USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 401 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 728 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 731 THR OG1 : rot 180:sc= -1.33 USER MOD Set 2.1: A 713 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 714 GLN : amide:sc= -2.56 K(o=-2.6,f=-6!) USER MOD Single : A 703 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 708 GLN : amide:sc= -0.888 K(o=-0.89,f=-2!) USER MOD Single : A 709 THR OG1 : rot 180:sc= 0 USER MOD Single : A 717 TYR OH : rot 180:sc= 0 USER MOD Single : A 718 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 TYR OH : rot 180:sc= 0 USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 737 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-4.3!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot 180:sc= -0.0591 USER MOD Single : A 740 CYS SG : rot 41:sc= 0.412 USER MOD Single : A 741 GLN : amide:sc= -0.0942 X(o=-0.094,f=-0.31) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 33:sc= 0.639 USER MOD Single : A 748 GLN : amide:sc= -0.054 K(o=-0.054,f=-1) USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 THR OG1 : rot 46:sc= 0.0614 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 9.626 -0.736 3.698 1.00 0.00 N ATOM 217 CA ASN A 703 8.935 -0.200 2.531 1.00 0.00 C ATOM 218 C ASN A 703 9.023 -1.168 1.354 1.00 0.00 C ATOM 219 O ASN A 703 8.946 -0.760 0.196 1.00 0.00 O ATOM 220 CB ASN A 703 9.529 1.154 2.137 1.00 0.00 C ATOM 221 CG ASN A 703 9.766 2.052 3.336 1.00 0.00 C ATOM 222 OD1 ASN A 703 8.822 2.477 4.003 1.00 0.00 O ATOM 223 ND2 ASN A 703 11.030 2.346 3.615 1.00 0.00 N ATOM 0 HA ASN A 703 7.885 -0.067 2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 703 10.472 0.996 1.613 1.00 0.00 H new ATOM 0 HB3 ASN A 703 8.857 1.654 1.439 1.00 0.00 H new ATOM 0 HD21 ASN A 703 11.251 2.946 4.409 1.00 0.00 H new ATOM 0 HD22 ASN A 703 11.781 1.971 3.035 1.00 0.00 H new ATOM 230 N GLU A 704 9.185 -2.451 1.662 1.00 0.00 N ATOM 231 CA GLU A 704 9.284 -3.476 0.630 1.00 0.00 C ATOM 232 C GLU A 704 7.919 -3.757 0.009 1.00 0.00 C ATOM 233 O GLU A 704 7.745 -3.665 -1.207 1.00 0.00 O ATOM 234 CB GLU A 704 9.866 -4.765 1.214 1.00 0.00 C ATOM 235 CG GLU A 704 10.003 -5.887 0.198 1.00 0.00 C ATOM 236 CD GLU A 704 11.208 -5.713 -0.705 1.00 0.00 C ATOM 237 OE1 GLU A 704 12.157 -5.011 -0.298 1.00 0.00 O ATOM 238 OE2 GLU A 704 11.203 -6.278 -1.818 1.00 0.00 O ATOM 0 H GLU A 704 9.250 -2.805 2.616 1.00 0.00 H new ATOM 0 HA GLU A 704 9.949 -3.106 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 704 10.846 -4.551 1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 704 9.230 -5.103 2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 704 10.081 -6.839 0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 704 9.101 -5.932 -0.412 1.00 0.00 H new ATOM 245 N LEU A 705 6.952 -4.102 0.853 1.00 0.00 N ATOM 246 CA LEU A 705 5.601 -4.398 0.389 1.00 0.00 C ATOM 247 C LEU A 705 4.956 -3.163 -0.232 1.00 0.00 C ATOM 248 O LEU A 705 3.914 -3.255 -0.881 1.00 0.00 O ATOM 249 CB LEU A 705 4.743 -4.907 1.548 1.00 0.00 C ATOM 250 CG LEU A 705 3.255 -5.098 1.249 1.00 0.00 C ATOM 251 CD1 LEU A 705 3.052 -6.232 0.255 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.483 -5.367 2.532 1.00 0.00 C ATOM 0 H LEU A 705 7.079 -4.184 1.862 1.00 0.00 H new ATOM 0 HA LEU A 705 5.667 -5.173 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 705 5.151 -5.860 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 705 4.839 -4.208 2.379 1.00 0.00 H new ATOM 0 HG LEU A 705 2.873 -4.179 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.988 -6.354 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.572 -5.999 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 705 3.450 -7.157 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.426 -5.500 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.867 -6.271 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.601 -4.523 3.212 1.00 0.00 H new ATOM 264 N ILE A 706 5.583 -2.009 -0.029 1.00 0.00 N ATOM 265 CA ILE A 706 5.072 -0.756 -0.572 1.00 0.00 C ATOM 266 C ILE A 706 5.109 -0.762 -2.096 1.00 0.00 C ATOM 267 O ILE A 706 6.177 -0.678 -2.702 1.00 0.00 O ATOM 268 CB ILE A 706 5.875 0.451 -0.054 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.522 0.739 1.406 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.610 1.674 -0.920 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.228 -0.506 2.213 1.00 0.00 C ATOM 0 H ILE A 706 6.446 -1.916 0.507 1.00 0.00 H new ATOM 0 HA ILE A 706 4.039 -0.665 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 706 6.937 0.213 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.347 1.278 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 706 4.654 1.397 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.185 2.519 -0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 706 5.908 1.464 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.548 1.916 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 706 4.986 -0.226 3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.383 -1.035 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.103 -1.156 2.211 1.00 0.00 H new ATOM 283 N GLY A 707 3.934 -0.860 -2.712 1.00 0.00 N ATOM 284 CA GLY A 707 3.854 -0.873 -4.160 1.00 0.00 C ATOM 285 C GLY A 707 3.178 -2.121 -4.693 1.00 0.00 C ATOM 286 O GLY A 707 2.817 -2.185 -5.867 1.00 0.00 O ATOM 0 H GLY A 707 3.036 -0.931 -2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.305 0.006 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.859 -0.802 -4.577 1.00 0.00 H new ATOM 290 N GLN A 708 3.009 -3.115 -3.827 1.00 0.00 N ATOM 291 CA GLN A 708 2.374 -4.368 -4.219 1.00 0.00 C ATOM 292 C GLN A 708 0.859 -4.211 -4.294 1.00 0.00 C ATOM 293 O GLN A 708 0.292 -3.277 -3.725 1.00 0.00 O ATOM 294 CB GLN A 708 2.735 -5.478 -3.229 1.00 0.00 C ATOM 295 CG GLN A 708 4.231 -5.635 -3.010 1.00 0.00 C ATOM 296 CD GLN A 708 5.029 -5.461 -4.286 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.601 -5.881 -5.362 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.198 -4.840 -4.174 1.00 0.00 N ATOM 0 H GLN A 708 3.302 -3.077 -2.851 1.00 0.00 H new