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 Single : A 703 ASN : amide:sc= -0.252 K(o=-0.25,f=-2.3!) USER MOD Single : A 708 GLN : amide:sc= -0.287 K(o=-0.29,f=-0.82) 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= -0.971 K(o=-0.97,f=-6.1!) 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 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= -0.912 USER MOD Single : A 737 HIS : no HE2:sc= -0.0894 K(o=-0.089,f=-0.96) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot -80:sc= -0.716 USER MOD Single : A 740 CYS SG : rot 49:sc= 1.21 USER MOD Single : A 741 GLN : amide:sc= -0.0804 X(o=-0.08,f=-0.54) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 34:sc= 0.866 USER MOD Single : A 748 GLN : amide:sc= -0.153 K(o=-0.15,f=-2.3) USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 THR OG1 : rot 35:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 10.055 -0.939 3.217 1.00 0.00 N ATOM 217 CA ASN A 703 9.218 -0.443 2.130 1.00 0.00 C ATOM 218 C ASN A 703 9.113 -1.474 1.011 1.00 0.00 C ATOM 219 O ASN A 703 8.919 -1.123 -0.153 1.00 0.00 O ATOM 220 CB ASN A 703 9.785 0.868 1.580 1.00 0.00 C ATOM 221 CG ASN A 703 11.286 0.808 1.375 1.00 0.00 C ATOM 222 OD1 ASN A 703 11.866 -0.272 1.259 1.00 0.00 O ATOM 223 ND2 ASN A 703 11.924 1.972 1.330 1.00 0.00 N ATOM 0 HA ASN A 703 8.219 -0.261 2.527 1.00 0.00 H new ATOM 0 HB2 ASN A 703 9.301 1.101 0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 703 9.547 1.680 2.267 1.00 0.00 H new ATOM 0 HD21 ASN A 703 12.935 1.995 1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 703 11.403 2.843 1.431 1.00 0.00 H new ATOM 230 N GLU A 704 9.241 -2.747 1.372 1.00 0.00 N ATOM 231 CA GLU A 704 9.160 -3.829 0.398 1.00 0.00 C ATOM 232 C GLU A 704 7.737 -3.977 -0.133 1.00 0.00 C ATOM 233 O GLU A 704 7.490 -3.823 -1.330 1.00 0.00 O ATOM 234 CB GLU A 704 9.622 -5.145 1.025 1.00 0.00 C ATOM 235 CG GLU A 704 9.915 -6.235 0.007 1.00 0.00 C ATOM 236 CD GLU A 704 8.655 -6.815 -0.605 1.00 0.00 C ATOM 237 OE1 GLU A 704 8.042 -7.702 0.026 1.00 0.00 O ATOM 238 OE2 GLU A 704 8.282 -6.383 -1.715 1.00 0.00 O ATOM 0 H GLU A 704 9.401 -3.054 2.331 1.00 0.00 H new ATOM 0 HA GLU A 704 9.817 -3.583 -0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 704 10.519 -4.961 1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 704 8.854 -5.499 1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 704 10.545 -5.828 -0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 704 10.482 -7.033 0.487 1.00 0.00 H new ATOM 245 N LEU A 705 6.806 -4.279 0.765 1.00 0.00 N ATOM 246 CA LEU A 705 5.407 -4.449 0.388 1.00 0.00 C ATOM 247 C LEU A 705 4.839 -3.160 -0.198 1.00 0.00 C ATOM 248 O LEU A 705 3.784 -3.167 -0.832 1.00 0.00 O ATOM 249 CB LEU A 705 4.580 -4.879 1.601 1.00 0.00 C ATOM 250 CG LEU A 705 3.063 -4.765 1.454 1.00 0.00 C ATOM 251 CD1 LEU A 705 2.544 -5.792 0.459 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.381 -4.936 2.804 1.00 0.00 C ATOM 0 H LEU A 705 6.994 -4.411 1.759 1.00 0.00 H new ATOM 0 HA LEU A 705 5.354 -5.226 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 705 4.825 -5.915 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 705 4.888 -4.278 2.457 1.00 0.00 H new ATOM 0 HG LEU A 705 2.828 -3.771 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.462 -5.696 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.007 -5.623 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 705 2.791 -6.794 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.301 -4.852 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.624 -5.917 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.729 -4.162 3.488 1.00 0.00 H new ATOM 264 N ILE A 706 5.547 -2.056 0.019 1.00 0.00 N ATOM 265 CA ILE A 706 5.116 -0.761 -0.491 1.00 0.00 C ATOM 266 C ILE A 706 5.096 -0.748 -2.015 1.00 0.00 C ATOM 267 O ILE A 706 6.142 -0.690 -2.660 1.00 0.00 O ATOM 268 CB ILE A 706 6.030 0.374 0.009 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.759 0.663 1.487 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.824 1.627 -0.828 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.406 -0.570 2.289 1.00 0.00 C ATOM 0 H ILE A 706 6.421 -2.033 0.544 1.00 0.00 H new ATOM 0 HA ILE A 706 4.106 -0.595 -0.116 1.00 0.00 H new ATOM 0 HB ILE A 706 7.068 0.058 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.641 1.131 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 706 4.944 1.383 1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.477 2.420 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 706 6.062 1.412 -1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.785 1.948 -0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 706 5.227 -0.290 3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.507 -1.027 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.230 -1.283 2.242 1.00 0.00 H new ATOM 283 N GLY A 707 3.896 -0.801 -2.587 1.00 0.00 N ATOM 284 CA GLY A 707 3.762 -0.793 -4.031 1.00 0.00 C ATOM 285 C GLY A 707 3.079 -2.040 -4.557 1.00 0.00 C ATOM 286 O GLY A 707 2.690 -2.096 -5.723 1.00 0.00 O ATOM 0 H GLY A 707 3.015 -0.849 -2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.192 0.085 -4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.750 -0.705 -4.484 1.00 0.00 H new ATOM 290 N GLN A 708 2.934 -3.041 -3.696 1.00 0.00 N ATOM 291 CA GLN A 708 2.296 -4.294 -4.082 1.00 0.00 C ATOM 292 C GLN A 708 0.782 -4.129 -4.169 1.00 0.00 C ATOM 293 O GLN A 708 0.215 -3.189 -3.612 1.00 0.00 O ATOM 294 CB GLN A 708 2.643 -5.398 -3.081 1.00 0.00 C ATOM 295 CG GLN A 708 4.138 -5.584 -2.875 1.00 0.00 C ATOM 296 CD GLN A 708 4.926 -5.443 -4.162 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.573 -6.027 -5.187 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.001 -4.664 -4.116 1.00 0.00 N ATOM 0 H GLN A 708 3.249 -3.009 -2.727 1.00 0.00 H new ATOM 0 HA GLN A 708 2.671 -4.575 -5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.178 -5.167 -2.122 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.212 -6.338 -3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.495 -4.850 -2.152 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.322 -6.569 -2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.257 -4.199 -3.245 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.570 -4.531 -4.952 1.00 0.00 H new ATOM 307 N THR A 709 0.131 -5.050 -4.874 1.00 0.00 N ATOM 308 CA THR A 709 -1.316 -5.006 -5.037 1.00 0.00 C ATOM 309 C THR A 709 -2.013 -5.871 -3.993 1.00 0.00 C ATOM 310 O THR A 709 -1.989 -7.099 -4.074 1.00 0.00 O ATOM 311 CB THR A 709 -1.739 -5.475 -6.441 1.00 0.00 C ATOM 312 OG1 THR A 709 -1.196 -4.598 -7.435 1.00 0.00 O ATOM 313 CG2 THR A 709 -3.254 -5.516 -6.566 1.00 0.00 C ATOM 0 H THR A 709 0.584 -5.835 -5.341 1.00 0.00 H new ATOM 0 HA THR A 709 -1.617 -3.967 -4.904 1.00 0.00 H new ATOM 0 HB THR A 709 -1.351 -6.482 -6.595 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.468 -4.904 -8.325 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.528 -5.850 -7.567 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.661 -6.207 -5.828 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.660 -4.520 -6.393 1.00 0.00 H new ATOM 321 N VAL A 710 -2.635 -5.223 -3.013 1.00 0.00 N ATOM 322 CA VAL A 710 -3.341 -5.934 -1.954 1.00 0.00 C ATOM 323 C VAL A 710 -4.848 -5.730 -2.065 1.00 0.00 C ATOM 324 O VAL A 710 -5.311 -4.738 -2.629 1.00 0.00 O ATOM 325 CB VAL A 710 -2.873 -5.474 -0.561 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.379 -5.704 -0.396 1.00 0.00 C ATOM 327 CG2 VAL A 710 -3.224 -4.010 -0.338 1.00 0.00 C ATOM 0 H VAL A 710 -2.664 -4.207 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 710 -3.111 -6.992 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.392 -6.067 0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -1.067 -5.373 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.160 -6.766 -0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.838 -5.139 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.886 -3.701 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.734 -3.399 -1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.304 -3.880 -0.410 1.00 0.00 H new ATOM 337 N ARG A 711 -5.609 -6.675 -1.523 1.00 0.00 N ATOM 338 CA ARG A 711 -7.065 -6.600 -1.562 1.00 0.00 C ATOM 339 C ARG A 711 -7.652 -6.706 -0.158 1.00 0.00 C ATOM 340 O ARG A 711 -7.552 -7.748 0.491 1.00 0.00 O ATOM 341 CB ARG A 711 -7.631 -7.711 -2.448 1.00 0.00 C ATOM 342 CG ARG A 711 -9.150 -7.760 -2.468 1.00 0.00 C ATOM 343 CD ARG A 711 -9.658 -9.139 -2.858 1.00 0.00 C ATOM 344 NE ARG A 711 -9.736 -9.304 -4.307 1.00 0.00 N ATOM 345 CZ ARG A 711 -10.331 -10.334 -4.898 1.00 0.00 C ATOM 346 NH1 ARG A 711 -10.897 -11.285 -4.168 1.00 0.00 N ATOM 347 NH2 ARG A 711 -10.361 -10.414 -6.222 1.00 0.00 N ATOM 0 H ARG A 711 -5.242 -7.502 -1.052 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.343 -5.633 -1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -7.267 -7.573 -3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -7.250 -8.671 -2.100 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.537 -7.493 -1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.530 -7.019 -3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -8.998 -9.900 -2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -10.644 -9.299 -2.421 1.00 0.00 H new ATOM 0 HE ARG A 711 -9.310 -8.589 -4.897 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -10.876 -11.227 -3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -11.353 -12.075 -4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -9.927 -9.684 -6.787 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -10.818 -11.205 -6.675 1.00 0.00 H new ATOM 361 N ILE A 712 -8.264 -5.621 0.305 1.00 0.00 N ATOM 362 CA ILE A 712 -8.867 -5.592 1.632 1.00 0.00 C ATOM 363 C ILE A 712 -10.009 -6.598 1.738 1.00 0.00 C ATOM 364 O ILE A 712 -11.098 -6.374 1.210 1.00 0.00 O ATOM 365 CB ILE A 712 -9.400 -4.189 1.978 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.258 -3.170 1.970 1.00 0.00 C ATOM 367 CG2 ILE A 712 -10.093 -4.205 3.332 1.00 0.00 C ATOM 368 CD1 ILE A 712 -8.730 -1.736 1.874 1.00 0.00 C ATOM 0 H ILE A 712 -8.355 -4.751 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 712 -8.083 -5.859 2.341 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.129 -3.896 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -7.668 -3.290 2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.597 -3.384 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.464 -3.206 3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -10.928 -4.905 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.384 -4.515 4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -7.868 -1.069 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.295 -1.600 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.367 -1.505 2.727 1.00 0.00 H new ATOM 380 N SER A 713 -9.752 -7.706 2.426 1.00 0.00 N ATOM 381 CA SER A 713 -10.757 -8.747 2.601 1.00 0.00 C ATOM 382 C SER A 713 -11.344 -8.705 4.009 1.00 0.00 C ATOM 383 O SER A 713 -11.783 -9.725 4.539 1.00 0.00 O ATOM 384 CB SER A 713 -10.148 -10.125 2.331 1.00 0.00 C ATOM 385 OG SER A 713 -10.190 -10.439 0.950 1.00 0.00 O ATOM 0 H SER A 713 -8.856 -7.905 2.871 1.00 0.00 H new ATOM 0 HA SER A 713 -11.560 -8.566 1.886 1.00 0.00 H new ATOM 0 HB2 SER A 713 -9.116 -10.145 2.680 1.00 0.00 H new ATOM 0 HB3 SER A 713 -10.690 -10.883 2.896 1.00 0.00 H new ATOM 0 HG SER A 713 -9.794 -11.323 0.803 1.00 0.00 H new ATOM 391 N GLN A 714 -11.348 -7.518 4.606 1.00 0.00 N ATOM 392 CA GLN A 714 -11.880 -7.343 5.952 1.00 0.00 C ATOM 393 C GLN A 714 -12.198 -5.876 6.225 1.00 0.00 C ATOM 394 O GLN A 714 -11.469 -4.983 5.797 1.00 0.00 O ATOM 395 CB GLN A 714 -10.882 -7.862 6.989 1.00 0.00 C ATOM 396 CG GLN A 714 -10.843 -9.378 7.090 1.00 0.00 C ATOM 397 CD GLN A 714 -10.467 -9.862 8.477 1.00 0.00 C ATOM 398 OE1 GLN A 714 -9.786 -9.161 9.227 1.00 0.00 O ATOM 399 NE2 GLN A 714 -10.909 -11.064 8.825 1.00 0.00 N ATOM 0 H GLN A 714 -10.989 -6.664 4.179 1.00 0.00 H new ATOM 0 HA GLN A 714 -12.804 -7.917 6.028 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -9.886 -7.497 6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -11.136 -7.448 7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -11.819 -9.781 6.821 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -10.127 -9.768 6.367 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -11.470 -11.610 8.171 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -10.687 -11.442 9.746 1.00 0.00 H new ATOM 408 N GLY A 715 -13.293 -5.636 6.940 1.00 0.00 N ATOM 409 CA GLY A 715 -13.689 -4.277 7.257 1.00 0.00 C ATOM 410 C GLY A 715 -14.735 -3.739 6.301 1.00 0.00 C ATOM 411 O GLY A 715 -15.352 -4.485 5.540 1.00 0.00 O ATOM 0 H GLY A 715 -13.913 -6.359 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -14.080 -4.244 8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.811 -3.631 7.231 1.00 0.00 H new ATOM 415 N PRO A 716 -14.948 -2.416 6.334 1.00 0.00 N ATOM 416 CA PRO A 716 -15.928 -1.750 5.470 1.00 0.00 C ATOM 417 C PRO A 716 -15.501 -1.744 4.007 1.00 0.00 C ATOM 418 O PRO A 716 -16.340 -1.716 3.105 1.00 0.00 O ATOM 419 CB PRO A 716 -15.973 -0.322 6.020 1.00 0.00 C ATOM 420 CG PRO A 716 -14.647 -0.124 6.669 1.00 0.00 C ATOM 421 CD PRO A 716 -14.249 -1.467 7.216 1.00 0.00 C ATOM 0 HA PRO A 716 -16.893 -2.257 5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.136 0.404 5.224 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -16.786 -0.199 6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -13.911 0.238 5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -14.709 0.619 7.464 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.169 -1.610 7.184 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -14.555 -1.584 8.255 1.00 0.00 H new ATOM 429 N TYR A 717 -14.193 -1.770 3.777 1.00 0.00 N ATOM 430 CA TYR A 717 -13.655 -1.766 2.422 1.00 0.00 C ATOM 431 C TYR A 717 -13.326 -3.183 1.961 1.00 0.00 C ATOM 432 O TYR A 717 -12.271 -3.430 1.377 1.00 0.00 O ATOM 433 CB TYR A 717 -12.402 -0.891 2.351 1.00 0.00 C ATOM 434 CG TYR A 717 -12.611 0.510 2.881 1.00 0.00 C ATOM 435 CD1 TYR A 717 -12.417 0.801 4.226 1.00 0.00 C ATOM 436 CD2 TYR A 717 -13.003 1.541 2.037 1.00 0.00 C ATOM 437 CE1 TYR A 717 -12.607 2.078 4.715 1.00 0.00 C ATOM 438 CE2 TYR A 717 -13.194 2.823 2.517 1.00 0.00 C ATOM 439 CZ TYR A 717 -12.995 3.086 3.857 1.00 0.00 C ATOM 440 OH TYR A 717 -13.186 4.361 4.339 1.00 0.00 O ATOM 0 H TYR A 717 -13.486 -1.794 4.512 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.416 -1.355 1.758 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.603 -1.369 2.917 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -12.068 -0.833 1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -12.112 0.014 4.900 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -13.161 1.338 0.988 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -12.453 2.287 5.763 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -13.497 3.614 1.847 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.456 4.951 3.605 1.00 0.00 H new ATOM 450 N LYS A 718 -14.239 -4.111 2.228 1.00 0.00 N ATOM 451 CA LYS A 718 -14.050 -5.504 1.841 1.00 0.00 C ATOM 452 C LYS A 718 -14.189 -5.673 0.331 1.00 0.00 C ATOM 453 O LYS A 718 -15.098 -5.118 -0.284 1.00 0.00 O ATOM 454 CB LYS A 718 -15.063 -6.397 2.560 1.00 0.00 C ATOM 455 CG LYS A 718 -14.992 -7.856 2.143 1.00 0.00 C ATOM 456 CD LYS A 718 -15.526 -8.773 3.231 1.00 0.00 C ATOM 457 CE LYS A 718 -15.333 -10.238 2.869 1.00 0.00 C ATOM 458 NZ LYS A 718 -15.474 -11.126 4.056 1.00 0.00 N ATOM 0 H LYS A 718 -15.118 -3.923 2.711 1.00 0.00 H new ATOM 0 HA LYS A 718 -13.042 -5.802 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.898 -6.327 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -16.068 -6.021 2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.566 -8.002 1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -13.959 -8.121 1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.017 -8.559 4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -16.586 -8.573 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -16.064 -10.524 2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -14.346 -10.376 2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -15.336 -12.116 3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -14.760 -10.870 4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -16.425 -11.014 4.463 1.00 0.00 H new ATOM 472 N GLY A 719 -13.281 -6.444 -0.260 1.00 0.00 N ATOM 473 CA GLY A 719 -13.322 -6.673 -1.692 1.00 0.00 C ATOM 474 C GLY A 719 -12.874 -5.461 -2.486 1.00 0.00 C ATOM 475 O GLY A 719 -13.457 -5.139 -3.521 1.00 0.00 O ATOM 0 H GLY A 719 -12.518 -6.914 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.684 -7.522 -1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.337 -6.941 -1.985 1.00 0.00 H new ATOM 479 N TYR A 720 -11.838 -4.787 -1.999 1.00 0.00 N ATOM 480 CA TYR A 720 -11.315 -3.602 -2.668 1.00 0.00 C ATOM 481 C TYR A 720 -9.814 -3.729 -2.909 1.00 0.00 C ATOM 482 O TYR A 720 -9.079 -4.235 -2.060 1.00 0.00 O ATOM 483 CB TYR A 720 -11.605 -2.352 -1.836 1.00 0.00 C ATOM 484 CG TYR A 720 -12.976 -1.763 -2.084 1.00 0.00 C ATOM 485 CD1 TYR A 720 -14.120 -2.396 -1.615 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.126 -0.574 -2.787 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.375 -1.862 -1.841 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.376 -0.033 -3.016 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.497 -0.680 -2.541 1.00 0.00 C ATOM 490 OH TYR A 720 -16.745 -0.145 -2.767 1.00 0.00 O ATOM 0 H TYR A 720 -11.344 -5.041 -1.144 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.813 -3.512 -3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.511 -2.600 -0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.850 -1.597 -2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -14.028 -3.321 -1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.250 -0.064 -3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.255 -2.368 -1.471 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.475 0.892 -3.564 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.656 0.689 -3.273 1.00 0.00 H new ATOM 500 N ILE A 721 -9.367 -3.267 -4.071 1.00 0.00 N ATOM 501 CA ILE A 721 -7.954 -3.327 -4.424 1.00 0.00 C ATOM 502 C ILE A 721 -7.254 -2.008 -4.117 