USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=17 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 Single : A 703 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 708 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.41) USER MOD Single : A 709 THR OG1 : rot 180:sc= 0 USER MOD Single : A 713 SER OG : rot 180:sc= 0 USER MOD Single : A 714 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 717 TYR OH : rot 180:sc= 0 USER MOD Single : A 718 LYS NZ :NH3+ 159:sc= -0.105 (180deg=-0.468) USER MOD Single : A 720 TYR OH : rot 180:sc= 0 USER MOD Single : A 725 LYS NZ :NH3+ 179:sc= 0.0808 (180deg=0.0808) USER MOD Single : A 728 THR OG1 : rot 180:sc= 0 USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 731 THR OG1 : rot 180:sc= -0.886 USER MOD Single : A 737 HIS : no HE2:sc= -3.38! C(o=-3.4!,f=-7.1!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot 180:sc= 0 USER MOD Single : A 740 CYS SG : rot 23:sc= 0.0212 USER MOD Single : A 741 GLN : amide:sc= -0.0444 K(o=-0.044,f=-1.5!) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 29:sc= 0.431 USER MOD Single : A 748 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 THR OG1 : rot 42:sc= 0.0226 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 9.587 -1.335 3.451 1.00 0.00 N ATOM 217 CA ASN A 703 9.090 -0.679 2.248 1.00 0.00 C ATOM 218 C ASN A 703 8.970 -1.672 1.096 1.00 0.00 C ATOM 219 O ASN A 703 8.342 -1.384 0.078 1.00 0.00 O ATOM 220 CB ASN A 703 10.016 0.472 1.849 1.00 0.00 C ATOM 221 CG ASN A 703 11.338 -0.018 1.290 1.00 0.00 C ATOM 222 OD1 ASN A 703 12.088 -0.723 1.965 1.00 0.00 O ATOM 223 ND2 ASN A 703 11.630 0.356 0.049 1.00 0.00 N ATOM 0 HA ASN A 703 8.099 -0.281 2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 703 9.518 1.094 1.105 1.00 0.00 H new ATOM 0 HB3 ASN A 703 10.203 1.102 2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 703 12.506 0.058 -0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 703 10.978 0.941 -0.474 1.00 0.00 H new ATOM 230 N GLU A 704 9.576 -2.843 1.266 1.00 0.00 N ATOM 231 CA GLU A 704 9.538 -3.879 0.241 1.00 0.00 C ATOM 232 C GLU A 704 8.100 -4.184 -0.170 1.00 0.00 C ATOM 233 O GLU A 704 7.856 -4.798 -1.210 1.00 0.00 O ATOM 234 CB GLU A 704 10.217 -5.153 0.746 1.00 0.00 C ATOM 235 CG GLU A 704 10.632 -6.103 -0.365 1.00 0.00 C ATOM 236 CD GLU A 704 11.821 -6.963 0.017 1.00 0.00 C ATOM 237 OE1 GLU A 704 11.607 -8.042 0.608 1.00 0.00 O ATOM 238 OE2 GLU A 704 12.966 -6.558 -0.276 1.00 0.00 O ATOM 0 H GLU A 704 10.099 -3.098 2.104 1.00 0.00 H new ATOM 0 HA GLU A 704 10.077 -3.511 -0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 704 11.098 -4.879 1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 704 9.538 -5.673 1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 704 9.790 -6.746 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 704 10.876 -5.527 -1.258 1.00 0.00 H new ATOM 245 N LEU A 705 7.152 -3.753 0.654 1.00 0.00 N ATOM 246 CA LEU A 705 5.737 -3.980 0.378 1.00 0.00 C ATOM 247 C LEU A 705 5.081 -2.719 -0.176 1.00 0.00 C ATOM 248 O LEU A 705 3.998 -2.776 -0.759 1.00 0.00 O ATOM 249 CB LEU A 705 5.015 -4.428 1.650 1.00 0.00 C ATOM 250 CG LEU A 705 3.495 -4.559 1.548 1.00 0.00 C ATOM 251 CD1 LEU A 705 3.119 -5.772 0.710 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.873 -4.652 2.933 1.00 0.00 C ATOM 0 H LEU A 705 7.337 -3.244 1.519 1.00 0.00 H new ATOM 0 HA LEU A 705 5.660 -4.767 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 705 5.423 -5.392 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 705 5.246 -3.718 2.444 1.00 0.00 H new ATOM 0 HG LEU A 705 3.105 -3.668 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 705 2.033 -5.849 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.533 -5.664 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 705 3.521 -6.673 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.791 -4.745 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 705 3.269 -5.525 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 705 3.113 -3.753 3.501 1.00 0.00 H new ATOM 264 N ILE A 706 5.745 -1.583 0.009 1.00 0.00 N ATOM 265 CA ILE A 706 5.228 -0.309 -0.475 1.00 0.00 C ATOM 266 C ILE A 706 5.220 -0.263 -1.999 1.00 0.00 C ATOM 267 O ILE A 706 6.259 -0.074 -2.630 1.00 0.00 O ATOM 268 CB ILE A 706 6.056 0.874 0.060 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.738 1.121 1.536 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.784 2.125 -0.763 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.414 -0.141 2.304 1.00 0.00 C ATOM 0 H ILE A 706 6.642 -1.519 0.490 1.00 0.00 H new ATOM 0 HA ILE A 706 4.206 -0.222 -0.106 1.00 0.00 H new ATOM 0 HB ILE A 706 7.114 0.628 -0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.590 1.614 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 706 4.894 1.807 1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.376 2.953 -0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 706 6.056 1.943 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.725 2.377 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 706 5.199 0.110 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.544 -0.624 1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.266 -0.820 2.264 1.00 0.00 H new ATOM 283 N GLY A 707 4.039 -0.434 -2.585 1.00 0.00 N ATOM 284 CA GLY A 707 3.917 -0.407 -4.031 1.00 0.00 C ATOM 285 C GLY A 707 3.300 -1.675 -4.585 1.00 0.00 C ATOM 286 O GLY A 707 3.011 -1.762 -5.778 1.00 0.00 O ATOM 0 H GLY A 707 3.164 -0.591 -2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.308 0.448 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.903 -0.263 -4.473 1.00 0.00 H new ATOM 290 N GLN A 708 3.100 -2.662 -3.718 1.00 0.00 N ATOM 291 CA GLN A 708 2.516 -3.933 -4.129 1.00 0.00 C ATOM 292 C GLN A 708 1.002 -3.815 -4.275 1.00 0.00 C ATOM 293 O GLN A 708 0.402 -2.826 -3.853 1.00 0.00 O ATOM 294 CB GLN A 708 2.859 -5.027 -3.116 1.00 0.00 C ATOM 295 CG GLN A 708 4.349 -5.160 -2.845 1.00 0.00 C ATOM 296 CD GLN A 708 5.164 -5.289 -4.117 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.748 -5.948 -5.070 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.333 -4.659 -4.137 1.00 0.00 N ATOM 