ATOM 0 HA GLN A 708 2.742 -4.639 -5.209 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.256 -5.270 -2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.328 -6.422 -3.591 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.565 -4.903 -2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.432 -6.622 -2.592 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.514 -4.508 -3.263 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.780 -4.695 -4.999 1.00 0.00 H new ATOM 307 N THR A 709 0.208 -5.129 -5.001 1.00 0.00 N ATOM 308 CA THR A 709 -1.241 -5.091 -5.153 1.00 0.00 C ATOM 309 C THR A 709 -1.927 -5.948 -4.095 1.00 0.00 C ATOM 310 O THR A 709 -1.886 -7.177 -4.154 1.00 0.00 O ATOM 311 CB THR A 709 -1.673 -5.577 -6.549 1.00 0.00 C ATOM 312 OG1 THR A 709 -1.140 -4.709 -7.556 1.00 0.00 O ATOM 313 CG2 THR A 709 -3.189 -5.623 -6.662 1.00 0.00 C ATOM 0 H THR A 709 0.662 -5.908 -5.478 1.00 0.00 H new ATOM 0 HA THR A 709 -1.544 -4.051 -5.028 1.00 0.00 H new ATOM 0 HB THR A 709 -1.284 -6.585 -6.695 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.418 -5.025 -8.441 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.469 -5.969 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.589 -6.307 -5.914 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.597 -4.626 -6.497 1.00 0.00 H new ATOM 321 N VAL A 710 -2.558 -5.291 -3.126 1.00 0.00 N ATOM 322 CA VAL A 710 -3.255 -5.993 -2.055 1.00 0.00 C ATOM 323 C VAL A 710 -4.763 -5.790 -2.155 1.00 0.00 C ATOM 324 O VAL A 710 -5.230 -4.763 -2.650 1.00 0.00 O ATOM 325 CB VAL A 710 -2.775 -5.521 -0.670 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.290 -5.798 -0.497 1.00 0.00 C ATOM 327 CG2 VAL A 710 -3.077 -4.043 -0.477 1.00 0.00 C ATOM 0 H VAL A 710 -2.601 -4.274 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 710 -3.026 -7.053 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.315 -6.081 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -0.969 -5.458 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.106 -6.869 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.729 -5.267 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.731 -3.726 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.565 -3.464 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.152 -3.878 -0.554 1.00 0.00 H new ATOM 337 N ARG A 711 -5.520 -6.774 -1.681 1.00 0.00 N ATOM 338 CA ARG A 711 -6.976 -6.703 -1.718 1.00 0.00 C ATOM 339 C ARG A 711 -7.562 -6.835 -0.315 1.00 0.00 C ATOM 340 O ARG A 711 -7.424 -7.874 0.330 1.00 0.00 O ATOM 341 CB ARG A 711 -7.538 -7.801 -2.622 1.00 0.00 C ATOM 342 CG ARG A 711 -9.056 -7.880 -2.613 1.00 0.00 C ATOM 343 CD ARG A 711 -9.547 -9.231 -3.110 1.00 0.00 C ATOM 344 NE ARG A 711 -9.571 -9.302 -4.568 1.00 0.00 N ATOM 345 CZ ARG A 711 -10.461 -8.665 -5.321 1.00 0.00 C ATOM 346 NH1 ARG A 711 -11.396 -7.914 -4.755 1.00 0.00 N ATOM 347 NH2 ARG A 711 -10.418 -8.779 -6.642 1.00 0.00 N ATOM 0 H ARG A 711 -5.150 -7.629 -1.267 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.258 -5.730 -2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -7.198 -7.629 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -7.131 -8.762 -2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.424 -7.707 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.466 -7.089 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -8.901 -10.017 -2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -10.548 -9.418 -2.721 1.00 0.00 H new ATOM 0 HE ARG A 711 -8.865 -9.872 -5.034 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -11.433 -7.825 -3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -12.078 -7.426 -5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -9.701 -9.356 -7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -11.102 -8.289 -7.219 1.00 0.00 H new ATOM 361 N ILE A 712 -8.215 -5.775 0.150 1.00 0.00 N ATOM 362 CA ILE A 712 -8.821 -5.773 1.475 1.00 0.00 C ATOM 363 C ILE A 712 -9.911 -6.835 1.582 1.00 0.00 C ATOM 364 O ILE A 712 -10.661 -7.067 0.635 1.00 0.00 O ATOM 365 CB ILE A 712 -9.425 -4.398 1.815 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.344 -3.317 1.772 1.00 0.00 C ATOM 367 CG2 ILE A 712 -10.090 -4.435 3.183 1.00 0.00 C ATOM 368 CD1 ILE A 712 -8.880 -1.938 1.455 1.00 0.00 C ATOM 0 H ILE A 712 -8.338 -4.907 -0.371 1.00 0.00 H new ATOM 0 HA ILE A 712 -8.026 -5.998 2.186 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.183 -4.157 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -7.833 -3.287 2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.599 -3.589 1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.512 -3.456 3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -10.885 -5.181 3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.350 -4.695 3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -8.058 -1.222 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.366 -1.952 0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.603 -1.645 2.216 1.00 0.00 H new ATOM 380 N SER A 713 -9.992 -7.476 2.744 1.00 0.00 N ATOM 381 CA SER A 713 -10.988 -8.516 2.975 1.00 0.00 C ATOM 382 C SER A 713 -11.868 -8.167 4.172 1.00 0.00 C ATOM 383 O SER A 713 -12.988 -8.662 4.296 1.00 0.00 O ATOM 384 CB SER A 713 -10.305 -9.865 3.206 1.00 0.00 C ATOM 385 OG SER A 713 -11.242 -10.850 3.603 1.00 0.00 O ATOM 0 H SER A 713 -9.380 -7.293 3.540 1.00 0.00 H new ATOM 0 HA SER A 713 -11.619 -8.584 2.089 1.00 0.00 H new ATOM 0 HB2 SER A 713 -9.803 -10.183 2.292 1.00 0.00 H new ATOM 0 HB3 SER A 713 -9.536 -9.760 3.972 1.00 0.00 H new ATOM 0 HG SER A 713 -10.780 -11.703 3.743 1.00 0.00 H new ATOM 391 N GLN A 714 -11.353 -7.312 5.049 1.00 0.00 N ATOM 392 CA GLN A 714 -12.091 -6.898 6.236 1.00 0.00 C ATOM 393 C GLN A 714 -12.521 -5.439 6.128 1.00 0.00 C ATOM 394 O GLN A 714 -12.205 -4.758 5.153 1.00 0.00 O ATOM 395 CB GLN A 714 -11.237 -7.099 7.489 1.00 0.00 C ATOM 396 CG GLN A 714 -11.229 -8.532 7.996 1.00 0.00 C ATOM 397 CD GLN A 714 -11.148 -9.547 6.874 1.00 0.00 C ATOM 398 OE1 GLN A 714 -10.157 -9.606 6.145 1.00 0.00 O ATOM 399 NE2 GLN A 714 -12.192 -10.355 6.729 1.00 0.00 N ATOM 0 H GLN A 714 -10.428 -6.892 4.960 1.00 0.00 H