1.00 0.00 C ATOM 503 O ILE A 721 -7.880 -0.949 -4.102 1.00 0.00 O ATOM 504 CB ILE A 721 -7.759 -3.663 -5.914 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.502 -4.953 -6.270 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.278 -3.792 -6.239 1.00 0.00 C ATOM 507 CD1 ILE A 721 -7.957 -6.177 -5.568 1.00 0.00 C ATOM 0 H ILE A 721 -9.963 -2.847 -4.784 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.512 -4.120 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 721 -8.173 -2.851 -6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.556 -4.838 -6.016 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.449 -5.108 -7.348 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -6.157 -4.030 -7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.774 -2.851 -6.019 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.841 -4.588 -5.636 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.531 -7.054 -5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -6.911 -6.317 -5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -8.036 -6.043 -4.489 1.00 0.00 H new ATOM 519 N GLY A 722 -5.948 -2.079 -3.872 1.00 0.00 N ATOM 520 CA GLY A 722 -5.184 -0.883 -3.570 1.00 0.00 C ATOM 521 C GLY A 722 -3.690 -1.139 -3.556 1.00 0.00 C ATOM 522 O GLY A 722 -3.249 -2.287 -3.496 1.00 0.00 O ATOM 0 H GLY A 722 -5.407 -2.943 -3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.411 -0.114 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.492 -0.494 -2.600 1.00 0.00 H new ATOM 526 N VAL A 723 -2.907 -0.066 -3.613 1.00 0.00 N ATOM 527 CA VAL A 723 -1.453 -0.179 -3.608 1.00 0.00 C ATOM 528 C VAL A 723 -0.870 0.303 -2.284 1.00 0.00 C ATOM 529 O VAL A 723 -1.093 1.442 -1.873 1.00 0.00 O ATOM 530 CB VAL A 723 -0.823 0.628 -4.758 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.688 0.693 -4.600 1.00 0.00 C ATOM 532 CG2 VAL A 723 -1.201 0.024 -6.102 1.00 0.00 C ATOM 0 H VAL A 723 -3.255 0.891 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.217 -1.234 -3.744 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.212 1.645 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.115 1.267 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 723 0.935 1.175 -3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.099 -0.317 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.747 0.607 -6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.842 -1.004 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -2.285 0.036 -6.214 1.00 0.00 H new ATOM 542 N VAL A 724 -0.120 -0.571 -1.621 1.00 0.00 N ATOM 543 CA VAL A 724 0.497 -0.234 -0.344 1.00 0.00 C ATOM 544 C VAL A 724 1.537 0.868 -0.510 1.00 0.00 C ATOM 545 O VAL A 724 2.588 0.660 -1.117 1.00 0.00 O ATOM 546 CB VAL A 724 1.167 -1.464 0.297 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.734 -1.112 1.664 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.178 -2.615 0.402 1.00 0.00 C ATOM 0 H VAL A 724 0.075 -1.518 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.301 0.119 0.310 1.00 0.00 H new ATOM 0 HB VAL A 724 1.992 -1.780 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.203 -1.993 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.476 -0.321 1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 724 0.929 -0.769 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 724 0.668 -3.476 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.669 -2.312 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 724 -0.175 -2.883 -0.594 1.00 0.00 H new ATOM 558 N LYS A 725 1.238 2.043 0.035 1.00 0.00 N ATOM 559 CA LYS A 725 2.147 3.179 -0.050 1.00 0.00 C ATOM 560 C LYS A 725 3.057 3.241 1.172 1.00 0.00 C ATOM 561 O LYS A 725 4.192 3.713 1.090 1.00 0.00 O ATOM 562 CB LYS A 725 1.356 4.483 -0.177 1.00 0.00 C ATOM 563 CG LYS A 725 0.337 4.469 -1.303 1.00 0.00 C ATOM 564 CD LYS A 725 0.121 5.859 -1.877 1.00 0.00 C ATOM 565 CE LYS A 725 1.078 6.143 -3.024 1.00 0.00 C ATOM 566 NZ LYS A 725 0.629 7.300 -3.848 1.00 0.00 N ATOM 0 H LYS A 725 0.373 2.233 0.540 1.00 0.00 H new ATOM 0 HA LYS A 725 2.768 3.050 -0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.842 4.680 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 725 2.052 5.306 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 725 0.675 3.797 -2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -0.610 4.076 -0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 725 -0.907 5.953 -2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 725 0.260 6.603 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 725 2.072 6.345 -2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 725 1.161 5.258 -3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 1.308 7.461 -4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 -0.309 7.097 -4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 0.574 8.150 -3.252 1.00 0.00 H new ATOM 580 N ASP A 726 2.554 2.761 2.304 1.00 0.00 N ATOM 581 CA ASP A 726 3.323 2.760 3.543 1.00 0.00 C ATOM 582 C ASP A 726 3.026 1.510 4.365 1.00 0.00 C ATOM 583 O ASP A 726 1.897 1.020 4.383 1.00 0.00 O ATOM 584 CB ASP A 726 3.009 4.012 4.364 1.00 0.00 C ATOM 585 CG ASP A 726 4.185 4.458 5.211 1.00 0.00 C ATOM 586 OD1 ASP A 726 4.385 3.881 6.300 1.00 0.00 O ATOM 587 OD2 ASP A 726 4.905 5.384 4.783 1.00 0.00 O ATOM 0 H ASP A 726 1.617 2.367 2.389 1.00 0.00 H new ATOM 0 HA ASP A 726 4.382 2.760 3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.721 4.821 3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.154 3.814 5.010 1.00 0.00 H new ATOM 592 N ALA A 727 4.048 0.997 5.043 1.00 0.00 N ATOM 593 CA ALA A 727 3.896 -0.195 5.868 1.00 0.00 C ATOM 594 C ALA A 727 3.963 0.151 7.351 1.00 0.00 C ATOM 595 O ALA A 727 4.999 0.594 7.851 1.00 0.00 O ATOM 596 CB ALA A 727 4.963 -1.220 5.514 1.00 0.00 C ATOM 0 H ALA A 727 4.990 1.388 5.037 1.00 0.00 H new ATOM 0 HA ALA A 727 2.914 -0.624 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.838 -2.105 6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.866 -1.498 4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.950 -0.792 5.686 1.00 0.00 H new ATOM 602 N THR A 728 2.853 -0.053 8.053 1.00 0.00 