USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 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 Set 1.1: A 32 SER OG : rot 180:sc= -0.263 USER MOD Set 1.2: A 47 HIS : no HE2:sc= 0.138 K(o=-0.13,f=-2.4!) USER MOD Set 2.1: A 19 THR OG1 : rot -52:sc= -5.31! USER MOD Set 2.2: A 60 THR OG1 : rot 175:sc= 0.155 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -1.8 F(o=-2.8!,f=-1.8) USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= -1.19! (180deg=-1.46) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 42 LYS NZ :NH3+ -162:sc=-0.00713 (180deg=-0.178) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc=-0.00713 X(o=-0.0071,f=-0.099) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.863 F(o=-1.5,f=-0.86) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -3.6! C(o=-3.6!,f=-16!) USER MOD Single : A 69 SER OG : rot 180:sc= -1.58 USER MOD Single : A 71 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.0047) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc=-0.00278 (180deg=-0.196) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 79 THR OG1 : rot -112:sc= -1.5 USER MOD Single : A 80 HIS : no HE2:sc= -3.96! C(o=-4!,f=-6!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 89 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.93) USER MOD Single : A 95 GLN : amide:sc= -2.49! C(o=-2.5!,f=-2.4!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 205 N HIS A 17 4.823 -6.621 3.055 1.00 0.00 N ATOM 206 CA HIS A 17 5.545 -5.927 4.108 1.00 0.00 C ATOM 207 C HIS A 17 4.967 -4.522 4.287 1.00 0.00 C ATOM 208 O HIS A 17 4.998 -3.712 3.362 1.00 0.00 O ATOM 209 CB HIS A 17 7.048 -5.918 3.820 1.00 0.00 C ATOM 210 CG HIS A 17 7.885 -5.352 4.943 1.00 0.00 C ATOM 211 ND1 HIS A 17 8.147 -6.050 6.108 1.00 0.00 N ATOM 212 CD2 HIS A 17 8.515 -4.148 5.065 1.00 0.00 C ATOM 213 CE1 HIS A 17 8.901 -5.292 6.890 1.00 0.00 C ATOM 214 NE2 HIS A 17 9.128 -4.113 6.242 1.00 0.00 N ATOM 0 HA HIS A 17 5.418 -6.457 5.052 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.375 -6.938 3.615 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.231 -5.337 2.916 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.515 -3.358 4.329 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.271 -5.560 7.869 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.678 -3.333 6.602 1.00 0.00 H new ATOM 222 N VAL A 18 4.454 -4.276 5.483 1.00 0.00 N ATOM 223 CA VAL A 18 3.870 -2.983 5.796 1.00 0.00 C ATOM 224 C VAL A 18 4.982 -1.937 5.900 1.00 0.00 C ATOM 225 O VAL A 18 6.032 -2.199 6.485 1.00 0.00 O ATOM 226 CB VAL A 18 3.023 -3.084 7.066 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.707 -1.695 7.626 1.00 0.00 C ATOM 228 CG2 VAL A 18 1.740 -3.876 6.808 1.00 0.00 C ATOM 0 H VAL A 18 4.431 -4.951 6.248 1.00 0.00 H new ATOM 0 HA VAL A 18 3.198 -2.665 4.999 1.00 0.00 H new ATOM 0 HB VAL A 18 3.604 -3.623 7.814 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.104 -1.795 8.528 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.637 -1.179 7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.155 -1.120 6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.156 -3.933 7.727 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.154 -3.378 6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.994 -4.883 6.477 1.00 0.00 H new ATOM 238 N THR A 19 4.714 -0.775 5.324 1.00 0.00 N ATOM 239 CA THR A 19 5.679 0.311 5.345 1.00 0.00 C ATOM 240 C THR A 19 5.145 1.484 6.170 1.00 0.00 C ATOM 241 O THR A 19 4.278 2.226 5.710 1.00 0.00 O ATOM 242 CB THR A 19 6.003 0.684 3.897 1.00 0.00 C ATOM 243 OG1 THR A 19 6.978 -0.277 3.500 1.00 0.00 O ATOM 244 CG2 THR A 19 6.734 2.024 3.786 1.00 0.00 C ATOM 0 H THR A 19 3.842 -0.561 4.840 1.00 0.00 H new ATOM 0 HA THR A 19 6.605 0.007 5.833 1.00 0.00 H new ATOM 0 HB THR A 19 5.080 0.725 3.319 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.703 -0.299 4.159 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.940 2.240 2.738 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.111 2.814 4.204 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.673 1.973 4.337 1.00 0.00 H new ATOM 252 N ILE A 20 5.684 1.614 7.373 1.00 0.00 N ATOM 253 CA ILE A 20 5.272 2.684 8.266 1.00 0.00 C ATOM 254 C ILE A 20 6.185 3.894 8.059 1.00 0.00 C ATOM 255 O ILE A 20 7.348 3.875 8.460 1.00 0.00 O ATOM 256 CB ILE A 20 5.227 2.187 9.712 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.119 1.149 9.901 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.091 3.356 10.689 1.00 0.00 C ATOM 259 CD1 ILE A 20 2.738 1.805 9.843 1.00 0.00 C ATOM 0 H ILE A 20 6.403 0.996 7.750 1.00 0.00 H new ATOM 0 HA ILE A 20 4.257 3.006 8.033 1.00 0.00 H new ATOM 0 HB ILE A 20 6.172 1.692 9.933 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.196 0.385 9.127 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.247 0.646 10.859 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.061 2.975 11.710 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.944 4.026 10.576 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.171 3.901 10.478 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.968 1.045 9.980 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.656 2.551 10.633 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.604 2.286 8.874 1.00 0.00 H new ATOM 271 N LEU A 21 5.624 4.919 7.434 1.00 0.00 N ATOM 272 CA LEU A 21 6.373 6.135 7.169 1.00 0.00 C ATOM 273 C LEU A 21 6.048 7.173 8.246 1.00 0.00 C ATOM 274 O LEU A 21 4.881 7.402 8.560 1.00 0.00 O ATOM 275 CB LEU A 21 6.112 6.626 5.744 1.00 0.00 C ATOM 276 CG LEU A 21 6.608 5.715 4.619 1.00 0.00 C ATOM 277 CD1 LEU A 21 7.776 4.847 5.092 1.00 0.00 C ATOM 278 CD2 LEU A 21 5.463 4.874 4.050 1.00 0.00 C ATOM 0 H LEU A 21 4.659 4.932 7.103 1.00 0.00 H new ATOM 0 HA LEU A 21 7.444 5.942 7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.039 6.770 5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.580 7.603 5.626 1.00 0.00 H new ATOM 0 HG LEU A 21 6.980 6.343 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.110 4.209 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.598 5.487 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.453 4.226 5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.842 4.235 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.039 4.254 4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.691 5.532 3.652 1.00 0.00 H new ATOM 290 N HIS A 22 7.101 7.773 8.781 1.00 0.00 N ATOM 291 CA HIS A 22 6.943 8.780 9.816 1.00 0.00 C ATOM 292 C HIS A 22 7.337 10.151 9.262 1.00 0.00 C ATOM 293 O HIS A 22 8.522 10.451 9.123 1.00 0.00 O ATOM 294 CB HIS A 22 7.731 8.399 11.071 1.00 0.00 C ATOM 295 CG HIS A 22 7.787 6.913 11.333 1.00 0.00 C ATOM 296 ND1 HIS A 22 8.560 5.938 10.776 1.00 0.00 N flip ATOM 297 CD2 HIS A 22 6.978 6.286 12.266 1.00 0.00 C flip ATOM 298 CE1 HIS A 22 8.243 4.778 11.338 1.00 0.00 C flip ATOM 299 NE2 HIS A 22 7.262 4.992 12.262 1.00 0.00 N flip ATOM 0 H HIS A 22 8.067 7.581 8.517 1.00 0.00 H new ATOM 0 HA HIS A 22 5.897 8.835 10.118 1.00 0.00 H new ATOM 0 HB2 HIS A 22 8.748 8.780 10.979 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.283 8.893 11.933 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.241 6.770 12.890 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.688 3.823 11.103 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.824 4.280 12.847 1.00 0.00 H new ATOM 307 N LYS A 23 6.321 10.946 8.961 1.00 0.00 N ATOM 308 CA LYS A 23 6.546 12.278 8.425 1.00 0.00 C ATOM 309 C LYS A 23 5.725 13.291 9.226 1.00 0.00 C ATOM 310 O LYS A 23 5.091 12.935 10.218 1.00 0.00 O ATOM 311 CB LYS A 23 6.261 12.306 6.922 1.00 0.00 C ATOM 312 CG LYS A 23 4.766 12.488 6.651 1.00 0.00 C ATOM 313 CD LYS A 23 4.187 11.268 5.930 1.00 0.00 C ATOM 314 CE LYS A 23 2.662 11.233 6.050 1.00 0.00 C ATOM 315 NZ LYS A 23 2.103 12.600 5.957 1.00 0.00 N ATOM 0 H LYS A 23 5.340 10.694 9.078 1.00 0.00 H new ATOM 0 HA LYS A 23 7.593 12.560 8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.820 13.118 6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.607 11.379 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.238 12.643 7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.608 13.381 6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.472 11.293 4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.610 10.357 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.244 10.608 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.376 10.781 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.168 12.625 6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.739 13.269 6.