new ATOM 0 HA GLN A 714 -12.985 -7.517 6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -10.213 -6.793 7.274 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -11.606 -6.445 8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -10.382 -8.671 8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -12.132 -8.712 8.579 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -12.992 -10.271 7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -12.193 -11.059 5.991 1.00 0.00 H new ATOM 408 N GLY A 715 -13.246 -4.964 7.136 1.00 0.00 N ATOM 409 CA GLY A 715 -13.708 -3.588 7.135 1.00 0.00 C ATOM 410 C GLY A 715 -14.736 -3.323 6.053 1.00 0.00 C ATOM 411 O GLY A 715 -15.111 -4.215 5.291 1.00 0.00 O ATOM 0 H GLY A 715 -13.522 -5.508 7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -14.140 -3.352 8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.857 -2.922 6.994 1.00 0.00 H new ATOM 415 N PRO A 716 -15.210 -2.071 5.975 1.00 0.00 N ATOM 416 CA PRO A 716 -16.209 -1.663 4.983 1.00 0.00 C ATOM 417 C PRO A 716 -15.643 -1.641 3.567 1.00 0.00 C ATOM 418 O PRO A 716 -16.381 -1.467 2.596 1.00 0.00 O ATOM 419 CB PRO A 716 -16.594 -0.249 5.427 1.00 0.00 C ATOM 420 CG PRO A 716 -15.407 0.247 6.179 1.00 0.00 C ATOM 421 CD PRO A 716 -14.808 -0.957 6.850 1.00 0.00 C ATOM 0 HA PRO A 716 -17.050 -2.355 4.943 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.815 0.388 4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -17.485 -0.260 6.055 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -14.688 0.717 5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -15.697 0.999 6.913 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.724 -0.877 6.926 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -15.190 -1.084 7.863 1.00 0.00 H new ATOM 429 N TYR A 717 -14.332 -1.817 3.456 1.00 0.00 N ATOM 430 CA TYR A 717 -13.667 -1.815 2.158 1.00 0.00 C ATOM 431 C TYR A 717 -13.317 -3.235 1.723 1.00 0.00 C ATOM 432 O TYR A 717 -12.338 -3.456 1.009 1.00 0.00 O ATOM 433 CB TYR A 717 -12.400 -0.960 2.212 1.00 0.00 C ATOM 434 CG TYR A 717 -12.637 0.442 2.728 1.00 0.00 C ATOM 435 CD1 TYR A 717 -12.743 0.692 4.090 1.00 0.00 C ATOM 436 CD2 TYR A 717 -12.757 1.515 1.853 1.00 0.00 C ATOM 437 CE1 TYR A 717 -12.961 1.971 4.567 1.00 0.00 C ATOM 438 CE2 TYR A 717 -12.972 2.796 2.321 1.00 0.00 C ATOM 439 CZ TYR A 717 -13.074 3.019 3.678 1.00 0.00 C ATOM 440 OH TYR A 717 -13.291 4.295 4.148 1.00 0.00 O ATOM 0 H TYR A 717 -13.708 -1.963 4.249 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.354 -1.389 1.427 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.666 -1.453 2.849 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -11.968 -0.902 1.213 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -12.654 -0.127 4.788 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -12.681 1.344 0.789 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -13.042 2.148 5.629 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -13.060 3.619 1.628 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.345 4.917 3.393 1.00 0.00 H new ATOM 450 N LYS A 718 -14.125 -4.196 2.159 1.00 0.00 N ATOM 451 CA LYS A 718 -13.904 -5.596 1.815 1.00 0.00 C ATOM 452 C LYS A 718 -14.077 -5.822 0.316 1.00 0.00 C ATOM 453 O LYS A 718 -15.004 -5.295 -0.298 1.00 0.00 O ATOM 454 CB LYS A 718 -14.872 -6.492 2.591 1.00 0.00 C ATOM 455 CG LYS A 718 -14.995 -7.894 2.020 1.00 0.00 C ATOM 456 CD LYS A 718 -15.823 -8.793 2.922 1.00 0.00 C ATOM 457 CE LYS A 718 -15.755 -10.245 2.475 1.00 0.00 C ATOM 458 NZ LYS A 718 -16.646 -10.510 1.312 1.00 0.00 N ATOM 0 H LYS A 718 -14.939 -4.031 2.751 1.00 0.00 H new ATOM 0 HA LYS A 718 -12.881 -5.854 2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.540 -6.559 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -15.857 -6.025 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.454 -7.847 1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -14.002 -8.323 1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.465 -8.710 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -16.860 -8.458 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -14.728 -10.496 2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -16.038 -10.894 3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -16.571 -11.510 1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -17.630 -10.295 1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -16.361 -9.910 0.512 1.00 0.00 H new ATOM 472 N GLY A 719 -13.179 -6.610 -0.267 1.00 0.00 N ATOM 473 CA GLY A 719 -13.252 -6.892 -1.689 1.00 0.00 C ATOM 474 C GLY A 719 -12.814 -5.714 -2.537 1.00 0.00 C ATOM 475 O GLY A 719 -13.371 -5.471 -3.607 1.00 0.00 O ATOM 0 H GLY A 719 -12.403 -7.058 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.625 -7.754 -1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.275 -7.164 -1.950 1.00 0.00 H new ATOM 479 N TYR A 720 -11.816 -4.981 -2.057 1.00 0.00 N ATOM 480 CA TYR A 720 -11.307 -3.819 -2.777 1.00 0.00 C ATOM 481 C TYR A 720 -9.809 -3.951 -3.033 1.00 0.00 C ATOM 482 O TYR A 720 -9.072 -4.495 -2.209 1.00 0.00 O ATOM 483 CB TYR A 720 -11.591 -2.540 -1.988 1.00 0.00 C ATOM 484 CG TYR A 720 -12.994 -2.010 -2.178 1.00 0.00 C ATOM 485 CD1 TYR A 720 -14.100 -2.820 -1.950 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.214 -0.700 -2.584 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.384 -2.340 -2.123 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.495 -0.211 -2.758 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.576 -1.036 -2.527 1.00 0.00 C ATOM 490 OH TYR A 720 -16.854 -0.554 -2.698 1.00 0.00 O ATOM 0 H TYR A 720 -11.343 -5.170 -1.173 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.818 -3.765 -3.738 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.425 -2.733 -0.928 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.878 -1.772 -2.288 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -13.953 -3.842 -1.632 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.369 -0.052 -2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.233 -2.983 -1.943 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.649 0.811 -3.073 