N ATOM 603 CA THR A 728 2.785 0.240 9.479 1.00 0.00 C ATOM 604 C THR A 728 2.895 -1.035 10.307 1.00 0.00 C ATOM 605 O THR A 728 2.610 -2.128 9.821 1.00 0.00 O ATOM 606 CB THR A 728 1.474 0.963 9.843 1.00 0.00 C ATOM 607 OG1 THR A 728 1.024 1.748 8.734 1.00 0.00 O ATOM 608 CG2 THR A 728 1.669 1.857 11.058 1.00 0.00 C ATOM 0 H THR A 728 1.988 -0.420 7.657 1.00 0.00 H new ATOM 0 HA THR A 728 3.627 0.893 9.708 1.00 0.00 H new ATOM 0 HB THR A 728 0.723 0.210 10.083 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.189 2.203 8.973 1.00 0.00 H new ATOM 0 HG21 THR A 728 0.730 2.357 11.296 1.00 0.00 H new ATOM 0 HG22 THR A 728 1.984 1.252 11.908 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.433 2.604 10.841 1.00 0.00 H new ATOM 616 N GLU A 729 3.311 -0.886 11.562 1.00 0.00 N ATOM 617 CA GLU A 729 3.459 -2.028 12.457 1.00 0.00 C ATOM 618 C GLU A 729 2.261 -2.967 12.344 1.00 0.00 C ATOM 619 O GLU A 729 2.359 -4.048 11.765 1.00 0.00 O ATOM 620 CB GLU A 729 3.614 -1.553 13.903 1.00 0.00 C ATOM 621 CG GLU A 729 3.812 -2.685 14.898 1.00 0.00 C ATOM 622 CD GLU A 729 3.659 -2.231 16.336 1.00 0.00 C ATOM 623 OE1 GLU A 729 4.650 -1.732 16.910 1.00 0.00 O ATOM 624 OE2 GLU A 729 2.548 -2.374 16.888 1.00 0.00 O ATOM 0 H GLU A 729 3.551 0.013 11.981 1.00 0.00 H new ATOM 0 HA GLU A 729 4.355 -2.574 12.163 1.00 0.00 H new ATOM 0 HB2 GLU A 729 4.464 -0.874 13.964 1.00 0.00 H new ATOM 0 HB3 GLU A 729 2.729 -0.982 14.186 1.00 0.00 H new ATOM 0 HG2 GLU A 729 3.090 -3.475 14.692 1.00 0.00 H new ATOM 0 HG3 GLU A 729 4.804 -3.115 14.760 1.00 0.00 H new ATOM 631 N SER A 730 1.131 -2.545 12.903 1.00 0.00 N ATOM 632 CA SER A 730 -0.085 -3.348 12.869 1.00 0.00 C ATOM 633 C SER A 730 -1.063 -2.810 11.830 1.00 0.00 C ATOM 634 O SER A 730 -2.263 -3.080 11.891 1.00 0.00 O ATOM 635 CB SER A 730 -0.747 -3.367 14.248 1.00 0.00 C ATOM 636 OG SER A 730 0.008 -4.140 15.166 1.00 0.00 O ATOM 0 H SER A 730 1.033 -1.651 13.385 1.00 0.00 H new ATOM 0 HA SER A 730 0.189 -4.366 12.591 1.00 0.00 H new ATOM 0 HB2 SER A 730 -0.846 -2.348 14.621 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.754 -3.776 14.166 1.00 0.00 H new ATOM 0 HG SER A 730 -0.435 -4.135 16.040 1.00 0.00 H new ATOM 642 N THR A 731 -0.542 -2.046 10.875 1.00 0.00 N ATOM 643 CA THR A 731 -1.368 -1.468 9.823 1.00 0.00 C ATOM 644 C THR A 731 -0.551 -1.211 8.562 1.00 0.00 C ATOM 645 O THR A 731 0.670 -1.368 8.559 1.00 0.00 O ATOM 646 CB THR A 731 -2.016 -0.148 10.279 1.00 0.00 C ATOM 647 OG1 THR A 731 -1.177 0.504 11.239 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.388 -0.400 10.885 1.00 0.00 C ATOM 0 H THR A 731 0.449 -1.813 10.809 1.00 0.00 H new ATOM 0 HA THR A 731 -2.153 -2.192 9.603 1.00 0.00 H new ATOM 0 HB THR A 731 -2.134 0.494 9.406 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.596 1.344 11.523 1.00 0.00 H new ATOM 0 HG21 THR A 731 -3.826 0.547 11.200 1.00 0.00 H new ATOM 0 HG22 THR A 731 -4.033 -0.869 10.142 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.289 -1.059 11.748 1.00 0.00 H new ATOM 656 N ALA A 732 -1.232 -0.814 7.492 1.00 0.00 N ATOM 657 CA ALA A 732 -0.568 -0.532 6.225 1.00 0.00 C ATOM 658 C ALA A 732 -1.354 0.489 5.409 1.00 0.00 C ATOM 659 O ALA A 732 -2.528 0.282 5.102 1.00 0.00 O ATOM 660 CB ALA A 732 -0.382 -1.815 5.430 1.00 0.00 C ATOM 0 H ALA A 732 -2.243 -0.680 7.477 1.00 0.00 H new ATOM 0 HA ALA A 732 0.412 -0.107 6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 732 0.115 -1.590 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 732 0.228 -2.513 6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.355 -2.263 5.230 1.00 0.00 H new ATOM 666 N ARG A 733 -0.699 1.592 5.061 1.00 0.00 N ATOM 667 CA ARG A 733 -1.337 2.646 4.282 1.00 0.00 C ATOM 668 C ARG A 733 -1.477 2.233 2.820 1.00 0.00 C ATOM 669 O ARG A 733 -0.541 2.370 2.032 1.00 0.00 O ATOM 670 CB ARG A 733 -0.531 3.943 4.382 1.00 0.00 C ATOM 671 CG ARG A 733 -0.325 4.424 5.809 1.00 0.00 C ATOM 672 CD ARG A 733 -1.626 4.913 6.425 1.00 0.00 C ATOM 673 NE ARG A 733 -1.974 6.258 5.975 1.00 0.00 N ATOM 674 CZ ARG A 733 -1.292 7.346 6.315 1.00 0.00 C ATOM 675 NH1 ARG A 733 -0.232 7.248 7.106 1.00 0.00 N ATOM 676 NH2 ARG A 733 -1.670 8.536 5.865 1.00 0.00 N ATOM 0 H ARG A 733 0.273 1.779 5.306 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.333 2.813 4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.442 3.793 3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -1.041 4.722 3.815 1.00 0.00 H new ATOM 0 HG2 ARG A 733 0.082 3.613 6.412 1.00 0.00 H new ATOM 0 HG3 ARG A 733 0.409 5.229 5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -2.431 4.225 6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -1.538 4.906 7.511 1.00 0.00 H new ATOM 0 HE ARG A 733 -2.785 6.368 5.366 1.00 0.00 H new ATOM 0 HH11 ARG A 733 0.061 6.336 7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 733 0.290 8.085 7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -2.485 8.616 5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 733 -1.145 9.371 6.127 1.00 0.00 H new ATOM 690 N VAL A 734 -2.653 1.725 2.464 1.00 0.00 N ATOM 691 CA VAL A 734 -2.917 1.292 1.097 1.00 0.00 C ATOM 692 C VAL A 734 -3.720 2.339 0.334 1.00 0.00 C ATOM 693 O VAL A 734 -4.566 3.024 0.906 1.00 0.00 O ATOM 694 CB VAL A 734 -3.680 -0.045 1.069 1.00 0.00 C ATOM 695 CG1 VAL A 734 -4.117 -0.382 -0.348 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.823 -1.160 1.650 1.00 0.00 C ATOM 0 H VAL A 734 -3.438 1.603 3.104 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.948 1.159 0.615 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.574 0.055 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.655 -1.330 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.770 0.405 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -3.240 -0.463 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -3.378 -2.098 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.910 -1.261 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.566 -0.921 2.682 1.00 0.00 H new ATOM 706 N GLU A 735 -3.448 2.457 -0.962 1.00 0.00 N ATOM 707 CA GLU A 735 -4.146 3.421 -1.804 1.00 0.00 C ATOM 