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.008 12.869 4.957 1.00 0.00 H new ATOM 329 N GLU A 24 5.764 14.532 8.765 1.00 0.00 N ATOM 330 CA GLU A 24 5.032 15.599 9.426 1.00 0.00 C ATOM 331 C GLU A 24 3.604 15.678 8.884 1.00 0.00 C ATOM 332 O GLU A 24 3.279 15.038 7.885 1.00 0.00 O ATOM 333 CB GLU A 24 5.753 16.939 9.268 1.00 0.00 C ATOM 334 CG GLU A 24 4.962 17.884 8.362 1.00 0.00 C ATOM 335 CD GLU A 24 5.816 19.081 7.939 1.00 0.00 C ATOM 336 OE1 GLU A 24 5.942 20.009 8.767 1.00 0.00 O ATOM 337 OE2 GLU A 24 6.323 19.042 6.798 1.00 0.00 O ATOM 0 H GLU A 24 6.291 14.823 7.942 1.00 0.00 H new ATOM 0 HA GLU A 24 4.984 15.373 10.491 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.892 17.399 10.246 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.746 16.775 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.621 17.345 7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.072 18.234 8.885 1.00 0.00 H new ATOM 344 N GLU A 25 2.788 16.469 9.566 1.00 0.00 N ATOM 345 CA GLU A 25 1.402 16.639 9.165 1.00 0.00 C ATOM 346 C GLU A 25 1.324 17.382 7.830 1.00 0.00 C ATOM 347 O GLU A 25 1.461 18.604 7.786 1.00 0.00 O ATOM 348 CB GLU A 25 0.605 17.371 10.247 1.00 0.00 C ATOM 349 CG GLU A 25 -0.032 16.379 11.223 1.00 0.00 C ATOM 350 CD GLU A 25 0.024 16.909 12.657 1.00 0.00 C ATOM 351 OE1 GLU A 25 0.145 18.144 12.802 1.00 0.00 O ATOM 352 OE2 GLU A 25 -0.055 16.066 13.577 1.00 0.00 O ATOM 0 H GLU A 25 3.061 16.999 10.394 1.00 0.00 H new ATOM 0 HA GLU A 25 0.957 15.652 9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.261 18.051 10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.171 17.980 9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.069 16.198 10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.486 15.422 11.165 1.00 0.00 H new ATOM 359 N GLY A 26 1.103 16.613 6.774 1.00 0.00 N ATOM 360 CA GLY A 26 1.004 17.183 5.441 1.00 0.00 C ATOM 361 C GLY A 26 2.376 17.236 4.764 1.00 0.00 C ATOM 362 O GLY A 26 2.529 17.853 3.712 1.00 0.00 O ATOM 0 H GLY A 26 0.990 15.600 6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.319 16.588 4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.585 18.187 5.501 1.00 0.00 H new ATOM 366 N ALA A 27 3.337 16.579 5.396 1.00 0.00 N ATOM 367 CA ALA A 27 4.691 16.543 4.868 1.00 0.00 C ATOM 368 C ALA A 27 4.692 15.805 3.528 1.00 0.00 C ATOM 369 O ALA A 27 5.467 16.137 2.633 1.00 0.00 O ATOM 370 CB ALA A 27 5.621 15.892 5.893 1.00 0.00 C ATOM 0 H ALA A 27 3.206 16.067 6.269 1.00 0.00 H new ATOM 0 HA ALA A 27 5.060 17.553 4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.636 15.865 5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.607 16.471 6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.284 14.876 6.097 1.00 0.00 H new ATOM 376 N GLY A 28 3.814 14.817 3.433 1.00 0.00 N ATOM 377 CA GLY A 28 3.704 14.029 2.217 1.00 0.00 C ATOM 378 C GLY A 28 4.398 12.675 2.376 1.00 0.00 C ATOM 379 O GLY A 28 5.264 12.515 3.235 1.00 0.00 O ATOM 0 H GLY A 28 3.173 14.544 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.653 13.876 1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.149 14.574 1.385 1.00 0.00 H new ATOM 383 N LEU A 29 3.992 11.735 1.535 1.00 0.00 N ATOM 384 CA LEU A 29 4.564 10.400 1.572 1.00 0.00 C ATOM 385 C LEU A 29 5.857 10.382 0.754 1.00 0.00 C ATOM 386 O LEU A 29 6.879 9.872 1.212 1.00 0.00 O ATOM 387 CB LEU A 29 3.535 9.363 1.119 1.00 0.00 C ATOM 388 CG LEU A 29 2.083 9.643 1.512 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.128 8.678 0.807 1.00 0.00 C ATOM 390 CD2 LEU A 29 1.911 9.611 3.032 1.00 0.00 C ATOM 0 H LEU A 29 3.274 11.872 0.824 1.00 0.00 H new ATOM 0 HA LEU A 29 4.828 10.127 2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.587 9.279 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.821 8.394 1.528 1.00 0.00 H new ATOM 0 HG LEU A 29 1.827 10.649 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.103 8.899 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.226 8.793 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.374 7.654 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.870 9.813 3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.192 8.628 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.548 10.370 3.486 1.00 0.00 H new ATOM 402 N GLY A 30 5.771 10.943 -0.443 1.00 0.00 N ATOM 403 CA GLY A 30 6.921 10.998 -1.329 1.00 0.00 C ATOM 404 C GLY A 30 6.606 10.345 -2.677 1.00 0.00 C ATOM 405 O GLY A 30 7.423 10.385 -3.595 1.00 0.00 O ATOM 0 H GLY A 30 4.922 11.364 -0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.216 12.036 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.767 10.492 -0.864 1.00 0.00 H new ATOM 409 N PHE A 31 5.420 9.759 -2.752 1.00 0.00 N ATOM 410 CA PHE A 31 4.987 9.099 -3.971 1.00 0.00 C ATOM 411 C PHE A 31 3.526 9.426 -4.283 1.00 0.00 C ATOM 412 O PHE A 31 2.812 9.963 -3.437 1.00 0.00 O ATOM 413 CB PHE A 31 5.122 7.593 -3.737 1.00 0.00 C ATOM 414 CG PHE A 31 4.013 6.997 -2.867 1.00 0.00 C ATOM 415 CD1 PHE A 31 3.974 7.268 -1.535 1.00 0.00 C ATOM 416 CD2 PHE A 31 3.066 6.198 -3.426 1.00 0.00 C ATOM 417 CE1 PHE A 31 2.945 6.715 -0.728 1.00 0.00 C ATOM 418 CE2 PHE A 31 2.036 5.645 -2.620 1.00 0.00 C ATOM 419 CZ PHE A 31 1.998 5.915 -1.287 1.00 0.00 C ATOM 0 H PHE A 31 4.745 9.728 -1.988 1.00 0.00 H new ATOM 0 HA PHE A 31 5.594 9.436 -4.812 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.126 7.085 -4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.085 7.393 -3.267 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.726 7.904 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.097 5.984 -4.484 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.914 6.930 0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.283 5.011 -3.065 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.216 5.494 -0.673 1.00 0.00 H new ATOM 429 N SER A 32 3.123 9.088 -5.500 1.00 0.00 N ATOM 430 CA SER A 32 1.760 9.339 -5.933 1.00 0.00 C ATOM 431 C SER A 32 1.092 8.026 -6.348 1.00 0.00 C ATOM 432 O SER A 32 1.771 7.026 -6.577 1.00 0.00 O ATOM 433 CB SER A 32 1.725 10.340 -7.090 1.00 0.00 C ATOM 434 OG SER A 32 0.482 10.309 -7.786 1.00 0.00 O ATOM 0 H SER A 32 3.717 8.642 -6.199 1.00 0.00 H new ATOM 0 HA SER A 32 1.210 9.771 -5.097 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.900 11.345 -6.705 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.535 10.119 -7.785 1.00 0.00 H new ATOM 0 HG SER A 32 0.499 10.963 -8.516 1.00 0.00 H new ATOM 440 N LEU A 33 -0.229 8.072 -6.431 1.00 0.00 N ATOM 441 CA LEU A 33 -0.996 6.898 -6.814 1.00 0.00 C ATOM 442 C LEU A 33 -1.217 6.911 -8.328 1.00 0.00 C ATOM 443 O LEU A 33 -1.128 7.960 -8.963 1.00 0.00 O ATOM 444 CB LEU A 33 -2.291 6.817 -6.004 1.00 0.00 C ATOM 445 CG LEU A 33 -2.128 6.719 -4.486 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.346 6.053 -3.844 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.825 6.005 -4.119 1.00 0.00 C ATOM 0 H LEU A 33 -0.788 8.903 -6.240 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.443 5.988 -6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.892 7.698 -6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.856 5.950 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.066 7.730 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.203 5.996 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.238 6.640 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.466 5.047 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.734 5.949 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.832 4.998 -4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.021 6.559 -4.526 1.00 0.00 H new ATOM 459 N ALA A 34 -1.502 5.732 -8.862 1.00 0.00 N ATOM 460 CA ALA A 34 -1.737 5.594 -10.289 1.00 0.00 C ATOM 461 C ALA A 34 -2.818 4.537 -10.523 1.00 0.00 C ATOM 462 O ALA A 34 -2.958 3.602 -9.737 1.00 0.00 O ATOM 463 CB ALA A 34 -0.423 5.249 -10.992 1.00 0.00 C ATOM 0 H ALA A 34 -1.575 4.864 -8.332 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.096 6.533 -10.711 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.599 5.145 -12.063 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.302 6.044 -10.819 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.034 4.311 -10.596 1.00 0.00 H new ATOM 469 N GLY A 35 -3.556 4.722 -11.609 1.00 0.00 N ATOM 470 CA GLY A 35 -4.621 3.797 -11.956 1.00 0.00 C ATOM 471 C GLY A 35 -5.891 4.098 -11.159 1.00 0.00 C ATOM 472 O GLY A 35 -5.896 4.979 -10.301 1.00 0.00 O ATOM 0 H GLY A 35 -3.437 5.499 -12.259 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.833 3.865 -13.023 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.298 2.775 -11.759 1.00 0.00 H new ATOM 476 N GLY A 36 -6.939 3.349 -11.471 1.00 0.00 N ATOM 477 CA GLY A 36 -8.212 3.524 -10.794 1.00 0.00 C ATOM 478 C GLY A 36 -9.213 2.449 -11.222 1.00 0.00 C ATOM 479 O GLY A 36 -8.837 1.458 -11.846 1.00 0.00 O ATOM 0 H GLY A 36 -6.932 2.620 -12.184 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.063 3.479 -9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.615 4.511 -11.019 1.00 0.00 H new ATOM 483 N ALA A 37 -10.470 2.682 -10.871 1.00 0.00 N ATOM 484 CA ALA A 37 -11.528 1.746 -11.211 1.00 0.00 C ATOM 485 C ALA A 37 -11.999 2.014 -12.642 1.00 0.00 C ATOM 486 O ALA A 37 -12.166 1.083 -13.428 1.00 0.00 O ATOM 487 CB ALA A 37 -12.662 1.866 -10.192 1.00 0.00 C ATOM 0 H ALA A 37 -10.779 3.506 -10.355 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.161 0.720 -11.171 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.456 1.164 -10.447 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.282 1.638 -9.196 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.058 2.882 -10.206 1.00 0.00 H new ATOM 493 N ASP A 38 -12.199 3.290 -12.936 1.00 0.00 N ATOM 494 CA ASP A 38 -12.647 3.691 -14.259 1.00 0.00 C ATOM 495 C ASP A 38 -11.497 3.528 -15.254 1.00 0.00 C ATOM 496 O ASP A 38 -11.725 3.396 -16.456 1.00 0.00 O ATOM 497 CB ASP A 38 -13.079 5.159 -14.272 1.00 0.00 C ATOM 498 CG ASP A 38 -13.659 5.651 -15.600 1.00 0.00 C ATOM 499 OD1 ASP A 38 -12.844 5.942 -16.502 1.00 0.00 O ATOM 500 OD2 ASP A 38 -14.904 5.724 -15.682 1.00 0.00 O ATOM 0 H ASP A 38 -12.059 4.060 -12.281 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.495 3.063 -14.533 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.823 5.310 -13.490 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.218 5.778 -14.017 1.00 0.00 H new ATOM 505 N LEU A 39 -10.286 3.541 -14.717 1.00 0.00 N ATOM 506 CA LEU A 39 -9.099 3.396 -15.543 1.00 0.00 C ATOM 507 C LEU A 39 -8.900 1.919 -15.888 1.00 0.00 C ATOM 508 O LEU A 39 -9.667 1.065 -15.443 1.00 0.00 O ATOM 509 CB LEU A 39 -7.889 4.036 -14.860 1.00 0.00 C ATOM 510 CG LEU A 39 -7.889 5.565 -14.791 1.00 0.00 C ATOM 511 CD1 LEU A 39 -9.122 6.080 -14.047 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.589 6.086 -14.175 1.00 0.00 C ATOM 0 H LEU A 39 -10.101 3.650 -13.720 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.224 3.930 -16.485 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.822 3.646 -13.844 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.989 3.716 -15.385 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.941 5.953 -15.808 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.097 7.169 -14.012 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.023 5.754 -14.566 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.126 5.685 -13.031 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.615 7.175 -14.138 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.481 5.691 -13.165 