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.815 0.383 -2.984 1.00 0.00 H new ATOM 500 N ILE A 721 -9.365 -3.448 -4.180 1.00 0.00 N ATOM 501 CA ILE A 721 -7.955 -3.507 -4.544 1.00 0.00 C ATOM 502 C ILE A 721 -7.252 -2.189 -4.237 1.00 0.00 C ATOM 503 O ILE A 721 -7.879 -1.131 -4.208 1.00 0.00 O ATOM 504 CB ILE A 721 -7.773 -3.837 -6.038 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.564 -5.095 -6.404 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.298 -4.019 -6.364 1.00 0.00 C ATOM 507 CD1 ILE A 721 -8.002 -6.361 -5.796 1.00 0.00 C ATOM 0 H ILE A 721 -9.961 -2.995 -4.873 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.508 -4.302 -3.947 1.00 0.00 H new ATOM 0 HB ILE A 721 -8.156 -3.005 -6.629 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.597 -4.973 -6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.583 -5.200 -7.489 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -6.185 -4.252 -7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.759 -3.100 -6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.892 -4.836 -5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.613 -7.212 -6.098 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -6.979 -6.508 -6.142 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -8.009 -6.277 -4.709 1.00 0.00 H new ATOM 519 N GLY A 722 -5.944 -2.261 -4.011 1.00 0.00 N ATOM 520 CA GLY A 722 -5.176 -1.066 -3.710 1.00 0.00 C ATOM 521 C GLY A 722 -3.687 -1.338 -3.634 1.00 0.00 C ATOM 522 O GLY A 722 -3.265 -2.483 -3.472 1.00 0.00 O ATOM 0 H GLY A 722 -5.402 -3.125 -4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.366 -0.313 -4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.515 -0.649 -2.762 1.00 0.00 H new ATOM 526 N VAL A 723 -2.888 -0.282 -3.754 1.00 0.00 N ATOM 527 CA VAL A 723 -1.437 -0.412 -3.698 1.00 0.00 C ATOM 528 C VAL A 723 -0.891 0.088 -2.365 1.00 0.00 C ATOM 529 O VAL A 723 -1.144 1.224 -1.965 1.00 0.00 O ATOM 530 CB VAL A 723 -0.759 0.366 -4.842 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.746 0.424 -4.631 1.00 0.00 C ATOM 532 CG2 VAL A 723 -1.093 -0.265 -6.185 1.00 0.00 C ATOM 0 H VAL A 723 -3.221 0.672 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.210 -1.473 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.141 1.387 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.207 0.977 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 723 0.962 0.925 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.149 -0.588 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.606 0.297 -6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.740 -1.296 -6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -2.172 -0.248 -6.336 1.00 0.00 H new ATOM 542 N VAL A 724 -0.139 -0.768 -1.681 1.00 0.00 N ATOM 543 CA VAL A 724 0.445 -0.413 -0.393 1.00 0.00 C ATOM 544 C VAL A 724 1.380 0.784 -0.525 1.00 0.00 C ATOM 545 O VAL A 724 2.471 0.676 -1.084 1.00 0.00 O ATOM 546 CB VAL A 724 1.225 -1.594 0.214 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.770 -1.226 1.586 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.341 -2.830 0.297 1.00 0.00 C ATOM 0 H VAL A 724 0.080 -1.713 -1.997 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.382 -0.154 0.269 1.00 0.00 H new ATOM 0 HB VAL A 724 2.069 -1.822 -0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.318 -2.073 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.439 -0.371 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 724 0.944 -0.970 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 724 0.908 -3.655 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.524 -2.617 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.005 -3.105 -0.703 1.00 0.00 H new ATOM 558 N LYS A 725 0.944 1.927 -0.006 1.00 0.00 N ATOM 559 CA LYS A 725 1.741 3.147 -0.062 1.00 0.00 C ATOM 560 C LYS A 725 2.732 3.204 1.096 1.00 0.00 C ATOM 561 O LYS A 725 3.880 3.613 0.924 1.00 0.00 O ATOM 562 CB LYS A 725 0.832 4.377 -0.031 1.00 0.00 C ATOM 563 CG LYS A 725 -0.184 4.412 -1.160 1.00 0.00 C ATOM 564 CD LYS A 725 0.380 5.094 -2.395 1.00 0.00 C ATOM 565 CE LYS A 725 1.181 4.125 -3.250 1.00 0.00 C ATOM 566 NZ LYS A 725 1.333 4.614 -4.649 1.00 0.00 N ATOM 0 H LYS A 725 0.042 2.034 0.459 1.00 0.00 H new ATOM 0 HA LYS A 725 2.302 3.141 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.304 4.404 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 725 1.448 5.275 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.486 3.395 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -1.079 4.938 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 725 -0.435 5.513 -2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 725 1.016 5.926 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 725 2.166 3.979 -2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 725 0.687 3.153 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 1.885 3.925 -5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 0.394 4.729 -5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 1.827 5.529 -4.645 1.00 0.00 H new ATOM 580 N ASP A 726 2.281 2.790 2.275 1.00 0.00 N ATOM 581 CA ASP A 726 3.129 2.792 3.462 1.00 0.00 C ATOM 582 C ASP A 726 2.878 1.549 4.310 1.00 0.00 C ATOM 583 O ASP A 726 1.771 1.011 4.328 1.00 0.00 O ATOM 584 CB ASP A 726 2.878 4.051 4.292 1.00 0.00 C ATOM 585 CG ASP A 726 4.094 4.466 5.097 1.00 0.00 C ATOM 586 OD1 ASP A 726 4.559 3.657 5.928 1.00 0.00 O ATOM 587 OD2 ASP A 726 4.581 5.598 4.896 1.00 0.00 O ATOM 0 H ASP A 726 1.333 2.449 2.435 1.00 0.00 H new ATOM 0 HA ASP A 726 4.169 2.784 3.136 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.588 4.867 3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.041 3.876 4.968 1.00 0.00 H new ATOM 592 N ALA A 727 3.913 1.099 5.012 1.00 0.00 N ATOM 593 CA ALA A 727 3.804 -0.079 5.864 1.00 0.00 C ATOM 594 C ALA A 727 3.957 0.292 7.335 1.00 0.00 C ATOM 595 O ALA A 727 4.996 0.802 7.754 1.00 0.00 O ATOM 596 CB ALA A 727 4.846 -1.114 5.467 1.00 0.00 C ATOM 0 H ALA A 727 4.836 1.532 5.007 1.00 0.00 H new ATOM 0 HA ALA A 727 2.811 -0.507 5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.754 -1.989 6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.689 -1.409 4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.843 -0.687 5.576 1.00 0.00 H new ATOM 602 N THR A 728 2.913 0.032 8.117 1.00 0.00 N ATOM 603 CA THR A 728 2.930 0.340 9.541 1.00 0.00 C ATOM 604 C THR A 728 3.159 -0.917 10.373 1.00 0.00 C ATOM 605 O THR A 728 3.018 -2.034 9.876 1.00 0.00 O ATOM 606 CB THR A 728 1.615 1.005 9.988 1.00 0.00 C ATOM 607 OG1 THR A 728 1.051 1.752 8.905 1.00 0.00 O ATOM 608 CG2 THR A 728 1.850 1.925 11.177 1.00 0.00 C ATOM 0 H THR A 728 2.045 -0.391 7.787 1.00 0.00 H new ATOM 0 HA THR A 728 3.754 1.035 9.704 1.00 0.00 H new ATOM 0 HB THR A 728 0.921 0.220 10.288 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.214 2.170 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 728 0.907 2.383 11.475 1.00 0.00 H new ATOM 0 HG22 THR A 728 2.252 1.348 12.010 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.560 2.704 10.900 1.00 0.00 H new ATOM 616 N GLU A 729 3.512 -0.726 11.640 1.00 0.00 N ATOM 617 CA GLU A 729 3.760 -1.847 12.540 1.00 0.00 C ATOM 618 C GLU A 729 2.538 -2.758 12.625 1.00 0.00 C ATOM 619 O GLU A 729 2.640 -3.969 12.435 1.00 0.00 O ATOM 620 CB GLU A 729 4.128 -1.338 13.935 1.00 0.00 C ATOM 621 CG GLU A 729 3.110 -0.372 14.518 1.00 0.00 C ATOM 622 CD GLU A 729 3.646 0.387 15.717 1.00 0.00 C ATOM 623 OE1 GLU A 729 4.554 1.224 15.530 1.00 0.00 O ATOM 624 OE2 GLU A 729 3.158 0.145 16.840 1.00 0.00 O ATOM 0 H GLU A 729 3.633 0.193 12.066 1.00 0.00 H new ATOM 0 HA GLU A 729 4.594 -2.423 12.139 1.00 0.00 H new ATOM 0 HB2 GLU A 729 4.235 -2.190 14.607 1.00 0.00 H new ATOM 0 HB3 GLU A 729 5.099 -0.845 13.888 1.00 0.00 H new ATOM 0 HG2 GLU A 729 2.807 0.338 13.749 1.00 0.00 H new ATOM 0 HG3 GLU A 729 2.217 -0.924 14.812 1.00 0.00 H new ATOM 631 N SER A 730 1.384 -2.164 12.911 1.00 0.00 N ATOM 632 CA SER A 730 0.143 -2.921 13.026 1.00 0.00 C ATOM 633 C SER A 730 -0.887 -2.432 12.012 1.00 0.00 C ATOM 634 O SER A 730 -2.079 -2.717 12.133 1.00 0.00 O ATOM 635 CB SER A 730 -0.422 -2.803 14.443 1.00 0.00 C ATOM 636 OG SER A 730 0.235 -3.691 15.330 1.00 0.00 O ATOM 0 H SER A 730 1.282 -1.161 13.067 1.00 0.00 H new ATOM 0 HA SER A 730 0.364 -3.968 12.817 1.00 0.00 H new ATOM 0 HB2 SER A 730 -0.309 -1.779 14.799 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.490 -3.020 14.431 1.00 0.00 H new ATOM 0 HG SER A 730 -0.143 -3.595 16.229 1.00 0.00 H new ATOM 642 N THR A 731 -0.419 -1.693 11.012 1.00 0.00 N ATOM 643 CA THR A 731 -1.298 -1.162 9.977 1.00 0.00 C ATOM 644 C THR A 731 -0.553 -0.989 8.659 1.00 0.00 C ATOM 645 O THR A 731 0.664 -1.166 8.594 1.00 0.00 O ATOM 646 CB THR A 731 -1.902 0.192 10.394 1.00 0.00 C ATOM 647 OG1 THR A 731 -0.997 0.887 11.259 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.236 -0.005 11.099 1.00 0.00 C ATOM 0 H THR A 731 0.564 -1.448 10.896 1.00 0.00 H new ATOM 0 HA THR A 731 -2.103 -1.885 9.844 1.00 0.00 H new ATOM 0 HB THR A 731 -2.069 0.783 9.494 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.388 1.748 11.518 1.00 0.00 H new ATOM 0 HG21 THR A 731 -3.644 0.965 11.384 1.00 0.00 H new ATOM 0 HG22 THR A 731 -3.932 -0.508 10.427 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.090 -0.614 11.991 1.00 0.00 H new ATOM 656 N ALA A 732 -1.290 -0.642 7.609 1.00 0.00 N ATOM 657 CA ALA A 732 -0.698 -0.442 6.292 1.00 0.00 C ATOM 658 C ALA A 732 -1.506 0.558 5.473 1.00 0.00 C ATOM 659 O ALA A 732 -2.694 0.352 5.220 1.00 0.00 O ATOM 660 CB ALA A 732 -0.592 -1.769 5.554 1.00 0.00 C ATOM 0 H ALA A 732 -2.298 -0.494 7.645 1.00 0.00 H new ATOM 0 HA ALA A 732 0.303 -0.034 6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 732 -0.148 -1.605 4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 732 0.034 -2.454 6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.586 -2.200 5.435 1.00 0.00 H new ATOM 666 N ARG A 733 -0.856 1.642 5.061 1.00 0.00 N ATOM 667 CA ARG A 733 -1.516 2.675 4.272 1.00 0.00 C ATOM 668 C ARG A 733 -1.596 2.269 2.803 1.00 0.00 C ATOM 669 O ARG A 733 -0.634 2.423 2.052 1.00 0.00 O ATOM 670 CB ARG A 733 -0.768 4.003 4.405 1.00 0.00 C ATOM 671 CG ARG A 733 -0.596 4.464 5.843 1.00 0.00 C ATOM 672 CD ARG A 733 -1.885 5.049 6.398 1.00 0.00 C ATOM 673 NE ARG A 733 -1.636 5.970 7.504 1.00 0.00 N ATOM 674 CZ ARG A 733 -2.542 6.823 7.969 1.00 0.00 C ATOM 675 NH1 ARG A 733 -3.751 6.872 7.425 1.00 0.00 N ATOM 676 NH2 ARG A 733 -2.240 7.629 8.979 1.00 0.00 N ATOM 0 H ARG A 733 0.127 1.827 5.261 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.530 2.797 4.653 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.215 3.904 3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -1.306 4.770 3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 733 -0.281 3.623 6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 733 0.196 5.211 5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -2.417 5.572 5.604 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -2.533 4.241 6.738 1.00 0.00 H new ATOM 0 HE ARG A 733 -0.716 5.958 7.944 1.00 0.00 H new ATOM 0 HH11 ARG A 733 -3.986 6.254 6.648 1.00 0.00 H new ATOM 0 HH12 ARG A 733 -4.445 7.528 7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -1.311 7.594 9.399 1.00 0.00 H new ATOM 0 HH22 ARG A 733 -2.937 8.284 9.335 1.00 0.00 H new ATOM 690 N VAL A 734 -2.752 1.748 2.401 1.00 0.00 N ATOM 691 CA VAL A 734 -2.959 1.320 1.023 1.00 0.00 C ATOM 692 C VAL A 734 -3.800 2.332 0.254 1.00 0.00 C ATOM 693 O VAL A 734 -4.755 2.894 0.790 1.00 0.00 O ATOM 694 CB VAL A 734 -3.646 -0.057 0.960 1.00 0.00 C ATOM 695 CG1 VAL A 734 -3.917 -0.453 -0.483 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.799 -1.108 1.661 1.00 0.00 C ATOM 0 H VAL A 734 -3.559 1.613 3.010 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.974 1.247 0.563 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.602 0.009 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.403 -1.429 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.568 0.288 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -2.975 -0.503 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -3.300 -2.075 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.826 -1.176 1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.663 -0.828 2.706 1.00 0.00 H new ATOM 706 N GLU A 735 -3.439 2.558 -1.005 1.00 0.00 N ATOM 707 CA GLU A 735 -4.162 3.504 -1.848 1.00 0.00 C ATOM 708 C GLU A 735 -5.139 2.776 -2.767 1.00 0.00 C ATOM 709 O GLU A 735 -4.752 2.243 -3.808 1.00 0.00 O ATOM 710 CB GLU A 735 -3.182 4.331 -2.681 1.00 0.00 C ATOM 711 CG GLU A 735 -3.847 5.126 -3.793 1.00 0.00 C ATOM 712 CD GLU A 735 -3.946 4.345 -5.089 1.00 0.00 C ATOM 713 OE1 GLU A 735 -3.170 3.382 -5.262 1.00 0.00 O ATOM 714 OE2 GLU A 735 -4.799 4.697 -5.930 1.00 0.00 O ATOM 0 H GLU A 735 -2.651 2.100 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.728 4.171 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.649 5.018 -2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.437 3.665 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -4.846 5.423 -3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -3.283 6.042 -3.967 1.00 0.00 H new ATOM 721 N LEU A 736 -6.409 2.758 -2.375 1.00 0.00 N ATOM 722 CA LEU A 736 -7.443 2.096 -3.163 1.00 0.00 C ATOM 723 C LEU A 736 -7.378 2.531 -4.623 1.00 0.00 C ATOM 724 O LEU A 736 -6.859 3.602 -4.940 1.00 0.00 O ATOM 725 CB LEU A 736 -8.826 2.405 -2.587 1.00 0.00 C ATOM 726 CG LEU A 736 -9.236 1.599 -1.354 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.410 2.260 -0.650 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.581 0.169 -1.743 1.00 0.00 C ATOM 0 H LEU A 736 -6.747 3.194 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.269 1.021 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.863 3.464 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.568 2.239 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.393 1.573 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.688 1.672 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.127 3.265 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.258 2.317 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.871 -0.390 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.408 0.175 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.712 -0.303 -2.201 1.00 0.00 H new ATOM 740 N HIS A 737 -7.911 1.696 -5.509 1.00 0.00 N ATOM 741 CA HIS A 737 -7.917 1.996 -6.936 1.00 0.00 C ATOM 742 C HIS A 737 -9.182 2.753 -7.327 1.00 0.00 C ATOM 743 O HIS A 737 -9.167 3.576 -8.242 1.00 0.00 O ATOM 744 CB HIS A 737 -7.807 0.706 -7.750 1.00 0.00 C ATOM 745 CG HIS A 737 -6.418 0.149 -7.806 1.00 0.00 C ATOM 746 ND1 HIS A 737 -6.006 -0.750 -8.767 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.343 0.370 -7.014 1.00 0.00 C ATOM 748 CE1 HIS A 737 -4.738 -1.060 -8.562 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.312 -0.393 -7.505 1.00 0.00 N ATOM 0 H HIS A 737 -8.345 0.806 -5.264 1.00 0.00 H new ATOM 0 HA HIS A 737 -7.056 2.628 -7.153 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.473 -0.043 -7.320 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -8.154 0.896 -8.765 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.589 -1.118 -9.519 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -5.303 1.024 -6.156 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -4.150 -1.743 -9.158 1.00 0.00 H new ATOM 757 N SER A 738 -10.277 2.467 -6.629 1.00 0.00 N ATOM 758 CA SER A 738 -11.552 3.117 -6.907 1.00 0.00 C ATOM 759 C SER A 738 -11.557 4.550 -6.381 1.00 0.00 C ATOM 760 O SER A 738 -11.633 5.507 -7.152 1.00 0.00 O ATOM 761 CB SER A 738 -12.700 2.327 -6.276 1.00 0.00 C ATOM 762 OG SER A 738 -12.891 1.089 -6.939 1.00 0.00 O ATOM 0 H SER A 738 -10.306 1.790 -5.867 1.00 0.00 H new ATOM 0 HA SER A 738 -11.690 3.144 -7.988 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.487 2.150 -5.222 1.00 0.00 H new ATOM 0 HB3 SER A 738 -13.618 2.913 -6.322 1.00 0.00 H new ATOM 0 HG SER A 738 -13.629 0.602 -6.516 1.00 0.00 H new ATOM 768 N THR A 739 -11.475 4.689 -5.062 1.00 0.00 N ATOM 769 CA THR A 739 -11.472 6.003 -4.431 1.00 0.00 C ATOM 770 C THR A 739 -10.134 6.706 -4.633 1.00 0.00 C ATOM 771 O THR A 739 -9.987 7.886 -4.310 1.00 0.00 O ATOM 772 CB THR A 739 -11.763 5.903 -2.922 1.00 0.00 C ATOM 773 OG1 THR A 739 -10.796 5.057 -2.291 1.00 0.00 O ATOM 774 CG2 THR A 739 -13.161 5.355 -2.676 1.00 0.00 C ATOM 0 H THR A 739 -11.410 3.908 -4.410 1.00 0.00 H new ATOM 0 HA THR A 739 -12.261 6.584 -4.908 1.00 0.00 H new ATOM 0 HB THR A 739 -11.702 6.904 -2.496 1.00 0.00 H new ATOM 0 HG1 THR A 739 -10.987 5.000 -1.332 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.344 5.293 -1.603 1.00 0.00 H new ATOM 0 HG22 THR A 739 -13.897 6.017 -3.132 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.245 4.361 -3.116 1.00 0.00 H new ATOM 782 N CYS A 740 -9.162 5.976 -5.168 1.00 0.00 N ATOM 783 CA CYS A 740 -7.835 6.530 -5.413 1.00 0.00 C ATOM 784 C CYS A 740 -7.354 7.340 -4.213 1.00 0.00 C ATOM 785 O CYS A 740 -6.800 8.427 -4.369 1.00 0.00 O ATOM 786 CB CYS A 740 -7.850 7.410 -6.664 1.00 0.00 C ATOM 787 SG CYS A 740 -7.545 6.510 -8.202 1.00 0.00 S ATOM 0 H CYS A 740 -9.268 4.999 -5.441 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.145 5.701 -5.569 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -8.817 7.909 -6.733 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -7.096 8.190 -6.556 1.00 0.00 H new ATOM 0 HG CYS A 740 -8.187 5.380 -8.178 1.00 0.00 H new ATOM 793 N GLN A 741 -7.573 6.802 -3.017 1.00 0.00 N ATOM 794 CA GLN A 741 -7.164 7.477 -1.791 1.00 0.00 C ATOM 795 C GLN A 741 -6.434 6.515 -0.858 1.00 0.00 C ATOM 796 O GLN A 741 -6.625 5.301 -0.928 1.00 0.00 O ATOM 797 CB GLN A 741 -8.381 8.071 -1.080 1.00 0.00 C ATOM 798 CG GLN A 741 -9.041 7.113 -0.102 1.00 0.00 C ATOM 799 CD GLN A 741 -10.307 7.682 0.509 1.00 0.00 C ATOM 800 OE1 GLN A 741 -11.142 8.258 -0.189 1.00 0.00 O ATOM 801 NE2 GLN A 741 -10.456 7.524 1.819 1.00 0.00 N ATOM 0 H GLN A 741 -8.031 5.902 -2.871 1.00 0.00 H new ATOM 0 HA GLN A 741 -6.481 8.283 -2.060 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -8.076 8.970 -0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -9.114 8.377 -1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -9.277 6.181 -0.616 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -8.336 6.869 