0 H GLN A 708 3.334 -2.606 -2.727 1.00 0.00 H new ATOM 0 HA GLN A 708 2.936 -4.201 -5.099 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.345 -4.816 -2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.478 -5.981 -3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.692 -4.290 -2.285 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.524 -6.033 -2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.638 -4.124 -3.324 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.926 -4.710 -4.965 1.00 0.00 H new ATOM 307 N THR A 709 0.389 -4.831 -4.874 1.00 0.00 N ATOM 308 CA THR A 709 -1.054 -4.840 -5.077 1.00 0.00 C ATOM 309 C THR A 709 -1.745 -5.749 -4.067 1.00 0.00 C ATOM 310 O THR A 709 -1.687 -6.974 -4.177 1.00 0.00 O ATOM 311 CB THR A 709 -1.418 -5.304 -6.501 1.00 0.00 C ATOM 312 OG1 THR A 709 -0.930 -4.361 -7.462 1.00 0.00 O ATOM 313 CG2 THR A 709 -2.924 -5.455 -6.651 1.00 0.00 C ATOM 0 H THR A 709 0.870 -5.658 -5.227 1.00 0.00 H new ATOM 0 HA THR A 709 -1.400 -3.816 -4.937 1.00 0.00 H new ATOM 0 HB THR A 709 -0.952 -6.274 -6.675 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.163 -4.663 -8.365 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.158 -5.783 -7.664 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.289 -6.194 -5.937 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.407 -4.497 -6.460 1.00 0.00 H new ATOM 321 N VAL A 710 -2.400 -5.142 -3.083 1.00 0.00 N ATOM 322 CA VAL A 710 -3.105 -5.896 -2.053 1.00 0.00 C ATOM 323 C VAL A 710 -4.615 -5.751 -2.203 1.00 0.00 C ATOM 324 O VAL A 710 -5.100 -4.799 -2.813 1.00 0.00 O ATOM 325 CB VAL A 710 -2.693 -5.439 -0.641 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.213 -5.697 -0.407 1.00 0.00 C ATOM 327 CG2 VAL A 710 -3.024 -3.968 -0.441 1.00 0.00 C ATOM 0 H VAL A 710 -2.457 -4.129 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 710 -2.829 -6.943 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.258 -6.018 0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -0.940 -5.368 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.009 -6.763 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.627 -5.145 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.727 -3.661 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.487 -3.371 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.096 -3.816 -0.564 1.00 0.00 H new ATOM 337 N ARG A 711 -5.353 -6.702 -1.640 1.00 0.00 N ATOM 338 CA ARG A 711 -6.810 -6.681 -1.711 1.00 0.00 C ATOM 339 C ARG A 711 -7.424 -6.838 -0.323 1.00 0.00 C ATOM 340 O ARG A 711 -7.263 -7.873 0.324 1.00 0.00 O ATOM 341 CB ARG A 711 -7.313 -7.794 -2.632 1.00 0.00 C ATOM 342 CG ARG A 711 -8.826 -7.933 -2.649 1.00 0.00 C ATOM 343 CD ARG A 711 -9.258 -9.253 -3.269 1.00 0.00 C ATOM 344 NE ARG A 711 -9.451 -9.142 -4.713 1.00 0.00 N ATOM 345 CZ ARG A 711 -10.402 -8.402 -5.272 1.00 0.00 C ATOM 346 NH1 ARG A 711 -11.242 -7.712 -4.513 1.00 0.00 N ATOM 347 NH2 ARG A 711 -10.515 -8.352 -6.593 1.00 0.00 N ATOM 0 H ARG A 711 -4.967 -7.496 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.115 -5.717 -2.118 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -6.963 -7.601 -3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -6.873 -8.741 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.210 -7.865 -1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.262 -7.106 -3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -8.506 -10.014 -3.061 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -10.186 -9.586 -2.804 1.00 0.00 H new ATOM 0 HE ARG A 711 -8.821 -9.661 -5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -11.159 -7.749 -3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -11.971 -7.145 -4.945 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -9.871 -8.882 -7.180 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -11.246 -7.783 -7.021 1.00 0.00 H new ATOM 361 N ILE A 712 -8.127 -5.805 0.127 1.00 0.00 N ATOM 362 CA ILE A 712 -8.765 -5.829 1.437 1.00 0.00 C ATOM 363 C ILE A 712 -9.761 -6.979 1.543 1.00 0.00 C ATOM 364 O ILE A 712 -10.457 -7.301 0.580 1.00 0.00 O ATOM 365 CB ILE A 712 -9.495 -4.504 1.732 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.485 -3.365 1.890 1.00 0.00 C ATOM 367 CG2 ILE A 712 -10.350 -4.638 2.983 1.00 0.00 C ATOM 368 CD1 ILE A 712 -9.073 -1.997 1.624 1.00 0.00 C ATOM 0 H ILE A 712 -8.269 -4.941 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 712 -7.972 -5.970 2.171 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.149 -4.271 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -8.079 -3.387 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.651 -3.532 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.859 -3.694 3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -11.089 -5.426 2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.715 -4.890 3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -8.302 -1.238 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.453 -1.957 0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.888 -1.809 2.323 1.00 0.00 H new ATOM 380 N SER A 713 -9.824 -7.593 2.720 1.00 0.00 N ATOM 381 CA SER A 713 -10.734 -8.709 2.952 1.00 0.00 C ATOM 382 C SER A 713 -11.733 -8.376 4.055 1.00 0.00 C ATOM 383 O SER A 713 -12.865 -8.859 4.048 1.00 0.00 O ATOM 384 CB SER A 713 -9.946 -9.967 3.324 1.00 0.00 C ATOM 385 OG SER A 713 -10.810 -10.991 3.788 1.00 0.00 O ATOM 0 H SER A 713 -9.256 -7.337 3.528 1.00 0.00 H new ATOM 0 HA SER A 713 -11.286 -8.893 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 713 -9.390 -10.322 2.456 1.00 0.00 H new ATOM 0 HB3 SER A 713 -9.214 -9.727 4.095 1.00 0.00 H new ATOM 0 HG SER A 713 -10.283 -11.785 4.018 1.00 0.00 H new ATOM 391 N GLN A 714 -11.305 -7.546 5.002 1.00 0.00 N ATOM 392 CA GLN A 714 -12.161 -7.149 6.113 1.00 0.00 C ATOM 393 C GLN A 714 -12.521 -5.669 6.020 1.00 0.00 C ATOM 394 O GLN A 714 -11.989 -4.942 5.182 1.00 0.00 O ATOM 395 CB GLN A 714 -11.469 -7.435 7.446 1.00 0.00 C ATOM 396 CG GLN A 714 -11.292 -8.917 7.734 1.00 0.00 C ATOM 397 CD GLN A 714 -12.542 -9.553 8.309 1.00 0.00 C ATOM 398 OE1 GLN A 714 -12.860 -9.371 9.485 1.00 0.00 O ATOM 399 NE2 GLN A 714 -13.259 -10.305 