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.744 5.764 -14.783 1.00 0.00 H new ATOM 524 N GLU A 40 -7.867 1.662 -16.676 1.00 0.00 N ATOM 525 CA GLU A 40 -7.558 0.302 -17.085 1.00 0.00 C ATOM 526 C GLU A 40 -7.017 -0.499 -15.899 1.00 0.00 C ATOM 527 O GLU A 40 -7.361 -1.667 -15.726 1.00 0.00 O ATOM 528 CB GLU A 40 -6.568 0.292 -18.252 1.00 0.00 C ATOM 529 CG GLU A 40 -5.225 0.896 -17.836 1.00 0.00 C ATOM 530 CD GLU A 40 -4.353 1.187 -19.059 1.00 0.00 C ATOM 531 OE1 GLU A 40 -4.515 2.290 -19.623 1.00 0.00 O ATOM 532 OE2 GLU A 40 -3.543 0.298 -19.402 1.00 0.00 O ATOM 0 H GLU A 40 -7.233 2.372 -17.042 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.478 -0.172 -17.428 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.419 -0.731 -18.599 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.981 0.855 -19.089 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.394 1.817 -17.278 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.704 0.209 -17.169 1.00 0.00 H new ATOM 539 N ASN A 41 -6.178 0.161 -15.114 1.00 0.00 N ATOM 540 CA ASN A 41 -5.585 -0.475 -13.950 1.00 0.00 C ATOM 541 C ASN A 41 -6.566 -0.398 -12.778 1.00 0.00 C ATOM 542 O ASN A 41 -6.606 0.601 -12.062 1.00 0.00 O ATOM 543 CB ASN A 41 -4.294 0.232 -13.533 1.00 0.00 C ATOM 544 CG ASN A 41 -3.221 0.097 -14.615 1.00 0.00 C ATOM 545 OD1 ASN A 41 -2.937 -0.980 -15.113 1.00 0.00 O ATOM 546 ND2 ASN A 41 -2.643 1.247 -14.950 1.00 0.00 N ATOM 0 H ASN A 41 -5.895 1.130 -15.261 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.361 -1.510 -14.208 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.497 1.287 -13.346 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.928 -0.193 -12.598 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.914 1.263 -15.664 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.928 2.113 -14.493 1.00 0.00 H new ATOM 553 N LYS A 42 -7.333 -1.467 -12.618 1.00 0.00 N ATOM 554 CA LYS A 42 -8.311 -1.533 -11.546 1.00 0.00 C ATOM 555 C LYS A 42 -7.607 -1.307 -10.206 1.00 0.00 C ATOM 556 O LYS A 42 -8.088 -0.544 -9.369 1.00 0.00 O ATOM 557 CB LYS A 42 -9.095 -2.845 -11.615 1.00 0.00 C ATOM 558 CG LYS A 42 -9.937 -2.913 -12.891 1.00 0.00 C ATOM 559 CD LYS A 42 -11.161 -2.001 -12.789 1.00 0.00 C ATOM 560 CE LYS A 42 -12.313 -2.708 -12.073 1.00 0.00 C ATOM 561 NZ LYS A 42 -12.928 -3.724 -12.956 1.00 0.00 N ATOM 0 H LYS A 42 -7.296 -2.294 -13.213 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.051 -0.741 -11.656 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.404 -3.688 -11.585 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.742 -2.932 -10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.330 -2.619 -13.747 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.258 -3.940 -13.065 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.897 -1.091 -12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.479 -1.700 -13.787 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.946 -3.183 -11.163 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.064 -1.978 -11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.870 -3.974 -12.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.018 -3.339 -13.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.329 -4.574 -12.978 1.00 0.00 H new ATOM 575 N VAL A 43 -6.480 -1.985 -10.044 1.00 0.00 N ATOM 576 CA VAL A 43 -5.706 -1.868 -8.820 1.00 0.00 C ATOM 577 C VAL A 43 -4.741 -0.687 -8.943 1.00 0.00 C ATOM 578 O VAL A 43 -3.879 -0.674 -9.820 1.00 0.00 O ATOM 579 CB VAL A 43 -4.997 -3.191 -8.521 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.040 -3.568 -9.654 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.262 -3.128 -7.180 1.00 0.00 C ATOM 0 H VAL A 43 -6.085 -2.617 -10.740 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.360 -1.666 -7.972 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.756 -3.970 -8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.549 -4.512 -9.417 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.600 -3.674 -10.583 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.288 -2.787 -9.770 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.767 -4.081 -6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.518 -2.332 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.977 -2.927 -6.382 1.00 0.00 H new ATOM 591 N ILE A 44 -4.919 0.276 -8.050 1.00 0.00 N ATOM 592 CA ILE A 44 -4.074 1.459 -8.048 1.00 0.00 C ATOM 593 C ILE A 44 -2.618 1.040 -7.835 1.00 0.00 C ATOM 594 O ILE A 44 -2.338 0.128 -7.058 1.00 0.00 O ATOM 595 CB ILE A 44 -4.579 2.475 -7.021 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.825 3.200 -7.533 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.469 3.451 -6.626 1.00 0.00 C ATOM 598 CD1 ILE A 44 -7.021 2.248 -7.609 1.00 0.00 C ATOM 0 H ILE A 44 -5.635 0.261 -7.324 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.122 1.964 -9.013 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.870 1.935 -6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.061 4.035 -6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.626 3.620 -8.519 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.853 4.163 -5.895 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.636 2.898 -6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.125 3.988 -7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.894 2.789 -7.976 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.790 1.428 -8.288 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.232 1.849 -6.617 1.00 0.00 H new ATOM 610 N THR A 45 -1.730 1.727 -8.538 1.00 0.00 N ATOM 611 CA THR A 45 -0.310 1.437 -8.436 1.00 0.00 C ATOM 612 C THR A 45 0.474 2.715 -8.127 1.00 0.00 C ATOM 613 O THR A 45 -0.090 3.808 -8.125 1.00 0.00 O ATOM 614 CB THR A 45 0.129 0.755 -9.733 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.577 1.459 -10.752 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.391 -0.680 -9.844 1.00 0.00 C ATOM 0 H THR A 45 -1.966 2.483 -9.180 1.00 0.00 H new ATOM 0 HA THR A 45 -0.104 0.757 -7.609 1.00 0.00 H new ATOM 0 HB THR A 45 1.217 0.753 -9.792 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.349 1.082 -11.628 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.051 -1.119 -10.782 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.012 -1.270 -9.009 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.481 -0.675 -9.819 1.00 0.00 H new ATOM 624 N VAL A 46 1.762 2.534 -7.873 1.00 0.00 N ATOM 625 CA VAL A 46 2.628 3.659 -7.564 1.00 0.00 C ATOM 626 C VAL A 46 2.966 4.407 -8.855 1.00 0.00 C ATOM 627 O VAL A 46 3.771 3.937 -9.657 1.00 0.00 O ATOM 628 CB VAL A 46 3.869 3.172 -6.813 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.766 4.346 -6.416 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.479 2.342 -5.589 1.00 0.00 C ATOM 0 H VAL A 46 2.226 1.626 -7.875 1.00 0.00 H new ATOM 0 HA VAL A 46 2.120 4.363 -6.905 1.00 0.00 H new ATOM 0 HB VAL A 46 4.437 2.530 -7.486 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.641 3.972 -5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.086 4.878 -7.312 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.211 5.026 -5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.380 2.008 -5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.878 2.951 -4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.901 1.475 -5.907 1.00 0.00 H new ATOM 640 N HIS A 47 2.333 5.560 -9.015 1.00 0.00 N ATOM 641 CA HIS A 47 2.556 6.379 -10.195 1.00 0.00 C ATOM 642 C HIS A 47 4.033 6.768 -10.277 1.00 0.00 C ATOM 643 O HIS A 47 4.719 6.417 -11.237 1.00 0.00 O ATOM 644 CB HIS A 47 1.623 7.591 -10.200 1.00 0.00 C ATOM 645 CG HIS A 47 1.762 8.468 -11.421 1.00 0.00 C ATOM 646 ND1 HIS A 47 1.202 9.731 -11.504 1.00 0.00 N ATOM 647 CD2 HIS A 47 2.402 8.252 -12.606 1.00 0.00 C ATOM 648 CE1 HIS A 47 1.498 10.242 -12.690 1.00 0.00 C ATOM 649 NE2 HIS A 47 2.241 9.324 -13.371 1.00 0.00 N ATOM 0 H HIS A 47 1.666 5.947 -8.347 1.00 0.00 H new ATOM 0 HA HIS A 47 2.316 5.806 -11.090 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.592 7.243 -10.130 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.818 8.190 -9.311 1.00 0.00 H new ATOM 0 HD1 HIS A 47 0.655 10.190 -10.776 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.947 7.360 -12.876 1.00 0.00 H new ATOM 0 HE1 HIS A 47 1.203 11.215 -13.054 1.00 0.00 H new ATOM 657 N ARG A 48 4.481 7.488 -9.259 1.00 0.00 N ATOM 658 CA ARG A 48 5.864 7.928 -9.204 1.00 0.00 C ATOM 659 C ARG A 48 6.319 8.069 -7.750 1.00 0.00 C ATOM 660 O ARG A 48 5.507 8.329 -6.864 1.00 0.00 O ATOM 661 CB ARG A 48 6.044 9.269 -9.920 1.00 0.00 C ATOM 662 CG ARG A 48 6.854 9.099 -11.206 1.00 0.00 C ATOM 663 CD ARG A 48 5.943 9.123 -12.435 1.00 0.00 C ATOM 664 NE ARG A 48 6.746 9.358 -13.656 1.00 0.00 N ATOM 665 CZ ARG A 48 6.222 9.637 -14.858 1.00 0.00 C ATOM 666 NH1 ARG A 48 4.893 9.718 -15.007 1.00 0.00 N ATOM 667 NH2 ARG A 48 7.028 9.835 -15.910 1.00 0.00 N ATOM 0 H ARG A 48 3.910 7.778 -8.465 1.00 0.00 H new ATOM 0 HA ARG A 48 6.472 7.176 -9.707 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.068 9.694 -10.154 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.548 9.974 -9.259 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.594 9.896 -11.282 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.402 8.157 -11.173 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.407 8.178 -12.519 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.193 9.906 -12.327 1.00 0.00 H new ATOM 0 HE ARG A 48 7.762 9.304 -13.578 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.280 9.567 -14.206 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.494 9.930 -15.922 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.040 9.773 -15.796 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.630 10.047 -16.825 1.00 0.00 H new ATOM 681 N VAL A 49 7.617 7.891 -7.550 1.00 0.00 N ATOM 682 CA VAL A 49 8.190 7.994 -6.219 1.00 0.00 C ATOM 683 C VAL A 49 9.240 9.107 -6.205 1.00 0.00 C ATOM 684 O VAL A 49 10.349 8.925 -6.705 1.00 0.00 O ATOM 685 CB VAL A 49 8.750 6.639 -5.783 