ATOM 928 CB GLU A 66 0.474 -4.037 -6.905 1.00 0.00 C ATOM 929 CG GLU A 66 -0.922 -4.289 -6.330 1.00 0.00 C ATOM 930 CD GLU A 66 -1.593 -5.478 -7.021 1.00 0.00 C ATOM 931 OE1 GLU A 66 -1.097 -5.860 -8.103 1.00 0.00 O ATOM 932 OE2 GLU A 66 -2.587 -5.977 -6.452 1.00 0.00 O ATOM 0 H GLU A 66 2.898 -3.098 -6.098 1.00 0.00 H new ATOM 0 HA GLU A 66 0.480 -1.959 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.466 -4.217 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.183 -4.741 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.849 -4.480 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.537 -3.397 -6.454 1.00 0.00 H new ATOM 939 N VAL A 67 -0.331 -1.074 -5.256 1.00 0.00 N ATOM 940 CA VAL A 67 -0.855 -0.520 -4.019 1.00 0.00 C ATOM 941 C VAL A 67 -2.163 -1.230 -3.662 1.00 0.00 C ATOM 942 O VAL A 67 -3.132 -1.170 -4.417 1.00 0.00 O ATOM 943 CB VAL A 67 -1.014 0.996 -4.151 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.536 1.607 -2.849 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.303 1.650 -4.574 1.00 0.00 C ATOM 0 H VAL A 67 -0.621 -0.581 -6.101 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.158 -0.690 -3.198 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.750 1.190 -4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.640 2.685 -2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.506 1.173 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.834 1.398 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.163 2.727 -4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.069 1.443 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.617 1.246 -5.537 1.00 0.00 H new ATOM 955 N LEU A 68 -2.148 -1.884 -2.510 1.00 0.00 N ATOM 956 CA LEU A 68 -3.321 -2.604 -2.043 1.00 0.00 C ATOM 957 C LEU A 68 -4.225 -1.646 -1.265 1.00 0.00 C ATOM 958 O LEU A 68 -5.425 -1.571 -1.525 1.00 0.00 O ATOM 959 CB LEU A 68 -2.907 -3.843 -1.247 1.00 0.00 C ATOM 960 CG LEU A 68 -1.804 -4.702 -1.868 1.00 0.00 C ATOM 961 CD1 LEU A 68 -1.022 -5.455 -0.789 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.376 -5.648 -2.926 1.00 0.00 C ATOM 0 H LEU A 68 -1.342 -1.931 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.902 -2.976 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.577 -3.522 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.788 -4.468 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.100 -4.041 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.244 -6.058 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.564 -4.740 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.700 -6.104 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.571 -6.247 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.113 -6.306 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.852 -5.066 -3.715 1.00 0.00 H new ATOM 974 N SER A 69 -3.615 -0.939 -0.325 1.00 0.00 N ATOM 975 CA SER A 69 -4.350 0.011 0.493 1.00 0.00 C ATOM 976 C SER A 69 -3.439 1.173 0.892 1.00 0.00 C ATOM 977 O SER A 69 -2.223 1.100 0.722 1.00 0.00 O ATOM 978 CB SER A 69 -4.925 -0.665 1.739 1.00 0.00 C ATOM 979 OG SER A 69 -3.955 -0.791 2.774 1.00 0.00 O ATOM 0 H SER A 69 -2.620 -1.005 -0.112 1.00 0.00 H new ATOM 0 HA SER A 69 -5.183 0.397 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.773 -0.087 2.106 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.303 -1.653 1.474 1.00 0.00 H new ATOM 0 HG SER A 69 -4.362 -1.226 3.552 1.00 0.00 H new ATOM 985 N ILE A 70 -4.062 2.218 1.416 1.00 0.00 N ATOM 986 CA ILE A 70 -3.322 3.394 1.841 1.00 0.00 C ATOM 987 C ILE A 70 -3.950 3.952 3.120 1.00 0.00 C ATOM 988 O ILE A 70 -5.118 4.340 3.124 1.00 0.00 O ATOM 989 CB ILE A 70 -3.235 4.413 0.703 1.00 0.00 C ATOM 990 CG1 ILE A 70 -1.784 4.824 0.444 1.00 0.00 C ATOM 991 CG2 ILE A 70 -4.132 5.622 0.980 1.00 0.00 C ATOM 992 CD1 ILE A 70 -1.687 5.763 -0.760 1.00 0.00 C ATOM 0 H ILE A 70 -5.071 2.275 1.556 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.292 3.130 2.080 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.603 3.940 -0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.379 5.317 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.177 3.936 0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.052 6.331 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.167 5.293 1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.817 6.104 1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.645 6.040 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.071 5.259 