7.482 1.00 0.00 N ATOM 0 H GLN A 714 -10.371 -7.136 5.021 1.00 0.00 H new ATOM 0 HA GLN A 714 -13.080 -7.732 6.057 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -10.491 -6.954 7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -12.049 -6.984 8.251 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -11.018 -9.432 6.813 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -10.466 -9.051 8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -12.959 -10.429 6.515 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -14.110 -10.759 7.814 1.00 0.00 H new ATOM 408 N GLY A 715 -13.428 -5.230 6.887 1.00 0.00 N ATOM 409 CA GLY A 715 -13.843 -3.840 6.886 1.00 0.00 C ATOM 410 C GLY A 715 -14.876 -3.544 5.817 1.00 0.00 C ATOM 411 O GLY A 715 -15.281 -4.422 5.055 1.00 0.00 O ATOM 0 H GLY A 715 -13.883 -5.812 7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -14.253 -3.586 7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.972 -3.204 6.731 1.00 0.00 H new ATOM 415 N PRO A 716 -15.322 -2.281 5.752 1.00 0.00 N ATOM 416 CA PRO A 716 -16.321 -1.842 4.773 1.00 0.00 C ATOM 417 C PRO A 716 -15.770 -1.825 3.351 1.00 0.00 C ATOM 418 O PRO A 716 -16.514 -1.629 2.390 1.00 0.00 O ATOM 419 CB PRO A 716 -16.667 -0.423 5.230 1.00 0.00 C ATOM 420 CG PRO A 716 -15.461 0.041 5.972 1.00 0.00 C ATOM 421 CD PRO A 716 -14.884 -1.182 6.630 1.00 0.00 C ATOM 0 HA PRO A 716 -17.179 -2.513 4.737 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.883 0.225 4.380 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -17.551 -0.417 5.868 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -14.739 0.498 5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -15.725 0.795 6.713 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.797 -1.128 6.695 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -15.258 -1.306 7.646 1.00 0.00 H new ATOM 429 N TYR A 717 -14.464 -2.030 3.226 1.00 0.00 N ATOM 430 CA TYR A 717 -13.814 -2.035 1.921 1.00 0.00 C ATOM 431 C TYR A 717 -13.426 -3.453 1.511 1.00 0.00 C ATOM 432 O TYR A 717 -12.477 -3.656 0.753 1.00 0.00 O ATOM 433 CB TYR A 717 -12.572 -1.142 1.942 1.00 0.00 C ATOM 434 CG TYR A 717 -12.856 0.278 2.379 1.00 0.00 C ATOM 435 CD1 TYR A 717 -12.879 0.620 3.725 1.00 0.00 C ATOM 436 CD2 TYR A 717 -13.101 1.277 1.445 1.00 0.00 C ATOM 437 CE1 TYR A 717 -13.138 1.915 4.129 1.00 0.00 C ATOM 438 CE2 TYR A 717 -13.359 2.575 1.839 1.00 0.00 C ATOM 439 CZ TYR A 717 -13.377 2.890 3.182 1.00 0.00 C ATOM 440 OH TYR A 717 -13.636 4.182 3.578 1.00 0.00 O ATOM 0 H TYR A 717 -13.835 -2.195 4.012 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.522 -1.645 1.190 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.832 -1.579 2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -12.129 -1.125 0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -12.691 -0.140 4.469 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -13.089 1.034 0.393 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -13.153 2.163 5.180 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -13.546 3.340 1.100 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.781 4.743 2.788 1.00 0.00 H new ATOM 450 N LYS A 718 -14.169 -4.432 2.017 1.00 0.00 N ATOM 451 CA LYS A 718 -13.907 -5.832 1.704 1.00 0.00 C ATOM 452 C LYS A 718 -14.043 -6.089 0.207 1.00 0.00 C ATOM 453 O LYS A 718 -15.031 -5.698 -0.412 1.00 0.00 O ATOM 454 CB LYS A 718 -14.868 -6.737 2.478 1.00 0.00 C ATOM 455 CG LYS A 718 -14.898 -8.168 1.970 1.00 0.00 C ATOM 456 CD LYS A 718 -15.653 -9.082 2.920 1.00 0.00 C ATOM 457 CE LYS A 718 -17.157 -8.887 2.805 1.00 0.00 C ATOM 458 NZ LYS A 718 -17.666 -9.280 1.462 1.00 0.00 N ATOM 0 H LYS A 718 -14.958 -4.281 2.646 1.00 0.00 H new ATOM 0 HA LYS A 718 -12.884 -6.060 2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.583 -6.740 3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -15.873 -6.319 2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.368 -8.196 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -13.878 -8.533 1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.402 -10.120 2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -15.337 -8.885 3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -17.659 -9.478 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -17.403 -7.842 2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -18.686 -9.476 1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -17.501 -8.506 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -17.168 -10.133 1.138 1.00 0.00 H new ATOM 472 N GLY A 719 -13.045 -6.752 -0.368 1.00 0.00 N ATOM 473 CA GLY A 719 -13.074 -7.052 -1.788 1.00 0.00 C ATOM 474 C GLY A 719 -12.655 -5.869 -2.639 1.00 0.00 C ATOM 475 O GLY A 719 -13.213 -5.638 -3.711 1.00 0.00 O ATOM 0 H GLY A 719 -12.217 -7.087 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.413 -7.895 -1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.080 -7.361 -2.071 1.00 0.00 H new ATOM 479 N TYR A 720 -11.670 -5.117 -2.160 1.00 0.00 N ATOM 480 CA TYR A 720 -11.179 -3.949 -2.882 1.00 0.00 C ATOM 481 C TYR A 720 -9.671 -4.035 -3.095 1.00 0.00 C ATOM 482 O TYR A 720 -8.936 -4.505 -2.226 1.00 0.00 O ATOM 483 CB TYR A 720 -11.527 -2.669 -2.120 1.00 0.00 C ATOM 484 CG TYR A 720 -12.945 -2.197 -2.344 1.00 0.00 C ATOM 485 CD1 TYR A 720 -14.028 -2.986 -1.976 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.203 -0.961 -2.924 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.326 -2.559 -2.180 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.498 -0.525 -3.130 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.555 -1.328 -2.757 1.00 0.00 C ATOM 490 OH TYR A 720 -16.847 -0.898 -2.961 1.00 0.00 O ATOM 0 H TYR A 720 -11.196 -5.295 -1.275 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.664 -3.925 -3.858 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.373 -2.838 -1.054 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.839 -1.879 -2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -13.852 -3.950 -1.522 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.377 -0.330 -3.219 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.156 -3.186 -1.889 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.681 