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.005 6.610 -4.275 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.819 5.500 -6.203 1.00 0.00 C ATOM 0 H VAL A 49 8.288 7.676 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 49 7.422 8.262 -5.493 1.00 0.00 H new ATOM 0 HB VAL A 49 9.706 6.494 -6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.403 5.635 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.724 7.386 -4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.070 6.788 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.241 4.548 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.842 5.639 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.710 5.500 -7.288 1.00 0.00 H new ATOM 697 N PHE A 50 8.853 10.236 -5.629 1.00 0.00 N ATOM 698 CA PHE A 50 9.747 11.378 -5.544 1.00 0.00 C ATOM 699 C PHE A 50 11.145 10.947 -5.096 1.00 0.00 C ATOM 700 O PHE A 50 11.301 9.923 -4.433 1.00 0.00 O ATOM 701 CB PHE A 50 9.160 12.329 -4.499 1.00 0.00 C ATOM 702 CG PHE A 50 7.695 12.697 -4.746 1.00 0.00 C ATOM 703 CD1 PHE A 50 7.107 12.387 -5.932 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.982 13.334 -3.779 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.748 12.729 -6.161 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.623 13.676 -4.008 1.00 0.00 C ATOM 707 CZ PHE A 50 5.034 13.366 -5.194 1.00 0.00 C ATOM 0 H PHE A 50 7.932 10.384 -5.217 1.00 0.00 H new ATOM 0 HA PHE A 50 9.838 11.853 -6.521 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.248 11.869 -3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.755 13.242 -4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.673 11.881 -6.700 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.449 13.580 -2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.281 12.483 -7.103 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.057 14.182 -3.240 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.000 13.625 -5.368 1.00 0.00 H new ATOM 717 N PRO A 51 12.153 11.773 -5.486 1.00 0.00 N ATOM 718 CA PRO A 51 13.533 11.488 -5.132 1.00 0.00 C ATOM 719 C PRO A 51 13.798 11.805 -3.659 1.00 0.00 C ATOM 720 O PRO A 51 14.649 11.179 -3.029 1.00 0.00 O ATOM 721 CB PRO A 51 14.365 12.336 -6.081 1.00 0.00 C ATOM 722 CG PRO A 51 13.428 13.407 -6.613 1.00 0.00 C ATOM 723 CD PRO A 51 12.006 12.995 -6.272 1.00 0.00 C ATOM 0 HA PRO A 51 13.785 10.433 -5.236 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.214 12.782 -5.564 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.768 11.731 -6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.662 14.374 -6.168 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.546 13.515 -7.691 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.494 13.772 -5.704 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.418 12.818 -7.173 1.00 0.00 H new ATOM 731 N ASN A 52 13.053 12.777 -3.153 1.00 0.00 N ATOM 732 CA ASN A 52 13.196 13.184 -1.766 1.00 0.00 C ATOM 733 C ASN A 52 11.895 12.892 -1.015 1.00 0.00 C ATOM 734 O ASN A 52 11.034 13.762 -0.895 1.00 0.00 O ATOM 735 CB ASN A 52 13.477 14.684 -1.658 1.00 0.00 C ATOM 736 CG ASN A 52 14.892 15.013 -2.136 1.00 0.00 C ATOM 737 OD1 ASN A 52 15.874 14.445 -1.688 1.00 0.00 O ATOM 738 ND2 ASN A 52 14.942 15.960 -3.069 1.00 0.00 N ATOM 0 H ASN A 52 12.349 13.294 -3.679 1.00 0.00 H new ATOM 0 HA ASN A 52 14.030 12.629 -1.337 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.751 15.237 -2.253 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.354 15.007 -0.624 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.841 16.251 -3.453 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.081 16.395 -3.400 1.00 0.00 H new ATOM 745 N GLY A 53 11.793 11.663 -0.530 1.00 0.00 N ATOM 746 CA GLY A 53 10.611 11.245 0.205 1.00 0.00 C ATOM 747 C GLY A 53 10.913 10.028 1.082 1.00 0.00 C ATOM 748 O GLY A 53 12.074 9.677 1.285 1.00 0.00 O ATOM 0 H GLY A 53 12.509 10.944 -0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.255 12.067 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.810 11.004 -0.494 1.00 0.00 H new ATOM 752 N LEU A 54 9.847 9.418 1.579 1.00 0.00 N ATOM 753 CA LEU A 54 9.984 8.248 2.430 1.00 0.00 C ATOM 754 C LEU A 54 9.847 6.985 1.578 1.00 0.00 C ATOM 755 O LEU A 54 10.717 6.116 1.606 1.00 0.00 O ATOM 756 CB LEU A 54 8.994 8.314 3.594 1.00 0.00 C ATOM 757 CG LEU A 54 8.805 9.689 4.237 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.332 9.944 4.565 1.00 0.00 C ATOM 759 CD2 LEU A 54 9.702 9.848 5.467 1.00 0.00 C ATOM 0 H LEU A 54 8.885 9.712 1.409 1.00 0.00 H new ATOM 0 HA LEU A 54 10.974 8.221 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.024 7.964 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.323 7.617 4.365 1.00 0.00 H new ATOM 0 HG LEU A 54 9.110 10.447 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.226 10.928 5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.743 9.903 3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.977 9.182 5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.548 10.834 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.452 9.082 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.746 9.741 5.172 1.00 0.00 H new ATOM 771 N ALA A 55 8.749 6.923 0.840 1.00 0.00 N ATOM 772 CA ALA A 55 8.488 5.780 -0.019 1.00 0.00 C ATOM 773 C ALA A 55 9.783 5.370 -0.723 1.00 0.00 C ATOM 774 O ALA A 55 9.970 4.200 -1.053 1.00 0.00 O ATOM 775 CB ALA A 55 7.372 6.128 -1.007 1.00 0.00 C ATOM 0 H ALA A 55 8.029 7.646 0.819 1.00 0.00 H new ATOM 0 HA ALA A 55 8.149 4.927 0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.176 5.271 -1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.466 6.383 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.678 6.978 -1.617 1.00 0.00 H new ATOM 781 N SER A 56 10.643 6.356 -0.933 1.00 0.00 N ATOM 782 CA SER A 56 11.914 6.113 -1.592 1.00 0.00 C ATOM 783 C SER A 56 12.956 5.657 -0.567 1.00 0.00 C ATOM 784 O SER A 56 13.686 4.697 -0.804 1.00 0.00 O ATOM 785 CB SER A 56 12.403 7.363 -2.325 1.00 0.00 C ATOM 786 OG SER A 56 13.820 7.503 -2.257 1.00 0.00 O ATOM 0 H SER A 56 10.484 7.325 -0.658 1.00 0.00 H new ATOM 0 HA SER A 56 11.770 5.325 -2.331 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.093 7.315 -3.369 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.931 8.245 -1.892 1.00 0.00 H new ATOM 0 HG SER A 56 14.092 8.312 -2.738 1.00 0.00 H new ATOM 792 N GLN A 57 12.990 6.369 0.550 1.00 0.00 N ATOM 793 CA GLN A 57 13.930 6.050 1.612 1.00 0.00 C ATOM 794 C GLN A 57 13.722 4.611 2.090 1.00 0.00 C ATOM 795 O GLN A 57 14.686 3.867 2.266 1.00 0.00 O ATOM 796 CB GLN A 57 13.801 7.037 2.773 1.00 0.00 C ATOM 797 CG GLN A 57 14.753 8.221 2.594 1.00 0.00 C ATOM 798 CD GLN A 57 15.471 8.551 3.904 1.00 0.00 C ATOM 799 OE1 GLN A 57 14.957 9.243 4.767 1.00 0.00 O ATOM 800 NE2 GLN A 57 16.685 8.017 4.005 1.00 0.00 N ATOM 0 H GLN A 57 12.382 7.165 0.743 1.00 0.00 H new ATOM 0 HA GLN A 57 14.941 6.138 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.774 7.398 2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.019 6.529 3.713 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.486 7.989 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.195 9.092 2.252 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.056 7.447 3.245 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.245 8.178 4.842 1.00 0.00 H new ATOM 809 N GLU A 58 12.459 4.263 2.286 1.00 0.00 N ATOM 810 CA GLU A 58 12.113 2.927 2.740 1.00 0.00 C ATOM 811 C GLU A 58 12.551 1.886 1.708 1.00 0.00 C ATOM 812 O GLU A 58 13.343 0.997 2.015 1.00 0.00 O ATOM 813 CB GLU A 58 10.615 2.817 3.029 1.00 0.00 C ATOM 814 CG GLU A 58 10.364 2.124 4.370 1.00 0.00 C ATOM 815 CD GLU A 58 10.265 0.608 4.193 1.00 0.00 C ATOM 816 OE1 GLU A 58 11.252 0.029 3.691 1.00 0.00 O ATOM 817 OE2 GLU A 58 9.204 0.061 4.565 1.00 0.00 O ATOM 0 H GLU A 58 11.663 4.883 2.139 1.00 0.00 H new ATOM 0 HA GLU A 58 12.644 2.732 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.169 3.812 3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.127 2.259 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.172 2.361 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.443 2.503 4.813 1.00 0.00 H new ATOM 824 N GLY A 59 12.015 2.030 0.505 1.00 0.00 N ATOM 825 CA GLY A 59 12.340 1.113 -0.574 1.00 0.00 C ATOM 826 C GLY A 59 11.232 0.074 -0.763 1.00 0.00 C ATOM 827 O GLY A 59 11.425 -0.926 -1.454 1.00 0.00 O ATOM 0 H GLY A 59 11.358 2.768 0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.482 1.671 -1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.282 0.610 -0.357 1.00 0.00 H new ATOM 831 N THR A 60 10.097 0.346 -0.137 1.00 0.00 N ATOM 832 CA THR A 60 8.959 -0.553 -0.228 1.00 0.00 C ATOM 833 C THR A 60 8.051 -0.149 -1.391 1.00 0.00 C ATOM 834 O THR A 60 7.667 -0.988 -2.204 1.00 0.00 O ATOM 835 CB THR A 60 8.247 -0.552 1.126 1.00 0.00 C ATOM 836 OG1 THR A 60 8.869 -1.614 1.846 1.00 0.00 O ATOM 837 CG2 THR A 60 6.783 -0.983 1.019 1.00 0.00 C ATOM 0 H THR A 60 9.941 1.176 0.435 1.00 0.00 H new ATOM 0 HA THR A 60 9.277 -1.573 -0.444 1.00 0.00 H new ATOM 0 HB THR A 60 8.301 0.445 1.563 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.531 -1.628 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.325 -0.965 2.008 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.250 -0.299 0.359 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.730 -1.993 0.613 1.00 0.00 H new ATOM 845 N ILE A 61 7.735 1.137 -1.434 1.00 0.00 N ATOM 846 CA ILE A 61 6.880 1.663 -2.485 1.00 0.00 C ATOM 847 C ILE A 61 7.748 2.163 -3.641 1.00 0.00 C ATOM 848 O ILE A 61 8.281 3.270 -3.588 1.00 0.00 O ATOM 849 CB ILE A 61 5.933 2.725 -1.923 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.484 2.366 -0.505 1.00 0.00 C ATOM 851 CG2 ILE A 61 4.745 2.951 -2.860 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.676 3.505 0.120 1.00 0.00 C ATOM 0 H ILE A 61 8.056 1.830 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 61 6.240 0.877 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 61 6.477 3.667 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.881 1.459 -0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.356 2.152 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.087 3.710 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.107 3.285 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.193 2.019 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.369 3.223 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.290 4.404 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.792 3.700 -0.487 1.00 0.00 H new ATOM 864 N GLN A 62 7.864 1.322 -4.658 1.00 0.00 N ATOM 865 CA GLN A 62 8.659 1.664 -5.825 1.00 0.00 C ATOM 866 C GLN A 62 7.773 1.730 -7.070 1.00 0.00 C ATOM 867 O GLN A 62 7.052 0.781 -7.375 1.00 0.00 O ATOM 868 CB GLN A 62 9.804 0.668 -6.020 1.00 0.00 C ATOM 869 CG GLN A 62 10.919 0.909 -5.000 1.00 0.00 C ATOM 870 CD GLN A 62 11.885 -0.277 -4.954 1.00 0.00 C ATOM 871 OE1 GLN A 62 12.449 -0.469 -3.765 1.00 0.00 O flip ATOM 872 NE2 GLN A 62 12.104 -0.971 -5.933 1.00 0.00 N flip ATOM 0 H GLN A 62 7.421 0.404 -4.698 1.00 0.00 H new ATOM 0 HA GLN A 62 9.100 2.648 -5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.427 -0.350 -5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.204 0.761 -7.030 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.464 1.817 -5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.486 1.068 -4.013 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.637 -0.768 -6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.754 -1.754 -5.868 1.00 0.00 H new ATOM 881 N LYS A 63 7.854 2.861 -7.757 1.00 0.00 N ATOM 882 CA LYS A 63 7.068 3.063 -8.962 1.00 0.00 C ATOM 883 C LYS A 63 7.088 1.783 -9.799 1.00 0.00 C ATOM 884 O LYS A 63 8.111 1.439 -10.390 1.00 0.00 O ATOM 885 CB LYS A 63 7.556 4.300 -9.718 1.00 0.00 C ATOM 886 CG LYS A 63 7.295 4.164 -11.219 1.00 0.00 C ATOM 887 CD LYS A 63 7.888 5.346 -11.989 1.00 0.00 C ATOM 888 CE LYS A 63 9.309 5.035 -12.462 1.00 0.00 C ATOM 889 NZ LYS A 63 9.941 6.245 -13.035 1.00 0.00 N ATOM 0 H LYS A 63 8.452 3.647 -7.501 1.00 0.00 H new ATOM 0 HA LYS A 63 6.027 3.262 -8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.050 5.187 -9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.622 4.441 -9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.729 3.233 -11.584 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.222 4.108 -11.401 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.258 5.578 -12.848 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.898 6.231 -11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.905 4.667 -11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.285 4.242 -13.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.905 6.016 -13.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.381 6.579 -13.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.982 6.991 -12.312 1.00 0.00 H new ATOM 903 N GLY A 64 5.946 1.112 -9.824 1.00 0.00 N ATOM 904 CA GLY A 64 5.819 -0.123 -10.579 1.00 0.00 C ATOM 905 C GLY A 64 5.225 -1.236 -9.715 1.00 0.00 C ATOM 906 O GLY A 64 4.838 -2.285 -10.227 1.00 0.00 O ATOM 0 H GLY A 64 5.100 1.400 -9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.185 0.043 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.797 -0.429 -10.950 1.00 0.00 H new ATOM 910 N ASN A 65 5.173 -0.971 -8.418 1.00 0.00 N ATOM 911 CA ASN A 65 4.633 -1.937 -7.477 1.00 0.00 C ATOM 912 C ASN A 65 3.104 -1.889 -7.524 1.00 0.00 C ATOM 913 O ASN A 65 2.527 -1.151 -8.321 1.00 0.00 O ATOM 914 CB ASN A 65 5.072 -1.618 -6.046 1.00 0.00 C ATOM 915 CG ASN A 65 6.581 -1.806 -5.881 1.00 0.00 C ATOM 916 OD1 ASN A 65 7.328 -0.869 -5.652 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.987 -3.066 -6.010 1.00 0.00 N ATOM 0 H ASN A 65 5.496 -0.100 -7.996 1.00 0.00 H new ATOM 0 HA ASN A 65 5.004 -2.923 -7.757 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.801 -0.592 -5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.543 -2.265 -5.347 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.977 -3.295 -5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.309 -3.803 -6.202 1.00 0.00 H new ATOM 924 N GLU A 66 2.492 -2.686 -6.661 1.00 0.00 N ATOM 925 CA GLU A 66 1.042 -2.744 -6.594 1.00 0.00 C ATOM 926 C GLU A 66 0.552 -2.221 -5.242 1.00 0.00 C ATOM 927 O GLU A 66 1.006 -2.677 -4.194 1.00 0.00 O ATOM 928 CB GLU A 66 0.538 -4.166 -6.847 1.00 0.00 C ATOM 929 CG GLU A 66 -0.902 -4.333 -6.356 1.00 0.00 C ATOM 930 CD GLU A 66 -1.722 -5.173 -7.338 1.00 0.00 C ATOM 931 OE1 GLU A 66 -1.469 -5.033 -8.554 1.00 0.00 O ATOM 932 OE2 GLU A 66 -2.582 -5.937 -6.849 1.00 0.00 O ATOM 0 H GLU A 66 2.974 -3.297 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 66 0.636 -2.105 -7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.591 -4.390 -7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.185 -4.881 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.903 -4.809 -5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.365 -3.354 -6.235 1.00 0.00 H new ATOM 939 N VAL A 67 -0.370 -1.271 -5.310 1.00 0.00 N ATOM 940 CA VAL A 67 -0.927 -0.681 -4.105 1.00 0.00 C ATOM 941 C VAL A 67 -2.236 -1.390 -3.753 1.00 0.00 C ATOM 942 O VAL A 67 -3.191 -1.357 -4.528 1.00 0.00 O ATOM 943 CB VAL A 67 -1.095 0.828 -4.291 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.660 1.477 -3.025 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.227 1.481 -4.698 1.00 0.00 C ATOM 0 H VAL A 67 -0.745 -0.896 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.248 -0.817 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.810 0.988 -5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.770 2.550 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.633 1.043 -2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.980 1.301 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.079 2.554 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.973 1.306 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.572 1.050 -5.638 1.00 0.00 H new ATOM 955 N LEU A 68 -2.238 -2.015 -2.585 1.00 0.00 N ATOM 956 CA LEU A 68 -3.415 -2.731 -2.122 1.00 0.00 C ATOM 957 C LEU A 68 -4.330 -1.765 -1.366 1.00 0.00 C ATOM 958 O LEU A 68 -5.532 -1.716 -1.620 1.00 0.00 O ATOM 959 CB LEU A 68 -3.008 -3.958 -1.304 1.00 0.00 C ATOM 960 CG LEU A 68 -1.881 -4.811 -1.891 1.00 0.00 C ATOM 961 CD1 LEU A 68 -1.094 -5.517 -0.785 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.423 -5.798 -2.927 1.00 0.00 C ATOM 0 H LEU A 68 -1.444 -2.041 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.985 -3.115 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.705 -3.624 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.886 -4.591 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.186 -4.149 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.299 -6.116 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.658 -4.774 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.763 -6.165 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.602 -6.392 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.151 -6.458 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.903 -5.248 -3.737 1.00 0.00 H new ATOM 974 N SER A 69 -3.725 -1.020 -0.452 1.00 0.00 N ATOM 975 CA SER A 69 -4.470 -0.058 0.342 1.00 0.00 C ATOM 976 C SER A 69 -3.527 1.024 0.873 1.00 0.00 C ATOM 977 O SER A 69 -2.308 0.863 0.836 1.00 0.00 O ATOM 978 CB SER A 69 -5.196 -0.745 1.500 1.00 0.00 C ATOM 979 OG SER A 69 -5.782 -1.982 1.104 1.00 0.00 O ATOM 0 H SER A 69 -2.727 -1.063 -0.244 1.00 0.00 H new ATOM 0 HA SER A 69 -5.221 0.406 -0.298 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.494 -0.921 2.315 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.972 -0.083 1.885 1.00 0.00 H new ATOM 0 HG SER A 69 -6.235 -2.390 1.871 1.00 0.00 H new ATOM 985 N ILE A 70 -4.127 2.102 1.356 1.00 0.00 N ATOM 986 CA ILE A 70 -3.357 3.210 1.894 1.00 0.00 C ATOM 987 C ILE A 70 -4.085 3.790 3.108 1.00 0.00 C ATOM 988 O ILE A 70 -5.284 4.059 3.047 1.00 0.00 O ATOM 989 CB ILE A 70 -3.065 4.241 0.801 1.00 0.00 C ATOM 990 CG1 ILE A 70 -1.982 3.736 -0.154 1.00 0.00 C ATOM 991 CG2 ILE A 70 -2.706 5.598 1.410 1.00 0.00 C ATOM 992 CD1 ILE A 70 -1.722 4.747 -1.272 1.00 0.00 C ATOM 0 H ILE A 70 -5.138 2.232 1.386 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.384 2.864 2.241 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.972 4.382 0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.060 3.555 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.288 2.783 -0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.503 6.313 0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.538 5.957 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.820 5.493 2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.948 4.363 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.640 4.907 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.393 5.692 -0.839 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.330 3.965 4.183 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.889 4.508 5.409 1.00 0.00 C ATOM 1006 C ASN A 71 -4.924 3.531 5.969 1.00 0.00 C ATOM 1007 O ASN A 71 -5.689 3.879 6.868 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.590 5.844 5.151 1.00 0.00 C ATOM 1009 CG ASN A 71 -4.329 6.829 6.292 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -5.227 7.243 7.007 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -3.053 7.181 6.421 1.00 0.00 N ATOM 0 H ASN A 71 -2.336 3.740 4.230 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.071 4.660 6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.237 6.269 4.211 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.663 5.681 5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.776 7.835 7.153 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.351 6.797 5.788 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.916 2.328 5.415 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.845 1.298 5.848 1.00 0.00 C ATOM 1020 C GLY A 72 -7.112 1.307 4.990 1.00 0.00 C ATOM 1021 O GLY A 72 -8.067 0.588 5.279 1.00 0.00 O ATOM 0 H GLY A 72 -4.281 2.043 4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.366 