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.276 6.660 -0.570 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.148 3.975 4.174 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.611 4.479 5.456 1.00 0.00 C ATOM 1006 C ASN A 71 -4.466 3.410 6.141 1.00 0.00 C ATOM 1007 O ASN A 71 -4.970 3.626 7.242 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.474 5.730 5.277 1.00 0.00 C ATOM 1009 CG ASN A 71 -4.074 6.819 6.275 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -4.890 7.356 7.006 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -2.777 7.113 6.264 1.00 0.00 N ATOM 0 H ASN A 71 -2.180 3.653 4.167 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.736 4.727 6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.368 6.107 4.260 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.525 5.474 5.414 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.411 7.827 6.894 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.149 6.625 5.626 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.602 2.282 5.461 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.386 1.179 5.990 1.00 0.00 C ATOM 1020 C GLY A 72 -6.716 1.044 5.244 1.00 0.00 C ATOM 1021 O GLY A 72 -7.528 0.179 5.567 1.00 0.00 O ATOM 0 H GLY A 72 -4.182 2.108 4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.820 0.251 5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.575 1.339 7.052 1.00 0.00 H new ATOM 1025 N LYS A 73 -6.897 1.914 4.261 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.114 1.904 3.468 1.00 0.00 C ATOM 1027 C LYS A 73 -7.864 1.134 2.169 1.00 0.00 C ATOM 1028 O LYS A 73 -7.040 1.542 1.351 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.623 3.329 3.249 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.469 3.421 1.977 1.00 0.00 C ATOM 1031 CD LYS A 73 -9.902 4.864 1.709 1.00 0.00 C ATOM 1032 CE LYS A 73 -11.332 5.106 2.195 1.00 0.00 C ATOM 1033 NZ LYS A 73 -11.328 5.629 3.579 1.00 0.00 N ATOM 0 H LYS A 73 -6.221 2.630 3.996 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.911 1.384 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.216 3.643 4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.778 4.014 3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.898 3.045 1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.349 2.786 2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.222 5.551 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.836 5.075 0.642 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.832 5.814 1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.899 4.176 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.058 5.141 4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.396 5.465 4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.528 6.650 3.565 1.00 0.00 H new ATOM 1047 N SER A 74 -8.589 0.036 2.020 1.00 0.00 N ATOM 1048 CA SER A 74 -8.456 -0.794 0.835 1.00 0.00 C ATOM 1049 C SER A 74 -9.202 -0.154 -0.338 1.00 0.00 C ATOM 1050 O SER A 74 -10.189 0.553 -0.139 1.00 0.00 O ATOM 1051 CB SER A 74 -8.983 -2.208 1.091 1.00 0.00 C ATOM 1052 OG SER A 74 -8.180 -3.199 0.455 1.00 0.00 O ATOM 0 H SER A 74 -9.271 -0.299 2.701 1.00 0.00 H new ATOM 0 HA SER A 74 -7.397 -0.869 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.010 -2.397 2.164 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.008 -2.284 0.729 1.00 0.00 H new ATOM 0 HG SER A 74 -8.547 -4.088 0.643 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.701 -0.425 -1.534 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.308 0.115 -2.739 1.00 0.00 C ATOM 1060 C LEU A 75 -10.481 -0.773 -3.157 1.00 0.00 C ATOM 1061 O LEU A 75 -10.281 -1.854 -3.709 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.254 0.297 -3.834 1.00 0.00 C ATOM 1063 CG LEU A 75 -6.883 0.791 -3.369 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.811 0.505 -4.423 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -6.933 2.273 -2.991 1.00 0.00 C ATOM 0 H LEU A 75 -7.882 -1.011 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.713 1.109 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.121 -0.657 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.641 1.001 -4.570 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.608 0.238 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.846 0.866 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.753 -0.569 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.069 1.014 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.946 2.599 