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 Set 1.1: A 713 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 751 THR OG1 : rot -170:sc= -0.186 USER MOD Single : A 703 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.81) USER MOD Single : A 708 GLN : amide:sc= -0.632 K(o=-0.63,f=-1.8!) USER MOD Single : A 709 THR OG1 : rot 180:sc= 0 USER MOD Single : A 714 GLN : amide:sc= -3.27! C(o=-3.3!,f=-7.9!) USER MOD Single : A 717 TYR OH : rot 180:sc= 0 USER MOD Single : A 718 LYS NZ :NH3+ -132:sc= 0.236 (180deg=0) USER MOD Single : A 720 TYR OH : rot 180:sc= 0 USER MOD Single : A 725 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.775) 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= -0.847 USER MOD Single : A 737 HIS : no HE2:sc= -1.01 K(o=-1,f=-4.6!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot 130:sc= -0.238 USER MOD Single : A 740 CYS SG : rot 41:sc= 0.551 USER MOD Single : A 741 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 34:sc= 0.355 USER MOD Single : A 748 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.75) USER MOD Single : A 752 THR OG1 : rot 43:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 10.024 -1.084 3.732 1.00 0.00 N ATOM 217 CA ASN A 703 9.245 -0.507 2.642 1.00 0.00 C ATOM 218 C ASN A 703 9.252 -1.426 1.424 1.00 0.00 C ATOM 219 O ASN A 703 9.257 -0.961 0.285 1.00 0.00 O ATOM 220 CB ASN A 703 9.801 0.866 2.262 1.00 0.00 C ATOM 221 CG ASN A 703 10.144 1.708 3.476 1.00 0.00 C ATOM 222 OD1 ASN A 703 11.028 1.357 4.258 1.00 0.00 O ATOM 223 ND2 ASN A 703 9.444 2.824 3.639 1.00 0.00 N ATOM 0 HA ASN A 703 8.216 -0.393 2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 703 10.693 0.737 1.649 1.00 0.00 H new ATOM 0 HB3 ASN A 703 9.069 1.395 1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 703 9.630 3.430 4.438 1.00 0.00 H new ATOM 0 HD22 ASN A 703 8.721 3.075 2.965 1.00 0.00 H new ATOM 230 N GLU A 704 9.250 -2.732 1.674 1.00 0.00 N ATOM 231 CA GLU A 704 9.256 -3.715 0.598 1.00 0.00 C ATOM 232 C GLU A 704 7.847 -3.939 0.057 1.00 0.00 C ATOM 233 O GLU A 704 7.621 -3.907 -1.153 1.00 0.00 O ATOM 234 CB GLU A 704 9.842 -5.040 1.090 1.00 0.00 C ATOM 235 CG GLU A 704 10.469 -5.876 -0.013 1.00 0.00 C ATOM 236 CD GLU A 704 10.715 -7.311 0.411 1.00 0.00 C ATOM 237 OE1 GLU A 704 9.768 -8.121 0.334 1.00 0.00 O ATOM 238 OE2 GLU A 704 11.853 -7.624 0.818 1.00 0.00 O ATOM 0 H GLU A 704 9.244 -3.133 2.612 1.00 0.00 H new ATOM 0 HA GLU A 704 9.879 -3.328 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 704 10.595 -4.834 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 704 9.054 -5.620 1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 704 9.817 -5.866 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 704 11.413 -5.423 -0.315 1.00 0.00 H new ATOM 245 N LEU A 705 6.902 -4.166 0.963 1.00 0.00 N ATOM 246 CA LEU A 705 5.513 -4.396 0.579 1.00 0.00 C ATOM 247 C LEU A 705 4.912 -3.150 -0.063 1.00 0.00 C ATOM 248 O LEU A 705 3.820 -3.197 -0.629 1.00 0.00 O ATOM 249 CB LEU A 705 4.687 -4.804 1.800 1.00 0.00 C ATOM 250 CG LEU A 705 3.170 -4.830 1.605 1.00 0.00 C ATOM 251 CD1 LEU A 705 2.781 -5.893 0.590 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.467 -5.073 2.932 1.00 0.00 C ATOM 0 H LEU A 705 7.072 -4.196 1.968 1.00 0.00 H new ATOM 0 HA LEU A 705 5.493 -5.204 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 705 5.010 -5.796 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 705 4.917 -4.118 2.615 1.00 0.00 H new ATOM 0 HG LEU A 705 2.854 -3.859 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.698 -5.897 