0.321 5.785 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.108 1.457 6.894 1.00 0.00 H new ATOM 1025 N LYS A 73 -7.080 2.129 3.952 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.214 2.241 3.050 1.00 0.00 C ATOM 1027 C LYS A 73 -8.034 1.264 1.887 1.00 0.00 C ATOM 1028 O LYS A 73 -7.207 1.489 1.005 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.406 3.694 2.609 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.320 4.445 3.579 1.00 0.00 C ATOM 1031 CD LYS A 73 -9.805 5.761 2.967 1.00 0.00 C ATOM 1032 CE LYS A 73 -10.676 6.538 3.957 1.00 0.00 C ATOM 1033 NZ LYS A 73 -11.917 5.789 4.253 1.00 0.00 N ATOM 0 H LYS A 73 -6.286 2.724 3.715 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.136 1.962 3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.438 4.193 2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.834 3.720 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.176 3.821 3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.785 4.647 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.948 6.369 2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.373 5.557 2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.121 6.713 4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.924 7.515 3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.590 6.412 4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.340 5.453 3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.695 4.975 4.861 1.00 0.00 H new ATOM 1047 N SER A 74 -8.822 0.199 1.923 1.00 0.00 N ATOM 1048 CA SER A 74 -8.759 -0.813 0.883 1.00 0.00 C ATOM 1049 C SER A 74 -9.419 -0.292 -0.395 1.00 0.00 C ATOM 1050 O SER A 74 -10.494 0.305 -0.344 1.00 0.00 O ATOM 1051 CB SER A 74 -9.432 -2.111 1.336 1.00 0.00 C ATOM 1052 OG SER A 74 -9.477 -2.220 2.756 1.00 0.00 O ATOM 0 H SER A 74 -9.507 0.015 2.656 1.00 0.00 H new ATOM 0 HA SER A 74 -7.710 -1.030 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.445 -2.153 0.937 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.891 -2.963 0.924 1.00 0.00 H new ATOM 0 HG SER A 74 -9.915 -3.060 3.006 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.749 -0.537 -1.511 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.257 -0.100 -2.801 1.00 0.00 C ATOM 1060 C LEU A 75 -10.385 -1.035 -3.243 1.00 0.00 C ATOM 1061 O LEU A 75 -10.131 -2.085 -3.830 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.118 0.013 -3.815 1.00 0.00 C ATOM 1063 CG LEU A 75 -6.811 0.612 -3.292 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.675 0.411 -4.298 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -6.993 2.084 -2.919 1.00 0.00 C ATOM 0 H LEU A 75 -7.858 -1.033 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.684 0.900 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.907 -0.982 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.463 0.619 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.532 0.082 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.757 0.846 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.526 -0.655 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.931 0.899 -5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.049 2.485 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.307 2.646 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.753 2.171 -2.142 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.607 -0.618 -2.945 1.00 0.00 N ATOM 1078 CA LYS A 76 -12.774 -1.405 -3.305 1.00 0.00 C ATOM 1079 C LYS A 76 -13.224 -1.026 -4.717 1.00 0.00 C ATOM 1080 O LYS A 76 -14.323 -1.382 -5.139 1.00 0.00 O ATOM 1081 CB LYS A 76 -13.870 -1.251 -2.249 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.189 0.224 -2.000 1.00 0.00 C ATOM 1083 CD LYS A 76 -13.507 0.725 -0.725 1.00 0.00 C ATOM 1084 CE LYS A 76 -14.535 1.005 0.373 1.00 0.00 C ATOM 1085 NZ LYS A 76 -13.856 1.347 1.643 1.00 0.00 N ATOM 0 H LYS A 76 -11.814 0.254 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.527 -2.466 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.770 -1.771 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.551 -1.720 -1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.859 0.820 -2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.268 0.357 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.790 -0.018 -0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.945 1.633 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.186 1.825 0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.170 0.131 0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.568 1.534 2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.253 0.553 1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.269 2.195 1.506 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.350 -0.309 -5.409 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.644 0.122 -6.766 1.00 0.00 C ATOM 1101 C GLY A 77 -12.719 1.647 -6.852 1.00 0.00 C ATOM 1102 O GLY A 77 -13.398 2.191 -7.722 1.00 0.00 O ATOM 0 H GLY A 77 -11.439 -0.016 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.874 -0.247 -7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.589 -0.311 -7.092 1.00 0.00 H new ATOM 1106 N THR A 78 -12.013 2.295 -5.937 1.00 0.00 N ATOM 1107 CA THR A 78 -11.991 3.748 -5.899 1.00 0.00 C ATOM 1108 C THR A 78 -11.513 4.310 -7.239 1.00 0.00 C ATOM 1109 O THR A 78 -10.647 3.724 -7.888 1.00 0.00 O ATOM 1110 CB THR A 78 -11.123 4.177 -4.715 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.145 3.051 -3.842 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.763 5.298 -3.894 1.00 0.00 C ATOM 0 H THR A 78 -11.452 1.841 -5.216 1.00 0.00 H new ATOM 0 HA THR A 78 -12.991 4.155 -5.751 1.00 0.00 H new ATOM 0 HB THR A 78 -10.150 4.505 -5.080 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.604 3.243 -3.047 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.105 5.564 -3.066 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.919 6.170 -4.529 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.722 4.959 -3.501 1.00 0.00 H new ATOM 1120 N THR A 79 -12.096 5.439 -7.614 1.00 0.00 N ATOM 1121 CA THR A 79 -11.740 6.086 -8.865 1.00 0.00 C ATOM 1122 C THR A 79 -10.370 6.756 -8.747 1.00 0.00 C ATOM 1123 O THR A 79 -9.794 6.813 -7.662 1.00 0.00 O ATOM 1124 CB THR A 79 -12.863 7.059 -9.230 1.00 0.00 C ATOM 1125 OG1 THR A 79 -13.157 7.726 -8.005 1.00 0.00 O ATOM 1126 CG2 THR A 79 -14.167 6.342 -9.586 1.00 0.00 C ATOM 0 H THR A 79 -12.813 5.922 -7.073 1.00 0.00 H new ATOM 0 HA THR A 79 -11.644 5.360 -9.673 1.00 0.00 H new ATOM 0 HB THR A 79 -12.548 7.677 -10.070 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.048 7.462 -7.695 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.930 7.078 -9.837 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.000 5.687 -10.441 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.501 5.749 -8.734 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.887 7.246 -9.880 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.595 7.910 -9.917 1.00 0.00 C ATOM 1136 C HIS A 80 -8.585 9.071 -8.921 1.00 0.00 C ATOM 1137 O HIS A 80 -7.628 9.239 -8.167 1.00 0.00 O ATOM 1138 CB HIS A 80 -8.251 8.348 -11.342 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.789 8.668 -11.550 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.780 7.754 -11.304 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -6.180 9.808 -11.983 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.618 8.329 -11.580 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.868 9.603 -12.000 1.00 0.00 N ATOM 0 H HIS A 80 -10.367 7.196 -10.779 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.814 7.212 -9.615 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.542 7.558 -12.034 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.844 9.227 -11.594 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.908 6.800 -10.967 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.680 10.723 -12.265 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.645 7.870 -11.489 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.662 9.842 -8.950 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.790 10.983 -8.059 1.00 0.00 C ATOM 1153 C HIS A 81 -10.012 10.493 -6.627 1.00 0.00 C ATOM 1154 O HIS A 81 -9.218 10.788 -5.736 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.892 11.928 -8.541 1.00 0.00 C ATOM 1156 CG HIS A 81 -10.615 13.386 -8.265 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -10.555 14.340 -9.266 1.00 0.00 N ATOM 1158 CD2 HIS A 81 -10.384 14.043 -7.092 1.00 0.00 C ATOM 1159 CE1 HIS A 81 -10.298 15.515 -8.709 1.00 0.00 C ATOM 1160 NE2 HIS A 81 -10.192 15.329 -7.362 1.00 0.00 N ATOM 0 H HIS A 81 -10.454 9.699 -9.576 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.867 11.562 -8.068 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -11.030 11.792 -9.614 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.830 11.650 -8.061 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.361 13.594 -6.110 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.191 16.455 -9.230 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.997 16.058 -6.675 1.00 0.00 H new ATOM 1168 N ASP A 82 -11.097 9.753 -6.451 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.434 9.219 -5.142 1.00 0.00 C ATOM 1170 C ASP A 82 -10.179 8.626 -4.499 1.00 0.00 C ATOM 1171 O ASP A 82 -10.072 8.569 -3.275 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.479 8.107 -5.253 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.906 8.586 -5.528 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -14.180 9.764 -5.212 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.691 7.763 -6.047 1.00 0.00 O ATOM 0 H ASP A 82 -11.754 9.511 -7.193 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.836 10.033 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.180 7.426 -6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.477 7.533 -4.326 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.261 8.199 -5.353 1.00 0.00 N ATOM 1181 CA ALA A 83 -8.017 7.612 -4.884 1.00 0.00 C ATOM 1182 C ALA A 83 -7.014 8.727 -4.581 1.00 0.00 C ATOM 1183 O ALA A 83 -6.572 8.877 -3.443 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.493 6.624 -5.928 1.00 0.00 C ATOM 0 H ALA A 83 -9.354 8.248 -6.368 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.179 7.055 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.560 6.184 -5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.230 5.836 -6.085 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.316 7.147 -6.868 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.685 9.481 -5.620 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.742 10.578 -5.479 1.00 0.00 C ATOM 1192 C LEU A 84 -6.042 11.340 -4.186 1.00 0.00 C ATOM 1193 O LEU A 84 -5.131 11.659 -3.424 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.756 11.460 -6.729 1.00 0.00 C ATOM 1195 CG LEU A 84 -5.285 10.794 -8.024 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -6.160 11.216 -9.207 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -3.803 11.075 -8.278 1.00 0.00 C ATOM 0 H LEU A 84 -7.054 9.354 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.724 10.197 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.772 11.826 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.128 12.331 -6.542 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.393 9.715 -7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.804 10.729 -10.115 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.193 10.922 -9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.107 12.298 -9.331 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.494 10.590 -9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.646 12.150 -8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.212 10.685 -7.450 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.323 11.609 -3.979 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.754 12.328 -2.792 1.00 0.00 C ATOM 1211 C ALA A 85 -7.381 11.519 -1.548 1.00 0.00 C ATOM 1212 O ALA A 85 -6.673 12.012 -0.672 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.257 12.603 -2.880 1.00 0.00 C ATOM 0 H ALA A 85 -8.076 11.342 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.250 13.292 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.581 13.142 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.466 13.205 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.796 11.658 -2.948 1.00 0.00 H new ATOM 1219 N ILE A 86 -7.874 10.290 -1.511 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.602 9.408 -0.389 1.00 0.00 C ATOM 1221 C ILE A 86 -6.108 9.456 -0.059 1.00 0.00 C ATOM 1222 O ILE A 86 -5.727 9.450 1.110 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.123 7.998 -0.676 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.450 7.747 0.044 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -7.072 6.943 -0.326 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.525 7.276 -0.937 1.00 0.00 C ATOM 0 H ILE A 86 -8.460 9.884 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.137 9.746 0.499 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.317 7.916 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.309 6.997 0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.779 8.661 0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.468 5.950 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.175 7.112 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.823 7.014 0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.458 7.105 -0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.680 8.039 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.204 6.348 -1.411 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.304 9.502 -1.111 1.00 0.00 N ATOM 1239 CA LEU A 87 -3.861 9.551 -0.948 1.00 0.00 C ATOM 1240 C LEU A 87 -3.469 10.889 -0.318 1.00 0.00 C ATOM 1241 O LEU A 87 -2.537 10.952 0.484 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.162 9.270 -2.279 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.768 9.879 -2.446 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.845 11.402 -2.565 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -0.838 9.439 -1.314 1.00 0.00 C ATOM 0 H LEU A 87 -5.624 9.506 -2.079 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.527 8.768 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.082 8.190 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.797 9.638 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.342 9.505 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.841 11.809 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.449 11.669 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.301 11.815 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.146 9.886 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.249 9.764 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.747 8.353 -1.319 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.198 11.925 -0.703 1.00 0.00 N ATOM 1258 CA ARG A 88 -3.938 13.258 -0.186 1.00 0.00 C ATOM 1259 C ARG A 88 -4.398 13.361 1.270 1.00 0.00 C ATOM 1260 O ARG A 88 -4.013 14.287 1.982 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.657 14.322 -1.018 1.00 0.00 C ATOM 1262 CG ARG A 88 -3.982 14.502 -2.379 1.00 0.00 C ATOM 1263 CD ARG A 88 -4.678 15.593 -3.196 1.00 0.00 C ATOM 1264 NE ARG A 88 -3.875 16.836 -3.167 1.00 0.00 N ATOM 1265 CZ ARG A 88 -2.634 16.941 -3.661 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -2.046 15.878 -4.225 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -1.982 18.109 -3.591 1.00 0.00 N ATOM 0 H ARG A 88 -4.970 11.869 -1.368 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.864 13.433 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.699 14.035 -1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.658 15.270 -0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.933 14.762 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.006 13.561 -2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.810 15.260 -4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.672 15.783 -2.792 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.293 17.665 -2.744 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.543 14.989 -4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.101 15.958 -4.601 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.430 18.918 -3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.037 18.189 -3.967 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.216 12.398 1.668 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.733 12.369 3.026 1.00 0.00 C ATOM 1283 C GLN A 89 -4.790 11.579 3.936 1.00 0.00 C ATOM 1284 O GLN A 89 -4.715 11.841 5.135 1.00 0.00 O ATOM 1285 CB GLN A 89 -7.147 11.786 3.062 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.152 12.744 2.419 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.415 12.867 3.274 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.376 12.844 4.493 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.535 13.000 2.568 1.00 0.00 N ATOM 0 H GLN A 89 -5.534 11.632 1.074 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.789 13.393 3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.164 10.830 2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.437 11.589 4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.696 13.726 2.294 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.416 12.386 1.424 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.497 13.012 1.549 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.431 13.090 3.046 1.00 0.00 H new ATOM 1298 N ALA A 90 -4.094 10.628 3.331 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.160 9.798 4.071 1.00 0.00 C ATOM 1300 C ALA A 90 -1.883 10.595 4.346 1.00 0.00 C ATOM 1301 O ALA A 90 -1.010 10.141 5.084 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.887 8.512 3.288 1.00 0.00 C ATOM 0 H ALA A 90 -4.159 10.414 2.336 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.583 9.510 5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.186 7.889 3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.821 7.968 3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.460 8.761 2.317 1.00 0.00 H new ATOM 1308 N ARG A 91 -1.815 11.770 3.737 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.660 12.635 3.907 1.00 0.00 C ATOM 1310 C ARG A 91 -0.946 13.702 4.964 1.00 0.00 C ATOM 1311 O ARG A 91 -0.044 14.426 5.382 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.285 13.318 2.590 1.00 0.00 C ATOM 1313 CG ARG A 91 -1.008 14.659 2.444 1.00 0.00 C ATOM 1314 CD ARG A 91 -1.250 14.993 0.970 1.00 0.00 C ATOM 1315 NE ARG A 91 -0.630 16.295 0.638 1.00 0.00 N ATOM 1316 CZ ARG A 91 0.672 16.459 0.365 1.00 0.00 C ATOM 1317 NH1 ARG A 91 1.499 15.405 0.383 1.00 0.00 N ATOM 1318 NH2 ARG A 91 1.147 17.678 0.075 1.00 0.00 N ATOM 0 H ARG A 91 -2.541 12.143 3.125 1.00 0.00 H new ATOM 0 HA ARG A 91 0.175 12.013 4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.793 13.476 2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.542 12.669 1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.960 14.623 2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.416 15.448 2.907 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.832 14.210 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.320 15.028 0.768 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.231 17.119 0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.138 14.477 0.605 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.490 15.530 0.175 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.518 18.481 0.062 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.138 17.803 -0.133 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.207 13.767 5.368 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.624 14.734 6.369 1.00 0.00 C ATOM 1334 C GLU A 92 -1.963 14.425 7.714 1.00 0.00 C ATOM 1335 O GLU A 92 -1.479 15.328 8.394 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.148 14.763 6.501 1.00 0.00 C ATOM 1337 CG GLU A 92 -4.814 14.925 5.133 1.00 0.00 C ATOM 1338 CD GLU A 92 -5.110 16.397 4.838 