708 C GLU A 735 -5.134 2.720 -2.731 1.00 0.00 C ATOM 709 O GLU A 735 -4.747 2.144 -3.749 1.00 0.00 O ATOM 710 CB GLU A 735 -3.144 4.232 -2.628 1.00 0.00 C ATOM 711 CG GLU A 735 -3.788 5.318 -3.473 1.00 0.00 C ATOM 712 CD GLU A 735 -3.013 5.604 -4.745 1.00 0.00 C ATOM 713 OE1 GLU A 735 -2.529 4.641 -5.375 1.00 0.00 O ATOM 714 OE2 GLU A 735 -2.892 6.792 -5.111 1.00 0.00 O ATOM 0 H GLU A 735 -2.750 1.897 -1.451 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.702 4.096 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.419 4.689 -1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.591 3.556 -3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -4.804 5.018 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -3.865 6.233 -2.885 1.00 0.00 H new ATOM 721 N LEU A 736 -6.412 2.771 -2.372 1.00 0.00 N ATOM 722 CA LEU A 736 -7.457 2.140 -3.171 1.00 0.00 C ATOM 723 C LEU A 736 -7.335 2.537 -4.639 1.00 0.00 C ATOM 724 O LEU A 736 -6.734 3.560 -4.968 1.00 0.00 O ATOM 725 CB LEU A 736 -8.838 2.530 -2.639 1.00 0.00 C ATOM 726 CG LEU A 736 -9.281 1.836 -1.350 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.509 2.521 -0.770 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.561 0.363 -1.606 1.00 0.00 C ATOM 0 H LEU A 736 -6.750 3.243 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.336 1.059 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.850 3.607 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.576 2.320 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.472 1.910 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.810 2.014 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.274 3.562 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.324 2.479 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.875 -0.114 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.353 0.267 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.656 -0.121 -1.975 1.00 0.00 H new ATOM 740 N HIS A 737 -7.910 1.721 -5.517 1.00 0.00 N ATOM 741 CA HIS A 737 -7.868 1.988 -6.950 1.00 0.00 C ATOM 742 C HIS A 737 -9.033 2.878 -7.371 1.00 0.00 C ATOM 743 O HIS A 737 -8.846 3.871 -8.075 1.00 0.00 O ATOM 744 CB HIS A 737 -7.902 0.677 -7.736 1.00 0.00 C ATOM 745 CG HIS A 737 -6.566 0.010 -7.847 1.00 0.00 C ATOM 746 ND1 HIS A 737 -6.262 -0.908 -8.830 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.449 0.135 -7.093 1.00 0.00 C ATOM 748 CE1 HIS A 737 -5.017 -1.321 -8.674 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.501 -0.703 -7.627 1.00 0.00 N ATOM 0 H HIS A 737 -8.410 0.870 -5.261 1.00 0.00 H new ATOM 0 HA HIS A 737 -6.937 2.510 -7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.601 -0.007 -7.255 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -8.285 0.873 -8.737 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.899 -1.220 -9.563 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -5.326 0.775 -6.232 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -4.508 -2.042 -9.297 1.00 0.00 H new ATOM 757 N SER A 738 -10.236 2.515 -6.937 1.00 0.00 N ATOM 758 CA SER A 738 -11.432 3.278 -7.273 1.00 0.00 C ATOM 759 C SER A 738 -11.342 4.699 -6.726 1.00 0.00 C ATOM 760 O SER A 738 -11.115 5.652 -7.472 1.00 0.00 O ATOM 761 CB SER A 738 -12.678 2.584 -6.718 1.00 0.00 C ATOM 762 OG SER A 738 -12.856 1.308 -7.308 1.00 0.00 O ATOM 0 H SER A 738 -10.408 1.697 -6.352 1.00 0.00 H new ATOM 0 HA SER A 738 -11.506 3.330 -8.359 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.588 2.479 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 738 -13.556 3.201 -6.907 1.00 0.00 H new ATOM 0 HG SER A 738 -13.657 0.884 -6.936 1.00 0.00 H new ATOM 768 N THR A 739 -11.521 4.835 -5.416 1.00 0.00 N ATOM 769 CA THR A 739 -11.462 6.138 -4.767 1.00 0.00 C ATOM 770 C THR A 739 -10.112 6.807 -4.999 1.00 0.00 C ATOM 771 O THR A 739 -10.012 8.035 -5.025 1.00 0.00 O ATOM 772 CB THR A 739 -11.710 6.024 -3.251 1.00 0.00 C ATOM 773 OG1 THR A 739 -10.703 5.201 -2.650 1.00 0.00 O ATOM 774 CG2 THR A 739 -13.085 5.437 -2.971 1.00 0.00 C ATOM 0 H THR A 739 -11.708 4.057 -4.783 1.00 0.00 H new ATOM 0 HA THR A 739 -12.249 6.747 -5.212 1.00 0.00 H new ATOM 0 HB THR A 739 -11.665 7.025 -2.821 1.00 0.00 H new ATOM 0 HG1 THR A 739 -10.923 4.257 -2.795 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.238 5.366 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 739 -13.851 6.081 -3.404 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.153 4.443 -3.414 1.00 0.00 H new ATOM 782 N CYS A 740 -9.075 5.994 -5.170 1.00 0.00 N ATOM 783 CA CYS A 740 -7.730 6.507 -5.401 1.00 0.00 C ATOM 784 C CYS A 740 -7.253 7.336 -4.212 1.00 0.00 C ATOM 785 O CYS A 740 -6.767 8.454 -4.379 1.00 0.00 O ATOM 786 CB CYS A 740 -7.696 7.354 -6.674 1.00 0.00 C ATOM 787 SG CYS A 740 -7.371 6.408 -8.181 1.00 0.00 S ATOM 0 H CYS A 740 -9.141 4.976 -5.153 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.059 5.656 -5.521 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -8.650 7.870 -6.780 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -6.929 8.121 -6.567 1.00 0.00 H new ATOM 0 HG CYS A 740 -8.148 5.366 -8.215 1.00 0.00 H new ATOM 793 N GLN A 741 -7.396 6.780 -3.014 1.00 0.00 N ATOM 794 CA GLN A 741 -6.982 7.469 -1.798 1.00 0.00 C ATOM 795 C GLN A 741 -6.269 6.513 -0.847 1.00 0.00 C ATOM 796 O GLN A 741 -6.524 5.308 -0.852 1.00 0.00 O ATOM 797 CB GLN A 741 -8.193 8.091 -1.101 1.00 0.00 C ATOM 798 CG GLN A 741 -9.088 7.074 -0.411 1.00 0.00 C ATOM 799 CD GLN A 741 -9.810 7.652 0.790 1.00 0.00 C ATOM 800 OE1 GLN A 741 -9.218 8.363 1.602 1.00 0.00 O ATOM 801 NE2 GLN A 741 -11.098 7.348 0.909 1.00 0.00 N ATOM 0 H GLN A 741 -7.795 5.854 -2.859 1.00 0.00 H new ATOM 0 HA GLN A 741 -6.287 8.261 -2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -7.845 8.815 -0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -8.781 8.641 -1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -9.821 6.698 -1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -8.486 6.223 -0.093 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -11.549 6.755 0.212 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -11.636 7.708 