0.439 -3.581 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.835 -0.010 -3.376 1.00 0.00 H new ATOM 500 N ILE A 721 -9.217 -3.575 -4.256 1.00 0.00 N ATOM 501 CA ILE A 721 -7.797 -3.598 -4.583 1.00 0.00 C ATOM 502 C ILE A 721 -7.142 -2.255 -4.279 1.00 0.00 C ATOM 503 O ILE A 721 -7.766 -1.203 -4.413 1.00 0.00 O ATOM 504 CB ILE A 721 -7.566 -3.944 -6.066 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.274 -5.253 -6.422 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.077 -4.045 -6.361 1.00 0.00 C ATOM 507 CD1 ILE A 721 -7.667 -6.469 -5.758 1.00 0.00 C ATOM 0 H ILE A 721 -9.812 -3.182 -4.985 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.343 -4.371 -3.963 1.00 0.00 H new ATOM 0 HB ILE A 721 -7.985 -3.146 -6.680 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.323 -5.179 -6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.248 -5.388 -7.503 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -5.930 -4.290 -7.413 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.597 -3.092 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.636 -4.826 -5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.220 -7.360 -6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -6.626 -6.569 -6.064 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -7.718 -6.356 -4.675 1.00 0.00 H new ATOM 519 N GLY A 722 -5.877 -2.298 -3.870 1.00 0.00 N ATOM 520 CA GLY A 722 -5.157 -1.078 -3.555 1.00 0.00 C ATOM 521 C GLY A 722 -3.657 -1.288 -3.500 1.00 0.00 C ATOM 522 O GLY A 722 -3.183 -2.423 -3.437 1.00 0.00 O ATOM 0 H GLY A 722 -5.338 -3.156 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.387 -0.320 -4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.502 -0.693 -2.595 1.00 0.00 H new ATOM 526 N VAL A 723 -2.906 -0.192 -3.526 1.00 0.00 N ATOM 527 CA VAL A 723 -1.451 -0.260 -3.479 1.00 0.00 C ATOM 528 C VAL A 723 -0.918 0.265 -2.151 1.00 0.00 C ATOM 529 O VAL A 723 -1.259 1.369 -1.726 1.00 0.00 O ATOM 530 CB VAL A 723 -0.814 0.543 -4.629 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.666 0.776 -4.362 1.00 0.00 C ATOM 532 CG2 VAL A 723 -1.019 -0.173 -5.955 1.00 0.00 C ATOM 0 H VAL A 723 -3.282 0.755 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.180 -1.310 -3.585 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.305 1.514 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.099 1.345 -5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 723 0.785 1.334 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.176 -0.184 -4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.563 0.408 -6.757 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.555 -1.158 -5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -2.086 -0.282 -6.148 1.00 0.00 H new ATOM 542 N VAL A 724 -0.078 -0.533 -1.499 1.00 0.00 N ATOM 543 CA VAL A 724 0.504 -0.149 -0.219 1.00 0.00 C ATOM 544 C VAL A 724 1.415 1.064 -0.372 1.00 0.00 C ATOM 545 O VAL A 724 2.502 0.971 -0.943 1.00 0.00 O ATOM 546 CB VAL A 724 1.309 -1.306 0.402 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.786 -0.936 1.798 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.474 -2.577 0.435 1.00 0.00 C ATOM 0 H VAL A 724 0.215 -1.450 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.325 0.103 0.443 1.00 0.00 H new ATOM 0 HB VAL A 724 2.186 -1.490 -0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.353 -1.766 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.422 -0.053 1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 724 0.925 -0.724 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 724 1.058 -3.385 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.422 -2.408 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.187 -2.850 -0.580 1.00 0.00 H new ATOM 558 N LYS A 725 0.965 2.204 0.142 1.00 0.00 N ATOM 559 CA LYS A 725 1.739 3.437 0.065 1.00 0.00 C ATOM 560 C LYS A 725 2.735 3.527 1.218 1.00 0.00 C ATOM 561 O LYS A 725 3.862 3.990 1.042 1.00 0.00 O ATOM 562 CB LYS A 725 0.807 4.651 0.086 1.00 0.00 C ATOM 563 CG LYS A 725 -0.340 4.553 -0.904 1.00 0.00 C ATOM 564 CD LYS A 725 0.032 5.151 -2.250 1.00 0.00 C ATOM 565 CE LYS A 725 0.636 4.106 -3.176 1.00 0.00 C ATOM 566 NZ LYS A 725 1.099 4.703 -4.459 1.00 0.00 N ATOM 0 H LYS A 725 0.067 2.299 0.617 1.00 0.00 H new ATOM 0 HA LYS A 725 2.295 3.430 -0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.400 4.769 1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 725 1.387 5.548 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.621 3.508 -1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -1.212 5.070 -0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 725 -0.854 5.582 -2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 725 0.743 5.964 -2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 725 1.475 3.621 -2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 725 -0.104 3.332 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 1.519 3.962 -5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 0.291 5.129 -4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 1.811 5.436 -4.264 1.00 0.00 H new ATOM 580 N ASP A 726 2.311 3.081 2.395 1.00 0.00 N ATOM 581 CA ASP A 726 3.167 3.109 3.576 1.00 0.00 C ATOM 582 C ASP A 726 2.902 1.900 4.467 1.00 0.00 C ATOM 583 O ASP A 726 1.787 1.382 4.514 1.00 0.00 O ATOM 584 CB ASP A 726 2.940 4.399 4.366 1.00 0.00 C ATOM 585 CG ASP A 726 4.179 4.843 5.119 1.00 0.00 C ATOM 586 OD1 ASP A 726 5.003 3.972 5.470 1.00 0.00 O ATOM 587 OD2 ASP A 726 4.325 6.060 5.355 1.00 0.00 O ATOM 0 H ASP A 726 1.381 2.696 2.557 1.00 0.00 H new ATOM 0 HA ASP A 726 4.204 3.073 3.244 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.631 5.190 3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.123 4.250 5.072 1.00 0.00 H new ATOM 592 N ALA A 727 3.937 1.453 5.172 1.00 0.00 N ATOM 593 CA ALA A 727 3.816 0.306 6.063 1.00 0.00 C ATOM 594 C ALA A 727 3.866 0.737 7.525 1.00 0.00 C ATOM 595 O ALA A 727 4.867 1.285 7.988 1.00 0.00 O ATOM 596 CB ALA A 727 4.915 -0.706 5.771 1.00 0.00 C ATOM 0 H ALA A 727 4.868 1.868 5.143 1.00 0.00 H new ATOM 0 HA ALA A 727 2.848 -0.162 5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.813 -1.558 6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.831 -1.046 4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.889 -0.239 5.921 1.00 0.00 H new ATOM 602 N THR A 728 2.779 0.488 8.248 1.00 0.00 N ATOM 603 CA THR A 728 2.698 0.852 9.657 1.00 0.00 C ATOM 604 C THR A 728 2.837 -0.375 10.551 1.00 0.00 C ATOM 605 O THR A 728 2.556 -1.496 10.129 1.00 0.00 O ATOM 606 CB THR A 728 1.368 1.559 9.979 1.00 0.00 C ATOM 607 OG1 THR A 728 0.913 2.292 8.835 1.00 0.00 O ATOM 608 CG2 THR A 728 1.529 2.503 11.161 1.00 0.00 C ATOM 0 H THR A 728 1.942 0.035 7.881 1.00 0.00 H new ATOM 0 HA THR A 728 3.523 1.537 9.854 1.00 0.00 H new ATOM 0 HB THR A 728 0.632 0.799 10.239 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.066 2.737 9.047 1.00 0.00 H new ATOM 0 HG21 THR A 728 0.577 2.991 11.370 1.00 0.00 H new ATOM 0 HG22 THR A 728 1.847 1.938 12.037 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.279 3.258 10.924 1.00 0.00 H new ATOM 616 N GLU A 729 3.273 -0.154 11.787 1.00 0.00 N ATOM 617 CA GLU A 729 3.449 -1.243 12.740 1.00 0.00 C ATOM 618 C GLU A 729 2.273 -2.214 12.681 1.00 0.00 C ATOM 619 O GLU A 729 2.391 -3.316 12.146 1.00 0.00 O ATOM 620 CB GLU A 729 3.597 -0.690 14.159 1.00 0.00 C ATOM 621 CG GLU A 729 3.669 -1.768 15.228 1.00 0.00 C ATOM 622 CD GLU A 729 3.491 -1.214 16.628 1.00 0.00 C ATOM 623 OE1 GLU A 729 4.414 -0.530 17.118 1.00 0.00 O ATOM 624 OE2 GLU A 729 2.428 -1.464 17.234 1.00 0.00 O ATOM 0 H GLU A 729 3.511 0.769 12.151 1.00 0.00 H new ATOM 0 HA GLU A 729 4.357 -1.783 12.471 1.00 0.00 H new ATOM 0 HB2 GLU A 729 4.498 -0.079 14.210 1.00 0.00 H new ATOM 0 HB3 GLU A 729 2.754 -0.033 14.374 1.00 0.00 H new ATOM 0 HG2 GLU A 729 2.900 -2.516 15.037 1.00 0.00 H new ATOM 0 HG3 GLU A 729 4.631 -2.276 15.162 1.00 0.00 H new ATOM 631 N SER A 730 1.140 -1.796 13.235 1.00 0.00 N ATOM 632 CA SER A 730 -0.057 -2.629 13.249 1.00 0.00 C ATOM 633 C SER A 730 -1.058 -2.160 12.198 1.00 0.00 C ATOM 634 O SER A 730 -2.261 -2.395 12.319 1.00 0.00 O ATOM 635 CB SER A 730 -0.705 -2.603 14.635 1.00 0.00 C ATOM 636 OG SER A 730 0.098 -3.280 15.586 1.00 0.00 O ATOM 0 H SER A 730 1.025 -0.885 13.680 1.00 0.00 H new ATOM 0 HA SER A 730 0.239 -3.651 13.013 1.00 0.00 H new ATOM 0 HB2 SER A 730 -0.855 -1.570 14.950 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.690 -3.068 14.588 1.00 0.00 H new ATOM 0 HG SER A 730 -0.337 -3.248 16.464 1.00 0.00 H new ATOM 642 N THR A 731 -0.553 -1.493 11.164 1.00 0.00 N ATOM 643 CA THR A 731 -1.401 -0.989 10.091 1.00 0.00 C ATOM 644 C THR A 731 -0.598 -0.760 8.817 1.00 0.00 C ATOM 645 O THR A 731 0.627 -0.876 8.815 1.00 0.00 O ATOM 646 CB THR A 731 -2.092 0.328 10.493 1.00 0.00 C ATOM 647 OG1 THR A 731 -1.268 1.052 11.413 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.449 0.056 11.125 1.00 0.00 C ATOM 0 H THR A 731 0.440 -1.290 11.048 1.00 0.00 H new ATOM 0 HA THR A 731 -2.161 -1.748 9.906 1.00 0.00 H new ATOM 0 HB THR A 731 -2.241 0.924 9.593 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.713 1.889 11.662 1.00 0.00 H new ATOM 0 HG21 THR A 731 -3.918 1.001 11.401 1.00 0.00 H new ATOM 0 HG22 THR A 731 -4.084 -0.470 10.412 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.319 -0.558 12.016 1.00 0.00 H new ATOM 656 N ALA A 732 -1.295 -0.434 7.733 1.00 0.00 N ATOM 657 CA ALA A 732 -0.646 -0.186 6.452 1.00 0.00 C ATOM 658 C ALA A 732 -1.448 0.801 5.612 1.00 0.00 C ATOM 659 O ALA A 732 -2.617 0.563 5.304 1.00 0.00 O ATOM 660 CB ALA A 732 -0.454 -1.492 5.696 1.00 0.00 C ATOM 0 H ALA A 732 -2.310 -0.336 7.717 1.00 0.00 H new ATOM 0 HA ALA A 732 0.332 0.255 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 732 0.032 -1.292 4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 732 0.168 -2.166 6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.424 -1.956 5.519 1.00 0.00 H new ATOM 666 N ARG A 733 -0.815 1.910 5.244 1.00 0.00 N ATOM 667 CA ARG A 733 -1.471 2.934 4.440 1.00 0.00 C ATOM 668 C ARG A 733 -1.556 2.506 2.978 1.00 0.00 C ATOM 669 O ARG A 733 -0.592 2.638 2.224 1.00 0.00 O ATOM 670 CB ARG A 733 -0.718 4.261 4.551 1.00 0.00 C ATOM 671 CG ARG A 733 -0.525 4.733 5.983 1.00 0.00 C ATOM 672 CD ARG A 733 -1.847 5.131 6.621 1.00 0.00 C ATOM 673 NE ARG A 733 -1.657 6.015 7.768 1.00 0.00 N ATOM 674 CZ ARG A 733 -1.280 7.284 7.663 1.00 0.00 C ATOM 675 NH1 ARG A 733 -1.054 7.815 6.469 1.00 0.00 N ATOM 676 NH2 ARG A 733 -1.128 8.025 8.753 1.00 0.00 N ATOM 0 H ARG A 733 0.152 2.122 5.490 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.483 3.066 4.822 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.258 4.156 4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -1.262 5.025 3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 733 -0.061 3.940 6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 733 0.158 5.582 5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -2.472 5.629 5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -2.381 4.235 6.938 1.00 0.00 H new ATOM 0 HE ARG A 733 -1.823 5.637 8.701 1.00 0.00 H new ATOM 0 HH11 ARG A 733 -1.170 7.248 5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 733 -0.765 8.790 6.391 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -1.301 7.620 9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 733 -0.838 9.000 8.671 1.00 0.00 H new ATOM 690 N VAL A 734 -2.717 1.992 2.584 1.00 0.00 N ATOM 691 CA VAL A 734 -2.929 1.545 1.212 1.00 0.00 C ATOM 692 C VAL A 734 -3.772 2.547 0.431 1.00 0.00 C ATOM 693 O VAL A 734 -4.602 3.252 1.003 1.00 0.00 O ATOM 694 CB VAL A 734 -3.618 0.168 1.170 1.00 0.00 C ATOM 695 CG1 VAL A 734 -3.818 -0.286 -0.268 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.810 -0.856 1.953 1.00 0.00 C ATOM 0 H VAL A 734 -3.525 1.875 3.195 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.945 1.465 0.750 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.599 0.258 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.306 -1.261 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.441 0.437 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -2.850 -0.360 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -3.311 -1.823 1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.815 -0.945 1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.724 -0.535 2.991 1.00 0.00 H new ATOM 706 N GLU A 735 -3.553 2.603 -0.879 1.00 0.00 N ATOM 707 CA GLU A 735 -4.293 3.520 -1.738 1.00 0.00 C ATOM 708 C GLU A 735 -5.227 2.755 -2.671 1.00 0.00 C ATOM 709 O GLU A 735 -4.793 2.184 -3.672 1.00 0.00 O ATOM 710 CB GLU A 735 -3.327 4.379 -2.556 1.00 0.00 C ATOM 711 CG GLU A 735 -4.014 5.228 -3.613 1.00 0.00 C ATOM 712 CD GLU A 735 -3.029 5.941 -4.519 1.00 0.00 C ATOM 713 OE1 GLU A 735 -1.928 5.398 -4.744 1.00 0.00 O ATOM 714 OE2 GLU A 735 -3.360 7.044 -5.002 1.00 0.00 O ATOM 0 H GLU A 735 -2.870 2.025 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.895 4.169 -1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.774 5.032 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.598 3.730 -3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -4.664 4.594 -4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -4.651 5.965 -3.124 1.00 0.00 H new ATOM 721 N LEU A 736 -6.513 2.750 -2.337 1.00 0.00 N ATOM 722 CA LEU A 736 -7.511 2.056 -3.144 1.00 0.00 C ATOM 723 C LEU A 736 -7.398 2.456 -4.611 1.00 0.00 C ATOM 724 O LEU A 736 -6.874 3.522 -4.936 1.00 0.00 O ATOM 725 CB LEU A 736 -8.917 2.362 -2.626 1.00 0.00 C ATOM 726 CG LEU A 736 -9.348 1.606 -1.368 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.558 2.273 -0.733 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.650 0.151 -1.697 1.00 0.00 C ATOM 0 H LEU A 736 -6.889 3.219 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.327 0.985 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.983 3.431 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.631 2.143 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.527 1.633 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.850 1.721 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.307 3.298 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.385 2.278 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.955 -0.371 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.454 0.103 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.757 -0.322 -2.106 1.00 0.00 H new ATOM 740 N HIS A 737 -7.896 1.596 -5.494 1.00 0.00 N ATOM 741 CA HIS A 737 -7.854 1.862 -6.928 1.00 0.00 C ATOM 742 C HIS A 737 -9.161 2.491 -7.402 1.00 0.00 C ATOM 743 O HIS A 737 -9.199 3.165 -8.431 1.00 0.00 O ATOM 744 CB HIS A 737 -7.587 0.569 -7.700 1.00 0.00 C ATOM 745 CG HIS A 737 -6.162 0.112 -7.627 1.00 0.00 C ATOM 746 ND1 HIS A 737 -5.594 -0.729 -8.560 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.190 0.385 -6.727 1.00 0.00 C ATOM 748 CE1 HIS A 737 -4.333 -0.955 -8.236 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.063 -0.290 -7.127 1.00 0.00 N ATOM 0 H HIS A 737 -8.333 0.709 -5.242 1.00 0.00 H new ATOM 0 HA HIS A 737 -7.043 2.565 -7.119 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.233 -0.218 -7.310 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -7.860 0.716 -8.745 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.072 -1.116 -9.373 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -5.283 1.016 -5.856 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -3.641 -1.577 -8.784 1.00 0.00 H new ATOM 757 N SER A 738 -10.230 2.265 -6.645 1.00 0.00 N ATOM 758 CA SER A 738 -11.539 2.806 -6.990 1.00 0.00 C ATOM 759 C SER A 738 -11.668 4.253 -6.527 1.00 0.00 C ATOM 760 O SER A 738 -11.724 5.176 -7.341 1.00 0.00 O ATOM 761 CB SER A 738 -12.647 1.957 -6.362 1.00 0.00 C ATOM 762 OG SER A 738 -13.872 2.126 -7.053 1.00 0.00 O ATOM 0 H SER A 738 -10.215 1.711 -5.789 1.00 0.00 H new ATOM 0 HA SER A 738 -11.641 2.779 -8.075 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.358 0.906 -6.379 1.00 0.00 H new ATOM 0 HB3 SER A 738 -12.774 2.236 -5.316 1.00 0.00 H new ATOM 0 HG SER A 738 -14.563 1.572 -6.634 1.00 0.00 H new ATOM 768 N THR A 739 -11.716 4.446 -5.213 1.00 0.00 N ATOM 769 CA THR A 739 -11.840 5.780 -4.640 1.00 0.00 C ATOM 770 C THR A 739 -10.552 6.577 -4.817 1.00 0.00 C ATOM 771 O THR A 739 -10.548 7.802 -4.697 1.00 0.00 O ATOM 772 CB THR A 739 -12.189 5.718 -3.141 1.00 0.00 C ATOM 773 OG1 THR A 739 -11.078 5.201 -2.400 1.00 0.00 O ATOM 774 CG2 THR A 739 -13.413 4.844 -2.906 1.00 0.00 C ATOM 0 H THR A 739 -11.671 3.694 -4.525 1.00 0.00 H new ATOM 0 HA THR A 739 -12.649 6.278 -5.174 1.00 0.00 H new ATOM 0 HB THR A 739 -12.413 6.729 -2.801 1.00 0.00 H new ATOM 0 HG1 THR A 739 -11.307 5.166 -1.448 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.640 4.815 -1.840 1.00 0.00 H new ATOM 0 HG22 THR A 739 -14.264 5.257 -3.448 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.212 3.833 -3.262 1.00 0.00 H new ATOM 782 N CYS A 740 -9.462 5.874 -5.103 1.00 0.00 N ATOM 783 CA CYS A 740 -8.167 6.516 -5.297 1.00 0.00 C ATOM 784 C CYS A 740 -7.762 7.307 -4.058 1.00 0.00 C ATOM 785 O CYS A 740 -7.228 8.411 -4.162 1.00 0.00 O ATOM 786 CB CYS A 740 -8.210 7.439 -6.515 1.00 0.00 C ATOM 787 SG CYS A 740 -8.167 6.572 -8.101 1.00 0.00 S ATOM 0 H CYS A 740 -9.449 4.859 -5.206 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.424 5.737 -5.467 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -9.116 8.043 -6.468 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -7.366 8.127 -6.466 1.00 0.00 H new ATOM 0 HG CYS A 740 -8.590 5.353 -7.941 1.00 0.00 H new ATOM 793 N GLN A 741 -8.021 6.735 -2.886 1.00 0.00 N ATOM 794 CA GLN A 741 -7.684 7.389 -1.627 1.00 0.00 C ATOM 795 C GLN A 741 -6.817 6.484 -0.758 1.00 0.00 C ATOM 796 O GLN A 741 -6.867 5.259 -0.874 1.00 0.00 O ATOM 797 CB GLN A 741 -8.958 7.773 -0.871 1.00 0.00 C ATOM 798 CG GLN A 741 -9.778 8.847 -1.568 1.00 0.00 C ATOM 799 CD GLN A 741 -9.189 10.233 -1.398 1.00 0.00 C ATOM 800 OE1 GLN A 741 -8.283 10.441 -0.590 1.00 0.00 O ATOM 801 NE2 GLN A 741 -9.700 11.191 -2.162 1.00 0.00 N ATOM 0 H GLN A 741 -8.463 5.821 -2.782 1.00 0.00 H new ATOM 0 HA GLN A 741 -7.119 8.292 -1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -9.575 6.884 -0.740 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -8.688 8.123 0.125 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -9.847 8.614 -2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -10.794 