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -6.137 16.884 5.358 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -4.303 17.001 4.099 1.00 0.00 O ATOM 0 H GLU A 92 -2.953 13.165 5.020 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.301 15.724 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.493 13.842 6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.445 15.584 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.164 14.519 4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.740 14.351 5.105 1.00 0.00 H new ATOM 1347 N PRO A 93 -1.963 13.111 8.065 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.369 12.671 9.317 1.00 0.00 C ATOM 1349 C PRO A 93 0.159 12.685 9.233 1.00 0.00 C ATOM 1350 O PRO A 93 0.725 13.066 8.210 1.00 0.00 O ATOM 1351 CB PRO A 93 -1.938 11.282 9.556 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.462 10.809 8.209 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.526 12.013 7.284 1.00 0.00 C ATOM 0 HA PRO A 93 -1.606 13.332 10.150 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.172 10.606 9.936 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.736 11.309 10.298 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.808 10.043 7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.449 10.360 8.320 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.954 11.842 6.372 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.551 12.227 6.982 1.00 0.00 H new ATOM 1361 N ARG A 94 0.783 12.264 10.323 1.00 0.00 N ATOM 1362 CA ARG A 94 2.234 12.222 10.386 1.00 0.00 C ATOM 1363 C ARG A 94 2.745 10.843 9.965 1.00 0.00 C ATOM 1364 O ARG A 94 3.920 10.685 9.637 1.00 0.00 O ATOM 1365 CB ARG A 94 2.733 12.534 11.798 1.00 0.00 C ATOM 1366 CG ARG A 94 3.337 13.938 11.869 1.00 0.00 C ATOM 1367 CD ARG A 94 2.636 14.784 12.934 1.00 0.00 C ATOM 1368 NE ARG A 94 3.639 15.475 13.774 1.00 0.00 N ATOM 1369 CZ ARG A 94 4.454 14.851 14.636 1.00 0.00 C ATOM 1370 NH1 ARG A 94 4.388 13.521 14.778 1.00 0.00 N ATOM 1371 NH2 ARG A 94 5.334 15.559 15.357 1.00 0.00 N ATOM 0 H ARG A 94 0.310 11.949 11.170 1.00 0.00 H new ATOM 0 HA ARG A 94 2.617 12.979 9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.908 12.453 12.505 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.480 11.798 12.094 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.401 13.869 12.097 1.00 0.00 H new ATOM 0 HG3 ARG A 94 3.250 14.425 10.898 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.983 15.515 12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 94 2.004 14.150 13.556 1.00 0.00 H new ATOM 0 HE ARG A 94 3.715 16.489 13.692 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.717 12.982 14.230 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.008 13.047 15.434 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.383 16.572 15.250 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.954 15.085 16.013 1.00 0.00 H new ATOM 1385 N GLN A 95 1.836 9.879 9.988 1.00 0.00 N ATOM 1386 CA GLN A 95 2.180 8.518 9.613 1.00 0.00 C ATOM 1387 C GLN A 95 1.191 7.988 8.573 1.00 0.00 C ATOM 1388 O GLN A 95 0.013 8.344 8.593 1.00 0.00 O ATOM 1389 CB GLN A 95 2.226 7.606 10.840 1.00 0.00 C ATOM 1390 CG GLN A 95 2.851 6.253 10.495 1.00 0.00 C ATOM 1391 CD GLN A 95 2.435 5.182 11.506 1.00 0.00 C ATOM 1392 OE1 GLN A 95 3.115 4.917 12.484 1.00 0.00 O ATOM 1393 NE2 GLN A 95 1.284 4.583 11.216 1.00 0.00 N ATOM 0 H GLN A 95 0.862 10.013 10.260 1.00 0.00 H new ATOM 0 HA GLN A 95 3.175 8.525 9.169 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.802 8.085 11.632 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.217 7.457 11.225 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.544 5.951 9.494 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.937 6.343 10.482 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.765 4.853 10.381 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.920 3.853 11.829 1.00 0.00 H new ATOM 1402 N ALA A 96 1.705 7.146 7.689 1.00 0.00 N ATOM 1403 CA ALA A 96 0.882 6.564 6.643 1.00 0.00 C ATOM 1404 C ALA A 96 1.170 5.064 6.548 1.00 0.00 C ATOM 1405 O ALA A 96 2.295 4.628 6.784 1.00 0.00 O ATOM 1406 CB ALA A 96 1.143 7.291 5.322 1.00 0.00 C ATOM 0 H ALA A 96 2.682 6.853 7.676 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.176 6.683 6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.525 6.854 4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.895 8.347 5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.195 7.191 5.053 1.00 0.00 H new ATOM 1412 N VAL A 97 0.132 4.315 6.203 1.00 0.00 N ATOM 1413 CA VAL A 97 0.260 2.874 6.074 1.00 0.00 C ATOM 1414 C VAL A 97 -0.080 2.462 4.641 1.00 0.00 C ATOM 1415 O VAL A 97 -1.203 2.666 4.182 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.613 2.176 7.120 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -1.124 0.832 6.598 1.00 0.00 C ATOM 1418 CG2 VAL A 97 0.145 2.001 8.438 1.00 0.00 C ATOM 0 H VAL A 97 -0.801 4.680 6.009 1.00 0.00 H new ATOM 0 HA VAL A 97 1.287 2.563 6.266 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.478 2.811 7.313 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.741 0.357 7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.718 0.993 5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.277 0.187 6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.498 1.503 9.164 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.036 1.397 8.268 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.437 2.978 8.822 1.00 0.00 H new ATOM 1428 N ILE A 98 0.911 1.888 3.973 1.00 0.00 N ATOM 1429 CA ILE A 98 0.731 1.446 2.601 1.00 0.00 C ATOM 1430 C ILE A 98 1.132 -0.026 2.488 1.00 0.00 C ATOM 1431 O ILE A 98 2.211 -0.415 2.932 1.00 0.00 O ATOM 1432 CB ILE A 98 1.485 2.365 1.638 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.186 3.835 1.937 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.182 2.002 0.183 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.279 4.450 2.814 1.00 0.00 C ATOM 0 H ILE A 98 1.841 1.719 4.357 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.318 1.514 2.313 1.00 0.00 H new ATOM 0 HB ILE A 98 2.554 2.217 1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.109 4.391 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.222 3.919 2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.731 2.670 -0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.487 0.973 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.113 2.104 -0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.042 5.495 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.337 3.907 3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.237 4.386 2.299 1.00 0.00 H new ATOM 1447 N VAL A 99 0.242 -0.805 1.890 1.00 0.00 N ATOM 1448 CA VAL A 99 0.490 -2.226 1.713 1.00 0.00 C ATOM 1449 C VAL A 99 0.685 -2.523 0.225 1.00 0.00 C ATOM 1450 O VAL A 99 -0.248 -2.388 -0.566 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.644 -3.037 2.341 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.225 -4.493 2.553 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.109 -2.404 3.654 1.00 0.00 C ATOM 0 H VAL A 99 -0.652 -0.479 1.522 1.00 0.00 H new ATOM 0 HA VAL A 99 1.405 -2.521 2.226 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.485 -3.028 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.050 -5.047 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.034 -4.940 1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.639 -4.530 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.916 -3.000 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.276 -2.368 4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.467 -1.392 3.463 1.00 0.00 H new ATOM 1463 N THR A 100 1.902 -2.922 -0.112 1.00 0.00 N ATOM 1464 CA THR A 100 2.231 -3.240 -1.491 1.00 0.00 C ATOM 1465 C THR A 100 3.029 -4.544 -1.563 1.00 0.00 C ATOM 1466 O THR A 100 3.755 -4.883 -0.630 1.00 0.00 O ATOM 1467 CB THR A 100 2.970 -2.042 -2.089 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.132 -1.908 -1.275 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.217 -0.726 -1.882 1.00 0.00 C ATOM 0 H THR A 100 2.673 -3.033 0.547 1.00 0.00 H new ATOM 0 HA THR A 100 1.332 -3.414 -2.082 1.00 0.00 H new ATOM 0 HB THR A 100 3.125 -2.208 -3.155 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.670 -1.154 -1.595 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.785 0.092 -2.325 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.238 -0.788 -2.358 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.090 -0.543 -0.815 1.00 0.00 H new ATOM 1477 N ARG A 101 2.867 -5.238 -2.679 1.00 0.00 N ATOM 1478 CA ARG A 101 3.564 -6.497 -2.885 1.00 0.00 C ATOM 1479 C ARG A 101 4.754 -6.298 -3.825 1.00 0.00 C ATOM 1480 O ARG A 101 4.705 -5.463 -4.727 1.00 0.00 O ATOM 1481 CB ARG A 101 2.628 -7.554 -3.475 1.00 0.00 C ATOM 1482 CG ARG A 101 1.614 -8.032 -2.433 1.00 0.00 C ATOM 1483 CD ARG A 101 0.189 -7.651 -2.840 1.00 0.00 C ATOM 1484 NE ARG A 101 -0.218 -8.420 -4.037 1.00 0.00 N ATOM 1485 CZ ARG A 101 -0.635 -9.693 -4.006 1.00 0.00 C ATOM 1486 NH1 ARG A 101 -0.701 -10.348 -2.839 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -0.985 -10.311 -5.142 1.00 0.00 N ATOM 0 H ARG A 101 2.264 -4.953 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 101 3.918 -6.842 -1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.103 -7.140 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 101 3.212 -8.401 -3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.687 -9.114 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.849 -7.593 -1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.499 -7.851 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.135 -6.582 -3.048 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.179 -7.952 -4.942 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.434 -9.878 -1.974 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.018 -11.317 -2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.934 -9.812 -6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.302 -11.280 -5.118 1.00 0.00 H new