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.240 2.859 -3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.649 2.418 -2.182 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.680 -0.285 -2.877 1.00 0.00 N ATOM 1078 CA LYS A 76 -12.886 -1.021 -3.217 1.00 0.00 C ATOM 1079 C LYS A 76 -13.315 -0.660 -4.641 1.00 0.00 C ATOM 1080 O LYS A 76 -14.429 -0.974 -5.056 1.00 0.00 O ATOM 1081 CB LYS A 76 -13.974 -0.781 -2.168 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.646 0.578 -2.376 1.00 0.00 C ATOM 1083 CD LYS A 76 -16.051 0.411 -2.958 1.00 0.00 C ATOM 1084 CE LYS A 76 -16.537 1.713 -3.599 1.00 0.00 C ATOM 1085 NZ LYS A 76 -17.885 1.532 -4.182 1.00 0.00 N ATOM 0 H LYS A 76 -11.843 0.611 -2.418 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.693 -2.094 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.721 -1.573 -2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.538 -0.826 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.703 1.109 -1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.041 1.188 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.048 -0.386 -3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.741 0.109 -2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.561 2.506 -2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.838 2.027 -4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.200 2.425 -4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.852 0.789 -4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.552 1.254 -3.434 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.407 -0.006 -5.350 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.677 0.401 -6.718 1.00 0.00 C ATOM 1101 C GLY A 77 -12.684 1.926 -6.846 1.00 0.00 C ATOM 1102 O GLY A 77 -13.338 2.475 -7.731 1.00 0.00 O ATOM 0 H GLY A 77 -11.483 0.252 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.922 -0.020 -7.382 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.640 0.001 -7.037 1.00 0.00 H new ATOM 1106 N THR A 78 -11.949 2.566 -5.948 1.00 0.00 N ATOM 1107 CA THR A 78 -11.863 4.017 -5.949 1.00 0.00 C ATOM 1108 C THR A 78 -11.353 4.520 -7.301 1.00 0.00 C ATOM 1109 O THR A 78 -10.455 3.921 -7.891 1.00 0.00 O ATOM 1110 CB THR A 78 -10.982 4.439 -4.771 1.00 0.00 C ATOM 1111 OG1 THR A 78 -10.910 3.272 -3.956 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.660 5.478 -3.876 1.00 0.00 C ATOM 0 H THR A 78 -11.408 2.107 -5.215 1.00 0.00 H new ATOM 0 HA THR A 78 -12.845 4.472 -5.818 1.00 0.00 H new ATOM 0 HB THR A 78 -10.042 4.842 -5.147 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.062 2.809 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.993 5.743 -3.056 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.888 6.369 -4.461 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.584 5.063 -3.472 1.00 0.00 H new ATOM 1120 N THR A 79 -11.947 5.614 -7.752 1.00 0.00 N ATOM 1121 CA THR A 79 -11.564 6.205 -9.023 1.00 0.00 C ATOM 1122 C THR A 79 -10.191 6.870 -8.909 1.00 0.00 C ATOM 1123 O THR A 79 -9.717 7.140 -7.807 1.00 0.00 O ATOM 1124 CB THR A 79 -12.673 7.168 -9.450 1.00 0.00 C ATOM 1125 OG1 THR A 79 -13.038 7.834 -8.244 1.00 0.00 O ATOM 1126 CG2 THR A 79 -13.950 6.440 -9.875 1.00 0.00 C ATOM 0 H THR A 79 -12.692 6.108 -7.260 1.00 0.00 H new ATOM 0 HA THR A 79 -11.459 5.445 -9.797 1.00 0.00 H new ATOM 0 HB THR A 79 -12.318 7.788 -10.273 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.115 8.796 -8.412 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.705 7.170 -10.168 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.732 5.785 -10.718 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.325 5.846 -9.042 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.591 7.117 -10.065 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.282 7.746 -10.109 1.00 0.00 C ATOM 1136 C HIS A 80 -8.279 8.988 -9.215 1.00 0.00 C ATOM 1137 O HIS A 80 -7.253 9.333 -8.631 1.00 0.00 O ATOM 1138 CB HIS A 80 -7.875 8.052 -11.551 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.419 8.416 -11.715 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.393 7.505 -11.530 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -5.827 9.599 -12.048 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.241 8.124 -11.744 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.512 9.421 -12.064 1.00 0.00 N ATOM 0 H HIS A 80 -9.987 6.893 -10.978 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.531 7.059 -9.719 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.094 