8.837 -1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -10.450 10.974 -2.818 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -9.342 12.144 -2.093 1.00 0.00 H new ATOM 810 N THR A 742 -6.020 7.095 0.113 1.00 0.00 N ATOM 811 CA THR A 742 -5.140 6.345 1.000 1.00 0.00 C ATOM 812 C THR A 742 -5.774 6.157 2.373 1.00 0.00 C ATOM 813 O THR A 742 -6.101 7.130 3.055 1.00 0.00 O ATOM 814 CB THR A 742 -3.779 7.048 1.167 1.00 0.00 C ATOM 815 OG1 THR A 742 -3.222 7.348 -0.117 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.813 6.176 1.954 1.00 0.00 C ATOM 0 H THR A 742 -5.966 8.108 0.223 1.00 0.00 H new ATOM 0 HA THR A 742 -4.983 5.370 0.539 1.00 0.00 H new ATOM 0 HB THR A 742 -3.938 7.975 1.718 1.00 0.00 H new ATOM 0 HG1 THR A 742 -2.358 7.796 -0.002 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.859 6.693 2.059 1.00 0.00 H new ATOM 0 HG22 THR A 742 -3.227 5.974 2.942 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.659 5.235 1.426 1.00 0.00 H new ATOM 824 N ILE A 743 -5.944 4.902 2.774 1.00 0.00 N ATOM 825 CA ILE A 743 -6.538 4.588 4.068 1.00 0.00 C ATOM 826 C ILE A 743 -5.638 3.659 4.875 1.00 0.00 C ATOM 827 O ILE A 743 -4.828 2.920 4.314 1.00 0.00 O ATOM 828 CB ILE A 743 -7.922 3.932 3.908 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.806 2.636 3.102 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.890 4.894 3.236 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.874 1.619 3.438 1.00 0.00 C ATOM 0 H ILE A 743 -5.679 4.086 2.222 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.652 5.532 4.600 1.00 0.00 H new ATOM 0 HB ILE A 743 -8.309 3.690 4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.862 2.872 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.826 2.194 3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.864 4.416 3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.991 5.792 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.509 5.164 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.730 0.726 2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.805 1.354 4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.857 2.043 3.234 1.00 0.00 H new ATOM 843 N SER A 744 -5.786 3.699 6.195 1.00 0.00 N ATOM 844 CA SER A 744 -4.985 2.862 7.080 1.00 0.00 C ATOM 845 C SER A 744 -5.750 1.603 7.478 1.00 0.00 C ATOM 846 O SER A 744 -6.833 1.679 8.058 1.00 0.00 O ATOM 847 CB SER A 744 -4.583 3.645 8.332 1.00 0.00 C ATOM 848 OG SER A 744 -5.723 4.024 9.084 1.00 0.00 O ATOM 0 H SER A 744 -6.454 4.302 6.675 1.00 0.00 H new ATOM 0 HA SER A 744 -4.085 2.564 6.541 1.00 0.00 H new ATOM 0 HB2 SER A 744 -3.922 3.036 8.949 1.00 0.00 H new ATOM 0 HB3 SER A 744 -4.021 4.534 8.044 1.00 0.00 H new ATOM 0 HG SER A 744 -6.442 3.374 8.939 1.00 0.00 H new ATOM 854 N VAL A 745 -5.179 0.446 7.160 1.00 0.00 N ATOM 855 CA VAL A 745 -5.805 -0.830 7.483 1.00 0.00 C ATOM 856 C VAL A 745 -4.795 -1.802 8.084 1.00 0.00 C ATOM 857 O VAL A 745 -3.626 -1.814 7.698 1.00 0.00 O ATOM 858 CB VAL A 745 -6.443 -1.474 6.238 1.00 0.00 C ATOM 859 CG1 VAL A 745 -7.255 -2.700 6.628 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.308 -0.464 5.500 1.00 0.00 C ATOM 0 H VAL A 745 -4.283 0.366 6.679 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.585 -0.623 8.215 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.646 -1.794 5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.698 -3.142 5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.604 -3.430 7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -8.046 -2.408 7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.751 -0.936 4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -8.100 -0.111 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.694 0.380 5.186 1.00 0.00 H new ATOM 870 N ASP A 746 -5.254 -2.614 9.029 1.00 0.00 N ATOM 871 CA ASP A 746 -4.390 -3.592 9.682 1.00 0.00 C ATOM 872 C ASP A 746 -3.605 -4.397 8.652 1.00 0.00 C ATOM 873 O ASP A 746 -4.171 -4.908 7.685 1.00 0.00 O ATOM 874 CB ASP A 746 -5.220 -4.532 10.558 1.00 0.00 C ATOM 875 CG ASP A 746 -4.404 -5.153 11.675 1.00 0.00 C ATOM 876 OD1 ASP A 746 -3.766 -4.395 12.436 1.00 0.00 O ATOM 877 OD2 ASP A 746 -4.405 -6.396 11.788 1.00 0.00 O ATOM 0 H ASP A 746 -6.219 -2.615 9.360 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.682 -3.052 10.311 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -6.057 -3.980 10.987 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -5.643 -5.323 9.938 1.00 0.00 H new ATOM 882 N ARG A 747 -2.298 -4.506 8.865 1.00 0.00 N ATOM 883 CA ARG A 747 -1.434 -5.248 7.954 1.00 0.00 C ATOM 884 C ARG A 747 -1.997 -6.640 7.683 1.00 0.00 C ATOM 885 O ARG A 747 -1.616 -7.295 6.714 1.00 0.00 O ATOM 886 CB ARG A 747 -0.023 -5.361 8.534 1.00 0.00 C ATOM 887 CG ARG A 747 0.633 -4.017 8.807 1.00 0.00 C ATOM 888 CD ARG A 747 2.150 -4.130 8.819 1.00 0.00 C ATOM 889 NE ARG A 747 2.649 -4.644 10.092 1.00 0.00 N ATOM 890 CZ ARG A 747 3.919 -4.972 10.304 1.00 0.00 C ATOM 891 NH1 ARG A 747 4.813 -4.840 9.334 1.00 0.00 N ATOM 892 NH2 ARG A 747 4.297 -5.433 11.490 1.00 0.00 N ATOM 0 H ARG A 747 -1.814 -4.090 9.660 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.389 -4.703 7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 747 -0.066 -5.930 9.463 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.601 -5.926 7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.326 -3.300 8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.288 -3.631 9.766 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.471 -4.788 8.011 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.588 -3.151 8.626 1.00 0.00 H new ATOM 0 HE ARG A 747 1.987 -4.757 10.860 1.00 0.00 H new ATOM 0 HH11 ARG A 747 4.527 -4.486 8.421 1.00 0.00 H new ATOM 0 HH12 ARG A 747 5.787 -5.093 9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.612 -5.536 12.239 1.00 0.00 H new ATOM 0 HH22 ARG A 747 5.272 -5.685 11.652 1.00 0.00 H new ATOM 906 N GLN A 748 -2.906 -7.083 8.546 1.00 0.00 N ATOM 907 CA GLN A 748 -3.520 -8.397 8.399 1.00 0.00 C ATOM 908 C GLN A 748 -4.790 -8.314 7.560 1.00 0.00 C ATOM 909 O GLN A 748 -5.082 -9.209 6.766 1.00 0.00 O ATOM 910 CB GLN A 748 -3.840 -8.990 9.773 