0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -9.739 7.040 2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -11.288 7.887 2.285 1.00 0.00 H new ATOM 810 N THR A 742 -5.597 7.067 0.015 1.00 0.00 N ATOM 811 CA THR A 742 -4.837 6.258 0.960 1.00 0.00 C ATOM 812 C THR A 742 -5.629 6.021 2.241 1.00 0.00 C ATOM 813 O THR A 742 -6.323 6.915 2.727 1.00 0.00 O ATOM 814 CB THR A 742 -3.494 6.924 1.316 1.00 0.00 C ATOM 815 OG1 THR A 742 -2.809 7.314 0.121 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.619 5.977 2.124 1.00 0.00 C ATOM 0 H THR A 742 -5.428 8.070 0.087 1.00 0.00 H new ATOM 0 HA THR A 742 -4.643 5.302 0.474 1.00 0.00 H new ATOM 0 HB THR A 742 -3.699 7.808 1.920 1.00 0.00 H new ATOM 0 HG1 THR A 742 -1.957 7.738 0.356 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.676 6.468 2.364 1.00 0.00 H new ATOM 0 HG22 THR A 742 -3.132 5.706 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.421 5.078 1.541 1.00 0.00 H new ATOM 824 N ILE A 743 -5.520 4.813 2.783 1.00 0.00 N ATOM 825 CA ILE A 743 -6.225 4.460 4.009 1.00 0.00 C ATOM 826 C ILE A 743 -5.411 3.482 4.850 1.00 0.00 C ATOM 827 O ILE A 743 -4.709 2.623 4.316 1.00 0.00 O ATOM 828 CB ILE A 743 -7.601 3.837 3.708 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.439 2.572 2.863 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.494 4.844 2.997 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.586 1.597 3.008 1.00 0.00 C ATOM 0 H ILE A 743 -4.950 4.062 2.393 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.368 5.385 4.568 1.00 0.00 H new ATOM 0 HB ILE A 743 -8.073 3.563 4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.344 2.855 1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.511 2.073 3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.463 4.389 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.632 5.720 3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.028 5.145 2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.403 0.724 2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.669 1.285 4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.514 2.078 2.699 1.00 0.00 H new ATOM 843 N SER A 744 -5.510 3.619 6.168 1.00 0.00 N ATOM 844 CA SER A 744 -4.781 2.749 7.084 1.00 0.00 C ATOM 845 C SER A 744 -5.584 1.489 7.392 1.00 0.00 C ATOM 846 O SER A 744 -6.680 1.559 7.948 1.00 0.00 O ATOM 847 CB SER A 744 -4.460 3.494 8.381 1.00 0.00 C ATOM 848 OG SER A 744 -5.644 3.811 9.093 1.00 0.00 O ATOM 0 H SER A 744 -6.088 4.324 6.626 1.00 0.00 H new ATOM 0 HA SER A 744 -3.849 2.455 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 744 -3.810 2.881 9.005 1.00 0.00 H new ATOM 0 HB3 SER A 744 -3.913 4.409 8.153 1.00 0.00 H new ATOM 0 HG SER A 744 -6.314 3.112 8.942 1.00 0.00 H new ATOM 854 N VAL A 745 -5.030 0.338 7.026 1.00 0.00 N ATOM 855 CA VAL A 745 -5.693 -0.939 7.264 1.00 0.00 C ATOM 856 C VAL A 745 -4.732 -1.952 7.876 1.00 0.00 C ATOM 857 O VAL A 745 -3.551 -1.992 7.528 1.00 0.00 O ATOM 858 CB VAL A 745 -6.274 -1.521 5.962 1.00 0.00 C ATOM 859 CG1 VAL A 745 -6.933 -2.866 6.225 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.262 -0.547 5.338 1.00 0.00 C ATOM 0 H VAL A 745 -4.124 0.263 6.564 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.507 -0.747 7.963 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.457 -1.676 5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.338 -3.261 5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.194 -3.561 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.740 -2.741 6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.663 -0.974 4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -8.077 -0.358 6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.755 0.391 5.111 1.00 0.00 H new ATOM 870 N ASP A 746 -5.245 -2.769 8.789 1.00 0.00 N ATOM 871 CA ASP A 746 -4.432 -3.785 9.449 1.00 0.00 C ATOM 872 C ASP A 746 -3.648 -4.602 8.427 1.00 0.00 C ATOM 873 O ASP A 746 -4.215 -5.119 7.464 1.00 0.00 O ATOM 874 CB ASP A 746 -5.316 -4.708 10.289 1.00 0.00 C ATOM 875 CG ASP A 746 -4.547 -5.386 11.406 1.00 0.00 C ATOM 876 OD1 ASP A 746 -3.646 -6.195 11.100 1.00 0.00 O ATOM 877 OD2 ASP A 746 -4.846 -5.108 12.587 1.00 0.00 O ATOM 0 H ASP A 746 -6.220 -2.748 9.089 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.722 -3.279 10.104 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -6.137 -4.131 10.715 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -5.760 -5.467 9.645 1.00 0.00 H new ATOM 882 N ARG A 747 -2.342 -4.714 8.643 1.00 0.00 N ATOM 883 CA ARG A 747 -1.479 -5.466 7.740 1.00 0.00 C ATOM 884 C ARG A 747 -2.061 -6.848 7.458 1.00 0.00 C ATOM 885 O ARG A 747 -1.827 -7.425 6.396 1.00 0.00 O ATOM 886 CB ARG A 747 -0.077 -5.603 8.335 1.00 0.00 C ATOM 887 CG ARG A 747 0.609 -4.271 8.592 1.00 0.00 C ATOM 888 CD ARG A 747 2.123 -4.409 8.561 1.00 0.00 C ATOM 889 NE ARG A 747 2.666 -4.771 9.867 1.00 0.00 N ATOM 890 CZ ARG A 747 3.901 -5.226 10.048 1.00 0.00 C ATOM 891 NH1 ARG A 747 4.716 -5.372 9.013 1.00 0.00 N ATOM 892 NH2 ARG A 747 4.323 -5.535 11.268 1.00 0.00 N ATOM 0 H ARG A 747 -1.858 -4.293 9.436 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.414 -4.919 6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 747 -0.142 -6.155 9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.539 -6.195 7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.293 -3.547 7.841 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.298 -3.881 9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.403 -5.167 7.829 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.566 -3.469 8.232 1.00 0.00 H new ATOM 0 HE ARG A 747 2.065 -4.669 10.685 1.00 0.00 H new ATOM 0 HH11 ARG A 747 4.396 -5.135 8.074 1.00 0.00 H new ATOM 0 HH12 ARG A 747 5.664 -5.722 9.155 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.699 -5.423 12.067 1.00 0.00 H new ATOM 0 HH22 ARG A 747 5.271 -5.884 11.406 1.00 0.00 H new ATOM 906 N GLN A 748 -2.819 -7.372 8.416 1.00 0.00 N ATOM 907 CA GLN A 748 -3.433 -8.687 8.270 1.00 0.00 C ATOM 908 C GLN A 748 -4.713 -8.601 7.446 1.00 0.00 C ATOM 909 O GLN A 748 -4.966 -9.445 6.586 1.00 0.00 O ATOM 910 CB GLN A 748 -3.736 -9.286 9.645 1.00 0.00 C ATOM 911 CG GLN