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.257 -5.675 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 705 3.109 -6.871 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.388 -5.088 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.788 -6.030 3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.721 -4.275 3.630 1.00 0.00 H new ATOM 264 N ILE A 706 5.634 -2.038 0.026 1.00 0.00 N ATOM 265 CA ILE A 706 5.173 -0.780 -0.549 1.00 0.00 C ATOM 266 C ILE A 706 5.204 -0.829 -2.073 1.00 0.00 C ATOM 267 O ILE A 706 6.272 -0.817 -2.683 1.00 0.00 O ATOM 268 CB ILE A 706 6.029 0.406 -0.067 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.775 0.676 1.417 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.729 1.646 -0.896 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.466 -0.571 2.215 1.00 0.00 C ATOM 0 H ILE A 706 6.540 -1.983 0.491 1.00 0.00 H new ATOM 0 HA ILE A 706 4.146 -0.636 -0.213 1.00 0.00 H new ATOM 0 HB ILE A 706 7.081 0.153 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.652 1.163 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 706 4.944 1.374 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.341 2.476 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 706 5.955 1.447 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.675 1.905 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 706 5.297 -0.303 3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.572 -1.048 1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.306 -1.262 2.149 1.00 0.00 H new ATOM 283 N GLY A 707 4.023 -0.882 -2.682 1.00 0.00 N ATOM 284 CA GLY A 707 3.937 -0.929 -4.129 1.00 0.00 C ATOM 285 C GLY A 707 3.230 -2.175 -4.627 1.00 0.00 C ATOM 286 O GLY A 707 2.818 -2.240 -5.785 1.00 0.00 O ATOM 0 H GLY A 707 3.125 -0.893 -2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.407 -0.046 -4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.941 -0.891 -4.551 1.00 0.00 H new ATOM 290 N GLN A 708 3.091 -3.164 -3.751 1.00 0.00 N ATOM 291 CA GLN A 708 2.431 -4.414 -4.110 1.00 0.00 C ATOM 292 C GLN A 708 0.920 -4.227 -4.195 1.00 0.00 C ATOM 293 O GLN A 708 0.365 -3.291 -3.619 1.00 0.00 O ATOM 294 CB GLN A 708 2.766 -5.503 -3.090 1.00 0.00 C ATOM 295 CG GLN A 708 4.254 -5.644 -2.815 1.00 0.00 C ATOM 296 CD GLN A 708 5.090 -5.569 -4.078 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.668 -6.021 -5.143 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.283 -4.996 -3.966 1.00 0.00 N ATOM 0 H GLN A 708 3.426 -3.125 -2.788 1.00 0.00 H new ATOM 0 HA GLN A 708 2.796 -4.720 -5.090 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.252 -5.283 -2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.380 -6.457 -3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.569 -4.858 -2.128 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.439 -6.596 -2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.593 -4.635 -3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.889 -4.917 -4.782 1.00 0.00 H new ATOM 307 N THR A 709 0.257 -5.125 -4.918 1.00 0.00 N ATOM 308 CA THR A 709 -1.190 -5.058 -5.080 1.00 0.00 C ATOM 309 C THR A 709 -1.899 -5.936 -4.054 1.00 0.00 C ATOM 310 O THR A 709 -1.878 -7.163 -4.152 1.00 0.00 O ATOM 311 CB THR A 709 -1.618 -5.494 -6.494 1.00 0.00 C ATOM 312 OG1 THR A 709 -1.037 -4.622 -7.471 1.00 0.00 O ATOM 313 CG2 THR A 709 -3.133 -5.479 -6.630 1.00 0.00 C ATOM 0 H THR A 709 0.700 -5.907 -5.401 1.00 0.00 H new ATOM 0 HA THR A 709 -1.477 -4.018 -4.926 1.00 0.00 H new ATOM 0 HB THR A 709 -1.265 -6.512 -6.660 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.312 -4.906 -8.368 