7.183 -12.171 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.488 8.872 -11.924 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.505 6.524 -11.273 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.341 10.524 -12.262 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.259 7.679 -11.677 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.438 9.624 -9.137 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.582 10.820 -8.325 1.00 0.00 C ATOM 1153 C HIS A 81 -9.800 10.424 -6.863 1.00 0.00 C ATOM 1154 O HIS A 81 -9.004 10.778 -5.995 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.696 11.716 -8.869 1.00 0.00 C ATOM 1156 CG HIS A 81 -11.121 12.812 -7.922 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -12.350 13.444 -8.008 1.00 0.00 N ATOM 1158 CD2 HIS A 81 -10.469 13.381 -6.867 1.00 0.00 C ATOM 1159 CE1 HIS A 81 -12.423 14.351 -7.045 1.00 0.00 C ATOM 1160 NE2 HIS A 81 -11.256 14.311 -6.339 1.00 0.00 N ATOM 0 H HIS A 81 -10.287 9.334 -9.623 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.666 11.409 -8.373 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.362 12.167 -9.803 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.562 11.098 -9.105 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.480 13.119 -6.520 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -13.259 15.007 -6.853 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.026 14.899 -5.538 1.00 0.00 H new ATOM 1168 N ASP A 82 -10.883 9.696 -6.636 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.216 9.248 -5.295 1.00 0.00 C ATOM 1170 C ASP A 82 -9.963 8.682 -4.624 1.00 0.00 C ATOM 1171 O ASP A 82 -9.842 8.712 -3.400 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.273 8.142 -5.329 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.654 8.583 -5.819 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -13.707 9.629 -6.501 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.626 7.864 -5.499 1.00 0.00 O ATOM 0 H ASP A 82 -11.541 9.405 -7.359 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.606 10.103 -4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.915 7.338 -5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.375 7.727 -4.326 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.061 8.180 -5.456 1.00 0.00 N ATOM 1181 CA ALA A 83 -7.821 7.609 -4.959 1.00 0.00 C ATOM 1182 C ALA A 83 -6.838 8.736 -4.637 1.00 0.00 C ATOM 1183 O ALA A 83 -6.305 8.803 -3.530 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.263 6.625 -5.989 1.00 0.00 C ATOM 0 H ALA A 83 -9.165 8.157 -6.470 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.997 7.052 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.333 6.197 -5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.987 5.828 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.072 7.148 -6.926 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.627 9.594 -5.624 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.718 10.715 -5.460 1.00 0.00 C ATOM 1192 C LEU A 84 -6.050 11.450 -4.160 1.00 0.00 C ATOM 1193 O LEU A 84 -5.172 11.673 -3.328 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.746 11.614 -6.699 1.00 0.00 C ATOM 1195 CG LEU A 84 -4.931 11.128 -7.899 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -4.501 9.671 -7.716 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -5.699 11.339 -9.205 1.00 0.00 C ATOM 0 H LEU A 84 -7.070 9.535 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.690 10.362 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.783 11.733 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.383 12.602 -6.415 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.022 11.727 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.923 9.351 -8.583 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.888 9.582 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.385 9.041 -7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.097 10.985 -10.042 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.636 10.782 -9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.912 12.400 -9.334 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.319 11.805 -4.026 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.777 12.510 -2.841 1.00 0.00 C ATOM 1211 C ALA A 85 -7.464 11.671 -1.600 1.00 0.00 C ATOM 1212 O ALA A 85 -6.842 12.158 -0.658 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.270 12.817 -2.975 1.00 0.00 C ATOM 0 H ALA A 85 -8.044 11.618 