A 748 -2.537 -9.962 10.291 1.00 0.00 C ATOM 912 CD GLN A 748 -2.295 -11.358 9.754 1.00 0.00 C ATOM 913 OE1 GLN A 748 -3.236 -12.091 9.447 1.00 0.00 O ATOM 914 NE2 GLN A 748 -1.027 -11.736 9.636 1.00 0.00 N ATOM 0 H GLN A 748 -3.023 -6.907 9.301 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.729 -9.334 7.747 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -4.097 -8.497 10.305 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -4.543 -10.012 9.546 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -1.648 -9.354 10.124 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -2.691 -10.013 11.369 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -0.278 -11.097 9.902 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -0.803 -12.665 9.279 1.00 0.00 H new ATOM 923 N ARG A 749 -5.517 -7.578 7.715 1.00 0.00 N ATOM 924 CA ARG A 749 -6.773 -7.384 7.000 1.00 0.00 C ATOM 925 C ARG A 749 -6.537 -7.332 5.493 1.00 0.00 C ATOM 926 O ARG A 749 -7.461 -7.524 4.702 1.00 0.00 O ATOM 927 CB ARG A 749 -7.455 -6.096 7.465 1.00 0.00 C ATOM 928 CG ARG A 749 -8.227 -6.251 8.765 1.00 0.00 C ATOM 929 CD ARG A 749 -9.106 -5.041 9.038 1.00 0.00 C ATOM 930 NE ARG A 749 -9.843 -5.172 10.293 1.00 0.00 N ATOM 931 CZ ARG A 749 -10.927 -4.463 10.586 1.00 0.00 C ATOM 932 NH1 ARG A 749 -11.398 -3.577 9.719 1.00 0.00 N ATOM 933 NH2 ARG A 749 -11.542 -4.639 11.749 1.00 0.00 N ATOM 0 H ARG A 749 -5.321 -6.870 8.423 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.423 -8.231 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.700 -5.320 7.591 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -8.137 -5.754 6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.845 -7.148 8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.528 -6.388 9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -8.488 -4.144 9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -9.810 -4.911 8.216 1.00 0.00 H new ATOM 0 HE ARG A 749 -9.506 -5.845 10.982 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -10.928 -3.439 8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -12.231 -3.034 9.947 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -11.182 -5.319 12.418 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -12.375 -4.094 11.973 1.00 0.00 H new ATOM 947 N LEU A 750 -5.294 -7.070 5.103 1.00 0.00 N ATOM 948 CA LEU A 750 -4.937 -6.992 3.690 1.00 0.00 C ATOM 949 C LEU A 750 -4.538 -8.363 3.153 1.00 0.00 C ATOM 950 O LEU A 750 -3.780 -9.095 3.790 1.00 0.00 O ATOM 951 CB LEU A 750 -3.790 -6.000 3.489 1.00 0.00 C ATOM 952 CG LEU A 750 -4.013 -4.594 4.047 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.689 -3.858 4.186 1.00 0.00 C ATOM 954 CD2 LEU A 750 -4.969 -3.812 3.159 1.00 0.00 C ATOM 0 H LEU A 750 -4.517 -6.908 5.744 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.811 -6.646 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -2.893 -6.414 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.590 -5.918 2.421 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.461 -4.684 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -2.868 -2.859 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -2.037 -4.408 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.212 -3.779 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.115 -2.814 3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.550 -3.732 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -5.927 -4.329 3.112 1.00 0.00 H new ATOM 966 N THR A 751 -5.053 -8.704 1.976 1.00 0.00 N ATOM 967 CA THR A 751 -4.750 -9.986 1.352 1.00 0.00 C ATOM 968 C THR A 751 -3.997 -9.795 0.041 1.00 0.00 C ATOM 969 O THR A 751 -4.602 -9.684 -1.026 1.00 0.00 O ATOM 970 CB THR A 751 -6.033 -10.795 1.080 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.738 -11.021 2.306 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.703 -12.128 0.426 1.00 0.00 C ATOM 0 H THR A 751 -5.682 -8.110 1.436 1.00 0.00 H new ATOM 0 HA THR A 751 -4.122 -10.538 2.052 1.00 0.00 H new ATOM 0 HB THR A 751 -6.662 -10.220 0.400 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.553 -11.534 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.624 -12.682 0.244 1.00 0.00 H new ATOM 0 HG22 THR A 751 -5.192 -11.952 -0.520 1.00 0.00 H new ATOM 0 HG23 THR A 751 -5.056 -12.707 1.086 1.00 0.00 H new ATOM 980 N THR A 752 -2.670 -9.757 0.126 1.00 0.00 N ATOM 981 CA THR A 752 -1.833 -9.579 -1.054 1.00 0.00 C ATOM 982 C THR A 752 -2.421 -10.303 -2.259 1.00 0.00 C ATOM 983 O THR A 752 -2.563 -11.526 -2.253 1.00 0.00 O ATOM 984 CB THR A 752 -0.401 -10.092 -0.809 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.442 -11.355 -0.135 1.00 0.00 O ATOM 986 CG2 THR A 752 0.397 -9.095 0.017 1.00 0.00 C ATOM 0 H THR A 752 -2.152 -9.847 1.000 1.00 0.00 H new ATOM 0 HA THR A 752 -1.798 -8.509 -1.258 1.00 0.00 H new ATOM 0 HB THR A 752 0.089 -10.213 -1.775 1.00 0.00 H new ATOM 0 HG1 THR A 752 -1.102 -11.935 -0.568 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.405 -9.479 0.177 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.451 -8.144 -0.513 1.00 0.00 H new ATOM 0 HG23 THR A 752 -0.092 -8.946 0.980 1.00 0.00 H new ATOM 994 N VAL A 753 -2.761 -9.541 -3.294 1.00 0.00 N ATOM 995 CA VAL A 753 -3.333 -10.111 -4.508 1.00 0.00 C ATOM 996 C VAL A 753 -2.319 -10.988 -5.233 1.00 0.00 C ATOM 997 O VAL A 753 -2.501 -12.200 -5.349 1.00 0.00 O ATOM 998 CB VAL A 753 -3.822 -9.010 -5.468 1.00 0.00 C ATOM 999 CG1 VAL A 753 -4.353 -9.622 -6.756 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -4.884 -8.152 -4.797 1.00 0.00 C ATOM 0 H VAL A 753 -2.650 -8.527 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 753 -4.183 -10.720 -4.202 1.00 0.00 H new ATOM 0 HB VAL A 753 -2.977 -8.370 -5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -4.694 -8.829 -7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.560 -10.189 -7.243 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -5.186 -10.287 -6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -5.218 -7.379 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.731 -8.777 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -4.465 -7.684 -3.906 1.00 0.00 H new