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.411 -5.790 -7.637 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.570 -6.165 -5.904 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.505 -4.471 -6.446 1.00 0.00 H new ATOM 321 N VAL A 710 -2.526 -5.299 -3.071 1.00 0.00 N ATOM 322 CA VAL A 710 -3.244 -6.022 -2.027 1.00 0.00 C ATOM 323 C VAL A 710 -4.749 -5.810 -2.148 1.00 0.00 C ATOM 324 O VAL A 710 -5.203 -4.859 -2.783 1.00 0.00 O ATOM 325 CB VAL A 710 -2.785 -5.584 -0.624 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.295 -5.834 -0.446 1.00 0.00 C ATOM 327 CG2 VAL A 710 -3.120 -4.119 -0.387 1.00 0.00 C ATOM 0 H VAL A 710 -2.552 -4.284 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 710 -3.017 -7.080 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.319 -6.180 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -0.990 -5.518 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.087 -6.897 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.739 -5.266 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.789 -3.827 0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.615 -3.505 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.197 -3.974 -0.468 1.00 0.00 H new ATOM 337 N ARG A 711 -5.517 -6.703 -1.532 1.00 0.00 N ATOM 338 CA ARG A 711 -6.972 -6.614 -1.571 1.00 0.00 C ATOM 339 C ARG A 711 -7.561 -6.736 -0.169 1.00 0.00 C ATOM 340 O ARG A 711 -7.550 -7.813 0.429 1.00 0.00 O ATOM 341 CB ARG A 711 -7.547 -7.707 -2.474 1.00 0.00 C ATOM 342 CG ARG A 711 -9.063 -7.675 -2.579 1.00 0.00 C ATOM 343 CD ARG A 711 -9.597 -8.898 -3.309 1.00 0.00 C ATOM 344 NE ARG A 711 -10.918 -8.659 -3.883 1.00 0.00 N ATOM 345 CZ ARG A 711 -11.411 -9.350 -4.905 1.00 0.00 C ATOM 346 NH1 ARG A 711 -10.696 -10.318 -5.461 1.00 0.00 N ATOM 347 NH2 ARG A 711 -12.621 -9.073 -5.372 1.00 0.00 N ATOM 0 H ARG A 711 -5.156 -7.495 -1.001 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.241 -5.639 -1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -7.120 -7.604 -3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -7.238 -8.681 -2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.497 -7.628 -1.580 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.373 -6.772 -3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -8.903 -9.179 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -9.649 -9.739 -2.617 1.00 0.00 H new ATOM 0 HE ARG A 711 -11.494 -7.921 -3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -9.765 -10.534 -5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -11.077 -10.847 -6.246 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -13.174 -8.329 -4.946 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -12.999 -9.604 -6.157 1.00 0.00 H new ATOM 361 N ILE A 712 -8.075 -5.626 0.350 1.00 0.00 N ATOM 362 CA ILE A 712 -8.669 -5.609 1.681 1.00 0.00 C ATOM 363 C ILE A 712 -9.777 -6.649 1.802 1.00 0.00 C ATOM 364 O ILE A 712 -10.888 -6.448 1.313 1.00 0.00 O ATOM 365 CB ILE A 712 -9.244 -4.222 2.023 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.145 -3.159 1.953 1.00 0.00 C ATOM 367 CG2 ILE A 712 -9.883 -4.239 3.404 1.00 0.00 C ATOM 368 CD1 ILE A 712 -8.674 -1.742 1.947 1.00 0.00 C ATOM 0 H ILE A 712 -8.092 -4.727 -0.131 1.00 0.00 H new ATOM 0 HA ILE A 712 -7.872 -5.847 2.385 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.012 -3.973 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -7.475 -3.284 2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.552 -3.320 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.285 -3.252 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -10.690 -4.972 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.133 -4.506 4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -7.840 -1.042 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.321 -1.599 1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.243 -1.562 2.859 1.00 0.00 H new ATOM 380 N SER A 713 -9.467 -7.763 2.459 1.00 0.00 N ATOM 381 CA SER A 713 -10.436 -8.837 2.643 1.00 0.00 C ATOM 382 C SER A 713 -11.096 -8.743 4.015 1.00 0.00 C ATOM 383 O SER A 713 -11.602 -9.735 4.540 1.00 0.00 O ATOM 384 CB SER A 713 -9.756 -10.198 2.483 1.00 0.00 C ATOM 385 OG SER A 713 -9.599 -10.533 1.115 1.00 0.00 O ATOM 0 H SER A 713 -8.552 -7.945 2.872 1.00 0.00 H new ATOM 0 HA SER A 713 -11.208 -8.733 1.880 1.00 0.00 H new ATOM 0 HB2 SER A 713 -8.781 -10.180 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 713 -10.348 -10.965 2.983 1.00 0.00 H new ATOM 0 HG SER A 713 -9.161 -11.406 1.040 1.00 0.00 H new ATOM 391 N GLN A 714 -11.088 -7.544 4.588 1.00 0.00 N ATOM 392 CA GLN A 714 -11.685 -7.321 5.899 1.00 0.00 C ATOM 393 C GLN A 714 -12.221 -5.898 6.018 1.00 0.00 C ATOM 394 O GLN A 714 -12.135 -5.111 5.076 1.00 0.00 O ATOM 395 CB GLN A 714 -10.659 -7.585 7.002 1.00 0.00 C ATOM 396 CG GLN A 714 -10.606 -9.037 7.449 1.00 0.00 C ATOM 397 CD GLN A 714 -9.653 -9.870 6.615 1.00 0.00 C ATOM 398 OE1 GLN A 714 -9.116 -9.401 5.611 1.00 0.00 O ATOM 399 NE2 GLN A 714 -9.437 -11.114 7.027 1.00 0.00 N ATOM 0 H GLN A 714 -10.675 -6.713 4.165 1.00 0.00 H new ATOM 0 HA GLN A 714 -12.518 -8.015 6.013 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -9.672 -7.286 6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -10.893 -6.957 7.862 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -10.301 -9.080 8.494 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -11.606 -9.468 7.391 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -9.903 -11.462 7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -8.805 -11.721 6.506 1.00 0.00 H new ATOM 408 N GLY A 715 -12.776 -5.575 7.182 1.00 0.00 N ATOM 409 CA GLY A 715 -13.319 -4.247 7.402 1.00 0.00 C ATOM 410 C GLY A 715 -14.427 -3.905 6.426 1.00 0.00 C ATOM 411 O GLY A 715 -14.945 -4.766 5.715 1.00 0.00 O ATOM 0 H GLY A 715 -12.859 -6.209 7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -13.702 -4.178 8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.520 -3.511 7.312 1.00 0.00 H new ATOM 415 N PRO A 716 -14.808 -2.619 6.384 1.00 0.00 N ATOM 416 CA PRO A 716 -15.867 -2.136 5.493 1.00 0.00 C ATOM 417 C PRO A 716 -15.447 -2.161 4.027 1.00 0.00 C ATOM 418 O PRO A 716 -16.268 -2.394 3.140 1.00 0.00 O ATOM 419 CB PRO A 716 -16.093 -0.696 5.959 1.00 0.00 C ATOM 420 CG PRO A 716 -14.802 -0.292 6.583 1.00 0.00 C ATOM 421 CD PRO A 716 -14.234 -1.538 7.203 1.00 0.00 C ATOM 0 HA PRO A 716 -16.759 -2.760 5.544 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.349 -0.045 5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -16.914 -0.635 6.673 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -14.120 0.119 5.838 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -14.957 0.482 7.335 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.145 -1.543 7.169 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -14.520 -1.632 8.250 1.00 0.00 H new ATOM 429 N TYR A 717 -14.164 -1.921 3.780 1.00 0.00 N ATOM 430 CA TYR A 717 -13.636 -1.914 2.421 1.00 0.00 C ATOM 431 C TYR A 717 -13.270 -3.326 1.971 1.00 0.00 C ATOM 432 O TYR A 717 -12.208 -3.550 1.391 1.00 0.00 O ATOM 433 CB TYR A 717 -12.409 -1.005 2.332 1.00 0.00 C ATOM 434 CG TYR A 717 -12.656 0.397 