1.00 0.00 C ATOM 911 CG GLN A 748 -2.630 -9.582 10.477 1.00 0.00 C ATOM 912 CD GLN A 748 -2.773 -9.576 11.986 1.00 0.00 C ATOM 913 OE1 GLN A 748 -3.572 -10.325 12.549 1.00 0.00 O ATOM 914 NE2 GLN A 748 -1.997 -8.728 12.651 1.00 0.00 N ATOM 0 H GLN A 748 -3.233 -6.552 9.353 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.810 -9.046 7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -4.272 -8.213 10.403 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -4.598 -9.765 9.657 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -2.480 -10.606 10.134 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -1.740 -9.018 10.198 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -1.349 -8.125 12.144 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -2.049 -8.679 13.669 1.00 0.00 H new ATOM 923 N ARG A 749 -5.543 -7.234 7.740 1.00 0.00 N ATOM 924 CA ARG A 749 -6.783 -7.034 7.000 1.00 0.00 C ATOM 925 C ARG A 749 -6.514 -6.947 5.500 1.00 0.00 C ATOM 926 O ARG A 749 -7.442 -6.935 4.691 1.00 0.00 O ATOM 927 CB ARG A 749 -7.488 -5.763 7.477 1.00 0.00 C ATOM 928 CG ARG A 749 -8.313 -5.962 8.739 1.00 0.00 C ATOM 929 CD ARG A 749 -9.311 -4.831 8.935 1.00 0.00 C ATOM 930 NE ARG A 749 -8.730 -3.710 9.669 1.00 0.00 N ATOM 931 CZ ARG A 749 -9.335 -2.537 9.817 1.00 0.00 C ATOM 932 NH1 ARG A 749 -10.533 -2.333 9.286 1.00 0.00 N ATOM 933 NH2 ARG A 749 -8.743 -1.565 10.499 1.00 0.00 N ATOM 0 H ARG A 749 -5.316 -6.484 8.392 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.430 -7.892 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.741 -4.990 7.659 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -8.138 -5.398 6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.844 -6.912 8.682 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.651 -6.019 9.603 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -9.662 -4.485 7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -10.182 -5.205 9.474 1.00 0.00 H new ATOM 0 HE ARG A 749 -7.810 -3.835 10.091 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -10.992 -3.078 8.762 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -10.995 -1.431 9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -7.822 -1.718 10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -9.209 -0.665 10.612 1.00 0.00 H new ATOM 947 N LEU A 750 -5.238 -6.885 5.137 1.00 0.00 N ATOM 948 CA LEU A 750 -4.845 -6.798 3.735 1.00 0.00 C ATOM 949 C LEU A 750 -4.395 -8.157 3.209 1.00 0.00 C ATOM 950 O LEU A 750 -3.646 -8.875 3.873 1.00 0.00 O ATOM 951 CB LEU A 750 -3.721 -5.774 3.562 1.00 0.00 C ATOM 952 CG LEU A 750 -3.980 -4.387 4.150 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.672 -3.635 4.341 1.00 0.00 C ATOM 954 CD2 LEU A 750 -4.926 -3.597 3.257 1.00 0.00 C ATOM 0 H LEU A 750 -4.458 -6.893 5.794 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.713 -6.476 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -2.817 -6.177 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.519 -5.663 2.497 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.451 -4.509 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -2.877 -2.650 4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -2.028 -4.192 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.173 -3.523 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.099 -2.612 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.483 -3.484 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -5.874 -4.128 3.172 1.00 0.00 H new ATOM 966 N THR A 751 -4.856 -8.505 2.012 1.00 0.00 N ATOM 967 CA THR A 751 -4.500 -9.778 1.396 1.00 0.00 C ATOM 968 C THR A 751 -3.757 -9.565 0.082 1.00 0.00 C ATOM 969 O THR A 751 -4.372 -9.415 -0.974 1.00 0.00 O ATOM 970 CB THR A 751 -5.748 -10.642 1.133 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.507 -10.786 2.339 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.354 -12.015 0.609 1.00 0.00 C ATOM 0 H THR A 751 -5.477 -7.923 1.449 1.00 0.00 H new ATOM 0 HA THR A 751 -3.848 -10.298 2.098 1.00 0.00 H new ATOM 0 HB THR A 751 -6.356 -10.143 0.379 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.300 -11.335 2.163 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.251 -12.608 0.431 1.00 0.00 H new ATOM 0 HG22 THR A 751 -4.801 -11.904 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 751 -4.727 -12.519 1.344 1.00 0.00 H new ATOM 980 N THR A 752 -2.430 -9.552 0.154 1.00 0.00 N ATOM 981 CA THR A 752 -1.602 -9.357 -1.030 1.00 0.00 C ATOM 982 C THR A 752 -2.172 -10.108 -2.228 1.00 0.00 C ATOM 983 O THR A 752 -2.330 -11.328 -2.191 1.00 0.00 O ATOM 984 CB THR A 752 -0.155 -9.824 -0.787 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.154 -11.065 -0.072 1.00 0.00 O ATOM 986 CG2 THR A 752 0.626 -8.780 -0.003 1.00 0.00 C ATOM 0 H THR A 752 -1.905 -9.674 1.020 1.00 0.00 H new ATOM 0 HA THR A 752 -1.600 -8.288 -1.242 1.00 0.00 H new ATOM 0 HB THR A 752 0.326 -9.963 -1.755 1.00 0.00 H new ATOM 0 HG1 THR A 752 -0.851 -11.652 -0.434 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.645 -9.132 0.157 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.648 -7.846 -0.564 1.00 0.00 H new ATOM 0 HG23 THR A 752 0.145 -8.613 0.961 1.00 0.00 H new ATOM 994 N VAL A 753 -2.478 -9.371 -3.291 1.00 0.00 N ATOM 995 CA VAL A 753 -3.028 -9.968 -4.503 1.00 0.00 C ATOM 996 C VAL A 753 -2.000 -10.856 -5.194 1.00 0.00 C ATOM 997 O VAL A 753 -2.251 -12.033 -5.447 1.00 0.00 O ATOM 998 CB VAL A 753 -3.507 -8.889 -5.492 1.00 0.00 C ATOM 999 CG1 VAL A 753 -3.987 -9.527 -6.787 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -4.604 -8.041 -4.866 1.00 0.00 C ATOM 0 H VAL A 753 -2.354 -8.360 -3.338 1.00 0.00 H new ATOM 0 HA VAL A 753 -3.881 -10.575 -4.198 1.00 0.00 H new ATOM 0 HB VAL A 753 -2.666 -8.237 -5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -4.322 -8.749 -7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.169 -10.086 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -4.815 -10.204 -6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -4.930 -7.284 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.448 -8.677 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -4.220 -7.554 -3.970 1.00 0.00 H new