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.256 13.462 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.614 13.346 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.436 13.439 -3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.825 11.885 -3.080 1.00 0.00 H new ATOM 1219 N ILE A 86 -7.909 10.424 -1.641 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.683 9.512 -0.532 1.00 0.00 C ATOM 1221 C ILE A 86 -6.210 9.569 -0.122 1.00 0.00 C ATOM 1222 O ILE A 86 -5.891 9.535 1.065 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.169 8.105 -0.888 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.525 7.814 -0.242 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -7.121 7.054 -0.519 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.540 7.345 -1.286 1.00 0.00 C ATOM 0 H ILE A 86 -8.425 10.023 -2.424 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.267 9.816 0.336 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.309 8.055 -1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.409 7.050 0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.896 8.711 0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.491 6.063 -0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.198 7.253 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.926 7.096 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.495 7.145 -0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.672 8.121 -2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.177 6.434 -1.762 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.352 9.654 -1.128 1.00 0.00 N ATOM 1239 CA LEU A 87 -3.921 9.715 -0.887 1.00 0.00 C ATOM 1240 C LEU A 87 -3.576 11.051 -0.225 1.00 0.00 C ATOM 1241 O LEU A 87 -2.655 11.126 0.586 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.148 9.454 -2.182 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.688 9.912 -2.195 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.589 11.420 -2.431 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -0.967 9.484 -0.916 1.00 0.00 C ATOM 0 H LEU A 87 -5.621 9.682 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.617 8.928 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.174 8.384 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.671 9.949 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.184 9.421 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.541 11.720 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.042 11.669 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.114 11.948 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.069 9.822 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.464 9.927 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.991 8.398 -0.831 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.335 12.072 -0.596 1.00 0.00 N ATOM 1258 CA ARG A 88 -4.122 13.401 -0.048 1.00 0.00 C ATOM 1259 C ARG A 88 -4.595 13.457 1.406 1.00 0.00 C ATOM 1260 O ARG A 88 -4.294 14.410 2.124 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.870 14.459 -0.861 1.00 0.00 C ATOM 1262 CG ARG A 88 -4.163 14.727 -2.192 1.00 0.00 C ATOM 1263 CD ARG A 88 -4.943 15.740 -3.032 1.00 0.00 C ATOM 1264 NE ARG A 88 -4.083 16.901 -3.352 1.00 0.00 N ATOM 1265 CZ ARG A 88 -3.878 17.935 -2.524 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -4.470 17.958 -1.322 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -3.081 18.945 -2.899 1.00 0.00 N ATOM 0 H ARG A 88 -5.098 12.006 -1.269 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.054 13.612 -0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.891 14.125 -1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.937 15.384 -0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.157 15.102 -2.005 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.057 13.794 -2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.291 15.270 -3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.828 16.071 -2.488 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.617 16.915 -4.259 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.076 17.189 -1.037 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.314 18.745 -0.692 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.631 18.927 -3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.925 19.732 -2.269 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.328 12.425 1.797 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.846 12.346 3.153 1.00 0.00 C ATOM 1283 C GLN A 89 -4.891 11.542 4.039 1.00 0.00 C ATOM 1284 