1.697 1.00 0.00 H new ATOM 810 N THR A 742 -5.373 7.058 -0.029 1.00 0.00 N ATOM 811 CA THR A 742 -4.622 6.255 0.926 1.00 0.00 C ATOM 812 C THR A 742 -5.409 6.057 2.217 1.00 0.00 C ATOM 813 O THR A 742 -6.031 6.990 2.725 1.00 0.00 O ATOM 814 CB THR A 742 -3.265 6.902 1.260 1.00 0.00 C ATOM 815 OG1 THR A 742 -2.584 7.263 0.054 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.398 5.952 2.073 1.00 0.00 C ATOM 0 H THR A 742 -5.151 8.053 -0.010 1.00 0.00 H new ATOM 0 HA THR A 742 -4.449 5.287 0.457 1.00 0.00 H new ATOM 0 HB THR A 742 -3.451 7.797 1.853 1.00 0.00 H new ATOM 0 HG1 THR A 742 -1.723 7.675 0.275 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.445 6.431 2.297 1.00 0.00 H new ATOM 0 HG22 THR A 742 -2.906 5.702 3.004 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.221 5.041 1.501 1.00 0.00 H new ATOM 824 N ILE A 743 -5.377 4.837 2.743 1.00 0.00 N ATOM 825 CA ILE A 743 -6.086 4.518 3.975 1.00 0.00 C ATOM 826 C ILE A 743 -5.293 3.533 4.827 1.00 0.00 C ATOM 827 O ILE A 743 -4.647 2.624 4.304 1.00 0.00 O ATOM 828 CB ILE A 743 -7.478 3.925 3.687 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.361 2.728 2.741 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.394 4.987 3.095 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.544 1.788 2.807 1.00 0.00 C ATOM 0 H ILE A 743 -4.867 4.053 2.335 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.205 5.454 4.521 1.00 0.00 H new ATOM 0 HB ILE A 743 -7.911 3.581 4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.253 3.092 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.453 2.174 2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.374 4.553 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.498 5.812 3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -7.966 5.358 2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.393 0.963 2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.640 1.395 3.819 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.453 2.327 2.539 1.00 0.00 H new ATOM 843 N SER A 744 -5.349 3.717 6.142 1.00 0.00 N ATOM 844 CA SER A 744 -4.634 2.846 7.067 1.00 0.00 C ATOM 845 C SER A 744 -5.474 1.622 7.419 1.00 0.00 C ATOM 846 O SER A 744 -6.503 1.732 8.086 1.00 0.00 O ATOM 847 CB SER A 744 -4.266 3.610 8.341 1.00 0.00 C ATOM 848 OG SER A 744 -5.425 3.961 9.077 1.00 0.00 O ATOM 0 H SER A 744 -5.882 4.462 6.591 1.00 0.00 H new ATOM 0 HA SER A 744 -3.720 2.510 6.578 1.00 0.00 H new ATOM 0 HB2 SER A 744 -3.610 2.998 8.960 1.00 0.00 H new ATOM 0 HB3 SER A 744 -3.710 4.511 8.081 1.00 0.00 H new ATOM 0 HG SER A 744 -6.103 3.261 8.973 1.00 0.00 H new ATOM 854 N VAL A 745 -5.027 0.455 6.966 1.00 0.00 N ATOM 855 CA VAL A 745 -5.735 -0.791 7.233 1.00 0.00 C ATOM 856 C VAL A 745 -4.805 -1.832 7.845 1.00 0.00 C ATOM 857 O VAL A 745 -3.610 -1.863 7.548 1.00 0.00 O ATOM 858 CB VAL A 745 -6.360 -1.368 5.949 1.00 0.00 C ATOM 859 CG1 VAL A 745 -7.080 -2.675 6.246 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.308 -0.359 5.318 1.00 0.00 C ATOM 0 H VAL A 745 -4.177 0.347 6.412 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.530 -0.557 7.942 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.560 -1.575 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.515 -3.068 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.371 -3.398 6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.871 -2.497 6.975 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.740 -0.783 4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -8.105 -0.118 6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.759 0.549 5.067 1.00 0.00 H new ATOM 870 N ASP A 746 -5.360 -2.685 8.699 1.00 0.00 N ATOM 871 CA ASP A 746 -4.580 -3.730 9.352 1.00 0.00 C ATOM 872 C ASP A 746 -3.855 -4.591 8.322 1.00 0.00 C ATOM 873 O ASP A 746 -4.451 -5.038 7.342 1.00 0.00 O ATOM 874 CB ASP A 746 -5.485 -4.605 10.220 1.00 0.00 C ATOM 875 CG ASP A 746 -4.757 -5.184 11.417 1.00 0.00 C ATOM 876 OD1 ASP A 746 -3.589 -5.596 11.257 1.00 0.00 O ATOM 877 OD2 ASP A 746 -5.355 -5.227 12.512 1.00 0.00 O ATOM 0 H ASP A 746 -6.347 -2.673 8.955 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.835 -3.250 9.987 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -6.333 -4.014 10.566 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -5.888 -5.418 9.616 1.00 0.00 H new ATOM 882 N ARG A 747 -2.565 -4.818 8.550 1.00 0.00 N ATOM 883 CA ARG A 747 -1.759 -5.623 7.641 1.00 0.00 C ATOM 884 C ARG A 747 -2.416 -6.976 7.385 1.00 0.00 C ATOM 885 O ARG A 747 -2.237 -7.571 6.323 1.00 0.00 O ATOM 886 CB ARG A 747 -0.355 -5.826 8.214 1.00 0.00 C ATOM 887 CG ARG A 747 0.404 -4.528 8.441 1.00 0.00 C ATOM 888 CD ARG A 747 1.906 -4.762 8.484 1.00 0.00 C ATOM 889 NE ARG A 747 2.321 -5.427 9.715 1.00 0.00 N ATOM 890 CZ ARG A 747 3.583 -5.733 9.996 1.00 0.00 C ATOM 891 NH1 ARG A 747 4.548 -5.434 9.137 1.00 0.00 N ATOM 892 NH2 ARG A 747 3.883 -6.339 11.138 1.00 0.00 N ATOM 0 H ARG A 747 -2.056 -4.456 9.356 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.684 -5.090 6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 747 -0.432 -6.362 9.160 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.218 -6.458 7.535 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.167 -3.823 7.645 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.078 -4.074 9.377 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.203 -5.367 7.627 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.424 -3.807 8.395 1.00 0.00 H new ATOM 0 HE ARG A 747 1.603 -5.670 10.397 1.00 0.00 H new ATOM 0 HH11 ARG A 747 4.322 -4.968 8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 747 5.516 -5.670 9.355 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.144 -6.571 11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 747 4.852 -6.573 11.352 1.00 0.00 H new ATOM 906 N GLN A 748 -3.175 -7.454 8.365 1.00 0.00 N ATOM 907 CA GLN A 748 -3.857 -8.737 8.245 1.00 0.00 C ATOM 908 C GLN A 748 -5.102 -8.613 7.373 1.00 0.00 C ATOM 909 O GLN A 748 -5.353 -9.453 6.509 1.00 0.00 O ATOM 910 CB GLN A 748 -4.240 -9.266 9.628 1.00 0.00 C ATOM 911 CG GLN A 748 -3.046 -9.661 10.481 1.00 