O GLN A 89 -4.773 11.812 5.233 1.00 0.00 O ATOM 1285 CB GLN A 89 -7.250 11.739 3.168 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.242 12.633 2.421 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.551 12.771 3.201 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.581 12.763 4.420 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.628 12.899 2.431 1.00 0.00 N ATOM 0 H GLN A 89 -5.576 11.637 1.199 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.919 13.357 3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.228 10.751 2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.581 11.604 4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.802 13.618 2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.444 12.214 1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.532 12.898 1.416 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.550 12.998 2.856 1.00 0.00 H new ATOM 1298 N ALA A 90 -4.236 10.571 3.420 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.296 9.727 4.138 1.00 0.00 C ATOM 1300 C ALA A 90 -2.058 10.548 4.506 1.00 0.00 C ATOM 1301 O ALA A 90 -1.202 10.083 5.256 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.952 8.505 3.284 1.00 0.00 C ATOM 0 H ALA A 90 -4.338 10.350 2.429 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.738 9.363 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.247 7.872 3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.860 7.940 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.503 8.831 2.346 1.00 0.00 H new ATOM 1308 N ARG A 91 -2.004 11.754 3.961 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.885 12.644 4.223 1.00 0.00 C ATOM 1310 C ARG A 91 -1.250 13.645 5.321 1.00 0.00 C ATOM 1311 O ARG A 91 -0.387 14.369 5.816 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.481 13.407 2.960 1.00 0.00 C ATOM 1313 CG ARG A 91 -0.106 12.442 1.833 1.00 0.00 C ATOM 1314 CD ARG A 91 -0.295 13.098 0.464 1.00 0.00 C ATOM 1315 NE ARG A 91 0.867 12.802 -0.404 1.00 0.00 N ATOM 1316 CZ ARG A 91 1.049 13.330 -1.622 1.00 0.00 C ATOM 1317 NH1 ARG A 91 0.147 14.184 -2.123 1.00 0.00 N ATOM 1318 NH2 ARG A 91 2.134 13.004 -2.338 1.00 0.00 N ATOM 0 H ARG A 91 -2.717 12.136 3.339 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.043 12.033 4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.303 14.046 2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.363 14.061 3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.931 12.127 1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.721 11.544 1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.210 12.731 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.407 14.176 0.580 1.00 0.00 H new ATOM 0 HE ARG A 91 1.574 12.156 -0.053 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.678 14.432 -1.577 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.285 14.586 -3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.821 12.354 -1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.273 13.406 -3.265 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.528 13.655 5.668 1.00 0.00 N ATOM 1333 CA GLU A 92 -3.017 14.556 6.698 1.00 0.00 C ATOM 1334 C GLU A 92 -2.346 14.245 8.037 1.00 0.00 C ATOM 1335 O GLU A 92 -1.946 15.155 8.762 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.540 14.478 6.817 1.00 0.00 C ATOM 1337 CG GLU A 92 -5.207 14.671 5.454 1.00 0.00 C ATOM 1338 CD GLU A 92 -5.624 16.129 5.249 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -6.769 16.451 5.634 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -4.789 16.889 4.714 1.00 0.00 O ATOM 0 H GLU A 92 -3.240 13.053 5.254 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.760 15.576 6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.827 13.512 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.894 15.241 7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.520 14.371 4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.082 14.025 5.378 1.00 0.00 H new ATOM 1347 N PRO A 93 -2.240 12.922 8.334 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.625 12.479 9.574 1.00 0.00 C ATOM 1349 C PRO A 93 -0.102 12.622 9.511 1.00 0.00 C ATOM 1350 O PRO A 93 0.424 13.319 8.645 1.00 0.00 O ATOM 1351 CB PRO A 93 -2.079 11.039 9.747 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.548 10.582 8.375 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.703 11.816 7.500 1.00 0.00 C ATOM 0 HA PRO A 93 -1.925 13.082 10.431 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.263 10.413 10.109 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.884 10.969 10.478 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.828 9.891 7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.495 10.048 8.454 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.111 11.732 6.589 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.740 11.957 7.195 1.00 0.00 H new ATOM 1361 N ARG A 94 0.562 11.951 10.441 1.00 0.00 N ATOM 1362 CA ARG A 94 2.013 11.995 10.503 1.00 0.00 C ATOM 1363 C ARG A 94 2.604 10.662 10.038 1.00 0.00 C ATOM 1364 O ARG A 94 3.778 10.592 9.678 1.00 0.00 O ATOM 1365 CB ARG A 94 2.495 12.291 11.924 1.00 0.00 C ATOM 1366 CG ARG A 94 2.812 13.778 12.097 1.00 0.00 C ATOM 1367 CD ARG A 94 1.926 14.405 13.176 1.00 0.00 C ATOM 1368 NE ARG A 94 2.321 15.814 13.399 1.00 0.00 N ATOM 1369 CZ ARG A 94 1.659 16.662 14.197 1.00 0.00 C ATOM 1370 NH1 ARG A 94 0.566 16.250 14.853 1.00 0.00 N ATOM 1371 NH2 ARG A 94 2.090 17.923 14.339 1.00 0.00 N ATOM 0 H ARG A 94 0.122 11.374 11.158 1.00 0.00 H new ATOM 0 HA ARG A 94 2.349 12.795 9.844 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.730 11.993 12.641 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.384 11.698 12.141 1.00 0.00 H new ATOM 0 HG2 ARG A 94 3.861 13.901 12.366 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.662 14.298 11.151 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.880 14.355 12.874 1.00 0.00 H new ATOM 0 HD3 ARG A 94 2.016 13.842 14.105 1.00 0.00 H new ATOM 0 HE ARG A 94 3.149 16.161 12.915 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.238 15.290 14.745 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.062 16.896 15.461 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.922 18.237 13.839 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.586 18.569 14.947 1.00 0.00 H new ATOM 1385 N GLN A 95 1.763 9.639 10.060 1.00 0.00 N ATOM 1386 CA GLN A 95 2.188 8.312 9.646 1.00 0.00 C ATOM 1387 C GLN A 95 1.327 7.820 8.480 1.00 0.00 C ATOM 1388 O GLN A 95 0.140 8.131 8.406 1.00 0.00 O ATOM 1389 CB GLN A 95 2.139 7.330 10.817 1.00 0.00 C ATOM 1390 CG GLN A 95 2.864 6.027 10.472 1.00 0.00 C ATOM 1391 CD GLN A 95 2.477 4.910 11.442 1.00 0.00 C ATOM 1392 OE1 GLN A 95 3.179 4.607 12.392 1.00 0.00 O ATOM 1393 NE2 GLN A 95 1.322 4.316 11.152 1.00 0.00 N ATOM 0 H GLN A 95 0.789 9.702 10.358 1.00 0.00 H new ATOM 0 HA GLN A 95 3.223 8.371 9.309 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.597 7.784 11.696 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.101 7.116 11.073 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.619 5.729 9.453 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.942 6.186 10.507 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.783 4.618 10.341 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.976 3.558 11.741 1.00 0.00 H new ATOM 1402 N ALA A 96 1.960 7.058 7.600 1.00 0.00 N ATOM 1403 CA ALA A 96 1.268 6.519 6.442 1.00 0.00 C ATOM 1404 C ALA A 96 1.469 5.004 6.392 1.00 0.00 C ATOM 1405 O ALA A 96 2.584 4.516 6.573 1.00 0.00 O ATOM 1406 CB ALA A 96 1.770 7.217 5.176 1.00 0.00 C ATOM 0 H ALA A 96 2.945 6.801 7.666 1.00 0.00 H new ATOM 0 HA ALA A 96 0.197 6.706 6.514 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.251 6.812 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.576 8.287 5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.842 7.049 5.069 1.00 0.00 H new ATOM 1412 N VAL A 97 0.374 4.301 6.144 1.00 0.00 N ATOM 1413 CA VAL A 97 0.417 2.850 6.068 1.00 0.00 C ATOM 1414 C VAL A 97 0.090 2.409 4.640 1.00 0.00 C ATOM 1415 O VAL A 97 -0.995 2.690 4.133 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.524 2.244 7.111 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -1.068 0.894 6.639 1.00 0.00 C ATOM 1418 CG2 VAL A 97 0.174 2.110 8.467 1.00 0.00 C ATOM 0 H VAL A 97 -0.549 4.709 5.993 1.00 0.00 H new ATOM 0 HA VAL A 97 1.417 2.484 6.300 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.369 2.922 7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.734 0.485 7.398 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.619 1.029 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.239 0.205 6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.517 1.677 9.190 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.046 1.463 8.365 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.491 3.094 8.812 1.00 0.00 H new ATOM 1428 N ILE A 98 1.048 1.726 4.032 1.00 0.00 N ATOM 1429 CA ILE A 98 0.876 1.243 