0.00 C ATOM 912 CD GLN A 748 -2.433 -10.980 10.052 1.00 0.00 C ATOM 913 OE1 GLN A 748 -2.758 -11.513 8.991 1.00 0.00 O ATOM 914 NE2 GLN A 748 -1.541 -11.515 10.877 1.00 0.00 N ATOM 0 H GLN A 748 -3.333 -6.973 9.250 1.00 0.00 H new ATOM 0 HA GLN A 748 -3.172 -9.440 7.771 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -4.814 -8.503 10.153 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -4.893 -10.131 9.509 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -2.290 -8.878 10.425 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -3.356 -9.731 11.524 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -1.301 -11.039 11.747 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -1.096 -12.402 10.641 1.00 0.00 H new ATOM 923 N ARG A 749 -5.879 -7.560 7.605 1.00 0.00 N ATOM 924 CA ARG A 749 -7.098 -7.327 6.841 1.00 0.00 C ATOM 925 C ARG A 749 -6.794 -7.219 5.350 1.00 0.00 C ATOM 926 O ARG A 749 -7.696 -7.286 4.514 1.00 0.00 O ATOM 927 CB ARG A 749 -7.792 -6.052 7.324 1.00 0.00 C ATOM 928 CG ARG A 749 -8.516 -6.217 8.650 1.00 0.00 C ATOM 929 CD ARG A 749 -9.370 -5.002 8.975 1.00 0.00 C ATOM 930 NE ARG A 749 -9.853 -5.024 10.353 1.00 0.00 N ATOM 931 CZ ARG A 749 -10.314 -3.951 10.987 1.00 0.00 C ATOM 932 NH1 ARG A 749 -10.354 -2.778 10.371 1.00 0.00 N ATOM 933 NH2 ARG A 749 -10.736 -4.051 12.241 1.00 0.00 N ATOM 0 H ARG A 749 -5.686 -6.855 8.316 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.762 -8.177 6.998 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -7.050 -5.259 7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -8.507 -5.729 6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -9.146 -7.106 8.613 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.788 -6.374 9.446 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -8.788 -4.095 8.810 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -10.220 -4.964 8.294 1.00 0.00 H new ATOM 0 HE ARG A 749 -9.836 -5.911 10.856 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -10.030 -2.697 9.407 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -10.709 -1.957 10.861 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -10.707 -4.952 12.719 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -11.090 -3.227 12.727 1.00 0.00 H new ATOM 947 N LEU A 750 -5.517 -7.051 5.023 1.00 0.00 N ATOM 948 CA LEU A 750 -5.093 -6.933 3.632 1.00 0.00 C ATOM 949 C LEU A 750 -4.555 -8.263 3.112 1.00 0.00 C ATOM 950 O LEU A 750 -3.684 -8.877 3.729 1.00 0.00 O ATOM 951 CB LEU A 750 -4.022 -5.849 3.495 1.00 0.00 C ATOM 952 CG LEU A 750 -4.325 -4.517 4.182 1.00 0.00 C ATOM 953 CD1 LEU A 750 -3.061 -3.679 4.303 1.00 0.00 C ATOM 954 CD2 LEU A 750 -5.400 -3.755 3.421 1.00 0.00 C ATOM 0 H LEU A 750 -4.758 -6.993 5.702 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.962 -6.655 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -3.086 -6.238 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.859 -5.659 2.434 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.697 -4.725 5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -3.296 -2.735 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -2.321 -4.220 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.659 -3.481 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.602 -2.810 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -5.057 -3.558 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -6.313 -4.350 3.387 1.00 0.00 H new ATOM 966 N THR A 751 -5.079 -8.702 1.972 1.00 0.00 N ATOM 967 CA THR A 751 -4.652 -9.958 1.369 1.00 0.00 C ATOM 968 C THR A 751 -3.933 -9.715 0.046 1.00 0.00 C ATOM 969 O THR A 751 -4.565 -9.448 -0.976 1.00 0.00 O ATOM 970 CB THR A 751 -5.846 -10.899 1.126 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.599 -11.058 2.334 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.372 -12.259 0.635 1.00 0.00 C ATOM 0 H THR A 751 -5.800 -8.206 1.448 1.00 0.00 H new ATOM 0 HA THR A 751 -3.965 -10.429 2.072 1.00 0.00 H new ATOM 0 HB THR A 751 -6.480 -10.454 0.359 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.358 -11.657 2.170 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.233 -12.907 0.470 1.00 0.00 H new ATOM 0 HG22 THR A 751 -4.825 -12.138 -0.300 1.00 0.00 H new ATOM 0 HG23 THR A 751 -4.718 -12.708 1.383 1.00 0.00 H new ATOM 980 N THR A 752 -2.608 -9.811 0.072 1.00 0.00 N ATOM 981 CA THR A 752 -1.803 -9.602 -1.125 1.00 0.00 C ATOM 982 C THR A 752 -2.399 -10.332 -2.323 1.00 0.00 C ATOM 983 O THR A 752 -2.532 -11.556 -2.314 1.00 0.00 O ATOM 984 CB THR A 752 -0.353 -10.079 -0.917 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.346 -11.385 -0.330 1.00 0.00 O ATOM 986 CG2 THR A 752 0.412 -9.112 -0.026 1.00 0.00 C ATOM 0 H THR A 752 -2.069 -10.032 0.909 1.00 0.00 H new ATOM 0 HA THR A 752 -1.801 -8.530 -1.321 1.00 0.00 H new ATOM 0 HB THR A 752 0.137 -10.117 -1.890 1.00 0.00 H new ATOM 0 HG1 THR A 752 -1.105 -11.902 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.433 -9.470 0.107 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.430 -8.126 -0.490 1.00 0.00 H new ATOM 0 HG23 THR A 752 -0.078 -9.046 0.945 1.00 0.00 H new ATOM 994 N VAL A 753 -2.757 -9.574 -3.355 1.00 0.00 N ATOM 995 CA VAL A 753 -3.337 -10.150 -4.562 1.00 0.00 C ATOM 996 C VAL A 753 -2.348 -11.075 -5.260 1.00 0.00 C ATOM 997 O VAL A 753 -2.709 -12.162 -5.710 1.00 0.00 O ATOM 998 CB VAL A 753 -3.783 -9.054 -5.548 1.00 0.00 C ATOM 999 CG1 VAL A 753 -4.269 -9.672 -6.850 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -4.864 -8.184 -4.925 1.00 0.00 C ATOM 0 H VAL A 753 -2.655 -8.559 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 753 -4.209 -10.725 -4.251 1.00 0.00 H new ATOM 0 HB VAL A 753 -2.924 -8.421 -5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -4.580 -8.882 -7.534 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.462 -10.248 -7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -5.114 -10.330 -6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -5.167 -7.415 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.725 -8.801 -4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -4.476 -7.711 -4.023 1.00 0.00 H new