2.672 1.00 0.00 C ATOM 1430 C ILE A 98 1.193 -0.253 2.623 1.00 0.00 C ATOM 1431 O ILE A 98 2.264 -0.679 3.052 1.00 0.00 O ATOM 1432 CB ILE A 98 1.707 2.080 1.697 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.472 3.576 1.921 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.434 1.667 0.250 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.511 4.156 2.883 1.00 0.00 C ATOM 0 H ILE A 98 1.947 1.495 4.456 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.160 1.360 2.354 1.00 0.00 H new ATOM 0 HB ILE A 98 2.762 1.887 1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.520 4.102 0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.471 3.735 2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.037 2.277 -0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.692 0.616 0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.378 1.813 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.321 5.220 3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.444 3.644 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.509 4.018 2.467 1.00 0.00 H new ATOM 1447 N VAL A 99 0.241 -1.009 2.096 1.00 0.00 N ATOM 1448 CA VAL A 99 0.405 -2.449 1.985 1.00 0.00 C ATOM 1449 C VAL A 99 0.626 -2.821 0.517 1.00 0.00 C ATOM 1450 O VAL A 99 -0.220 -2.543 -0.332 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.796 -3.162 2.608 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.557 -4.671 2.689 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.123 -2.584 3.986 1.00 0.00 C ATOM 0 H VAL A 99 -0.646 -0.652 1.741 1.00 0.00 H new ATOM 0 HA VAL A 99 1.284 -2.777 2.540 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.657 -2.994 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.426 -5.154 3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.397 -5.068 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.322 -4.868 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.981 -3.109 4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.264 -2.707 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.358 -1.524 3.890 1.00 0.00 H new ATOM 1463 N THR A 100 1.767 -3.444 0.263 1.00 0.00 N ATOM 1464 CA THR A 100 2.109 -3.857 -1.088 1.00 0.00 C ATOM 1465 C THR A 100 2.756 -5.244 -1.073 1.00 0.00 C ATOM 1466 O THR A 100 3.197 -5.716 -0.027 1.00 0.00 O ATOM 1467 CB THR A 100 3.003 -2.776 -1.700 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.182 -2.806 -0.901 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.445 -1.367 -1.490 1.00 0.00 C ATOM 0 H THR A 100 2.466 -3.673 0.969 1.00 0.00 H new ATOM 0 HA THR A 100 1.219 -3.954 -1.710 1.00 0.00 H new ATOM 0 HB THR A 100 3.121 -2.964 -2.767 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.817 -2.136 -1.230 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.117 -0.638 -1.943 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.462 -1.292 -1.955 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.358 -1.166 -0.422 1.00 0.00 H new ATOM 1477 N ARG A 101 2.791 -5.857 -2.247 1.00 0.00 N ATOM 1478 CA ARG A 101 3.377 -7.180 -2.383 1.00 0.00 C ATOM 1479 C ARG A 101 4.373 -7.203 -3.544 1.00 0.00 C ATOM 1480 O ARG A 101 4.179 -6.518 -4.547 1.00 0.00 O ATOM 1481 CB ARG A 101 2.298 -8.237 -2.625 1.00 0.00 C ATOM 1482 CG ARG A 101 1.609 -8.019 -3.974 1.00 0.00 C ATOM 1483 CD ARG A 101 0.123 -7.707 -3.788 1.00 0.00 C ATOM 1484 NE ARG A 101 -0.681 -8.466 -4.772 1.00 0.00 N ATOM 1485 CZ ARG A 101 -0.791 -9.801 -4.783 1.00 0.00 C ATOM 1486 NH1 ARG A 101 -0.150 -10.534 -3.862 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -1.542 -10.404 -5.715 1.00 0.00 N ATOM 0 H ARG A 101 2.423 -5.462 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 101 3.894 -7.411 -1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.745 -9.231 -2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.559 -8.197 -1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.093 -7.199 -4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.722 -8.910 -4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.187 -7.966 -2.776 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.051 -6.638 -3.911 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.183 -7.939 -5.487 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.422 -10.075 -3.153 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.234 -11.551 -3.870 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.030 -9.846 -6.416 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.626 -11.421 -5.723 1.00 0.00 H new