2.842 1.00 0.00 C ATOM 435 CD1 TYR A 717 -12.554 0.692 4.196 1.00 0.00 C ATOM 436 CD2 TYR A 717 -12.993 1.425 1.971 1.00 0.00 C ATOM 437 CE1 TYR A 717 -12.779 1.971 4.667 1.00 0.00 C ATOM 438 CE2 TYR A 717 -13.219 2.707 2.433 1.00 0.00 C ATOM 439 CZ TYR A 717 -13.111 2.975 3.781 1.00 0.00 C ATOM 440 OH TYR A 717 -13.337 4.251 4.245 1.00 0.00 O ATOM 0 H TYR A 717 -13.471 -1.729 4.503 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.413 -1.531 1.759 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.594 -1.452 2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -12.081 -0.952 1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -12.294 -0.092 4.892 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -13.080 1.219 0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -12.695 2.184 5.723 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -13.479 3.495 1.742 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.559 4.838 3.492 1.00 0.00 H new ATOM 450 N LYS A 718 -14.159 -4.275 2.244 1.00 0.00 N ATOM 451 CA LYS A 718 -13.934 -5.666 1.868 1.00 0.00 C ATOM 452 C LYS A 718 -14.102 -5.856 0.363 1.00 0.00 C ATOM 453 O LYS A 718 -15.088 -5.412 -0.222 1.00 0.00 O ATOM 454 CB LYS A 718 -14.902 -6.582 2.619 1.00 0.00 C ATOM 455 CG LYS A 718 -14.870 -8.023 2.141 1.00 0.00 C ATOM 456 CD LYS A 718 -15.521 -8.959 3.146 1.00 0.00 C ATOM 457 CE LYS A 718 -15.346 -10.416 2.746 1.00 0.00 C ATOM 458 NZ LYS A 718 -14.082 -10.991 3.283 1.00 0.00 N ATOM 0 H LYS A 718 -15.043 -4.106 2.725 1.00 0.00 H new ATOM 0 HA LYS A 718 -12.911 -5.929 2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.663 -6.555 3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -15.915 -6.194 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.385 -8.101 1.183 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -13.837 -8.329 1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.085 -8.796 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -16.583 -8.727 3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -16.193 -10.997 3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -15.349 -10.497 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -13.579 -11.493 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -13.481 -10.226 3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -14.302 -11.657 4.051 1.00 0.00 H new ATOM 472 N GLY A 719 -13.131 -6.521 -0.257 1.00 0.00 N ATOM 473 CA GLY A 719 -13.192 -6.759 -1.687 1.00 0.00 C ATOM 474 C GLY A 719 -12.746 -5.556 -2.494 1.00 0.00 C ATOM 475 O GLY A 719 -13.308 -5.266 -3.551 1.00 0.00 O ATOM 0 H GLY A 719 -12.304 -6.899 0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.564 -7.614 -1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.213 -7.021 -1.965 1.00 0.00 H new ATOM 479 N TYR A 720 -11.734 -4.854 -1.997 1.00 0.00 N ATOM 480 CA TYR A 720 -11.216 -3.673 -2.678 1.00 0.00 C ATOM 481 C TYR A 720 -9.719 -3.809 -2.941 1.00 0.00 C ATOM 482 O TYR A 720 -8.971 -4.300 -2.095 1.00 0.00 O ATOM 483 CB TYR A 720 -11.486 -2.419 -1.845 1.00 0.00 C ATOM 484 CG TYR A 720 -12.887 -1.874 -2.010 1.00 0.00 C ATOM 485 CD1 TYR A 720 -13.996 -2.640 -1.675 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.101 -0.591 -2.499 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.278 -2.146 -1.825 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.379 -0.088 -2.651 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.464 -0.869 -2.313 1.00 0.00 C ATOM 490 OH TYR A 720 -16.738 -0.373 -2.462 1.00 0.00 O ATOM 0 H TYR A 720 -11.256 -5.082 -1.125 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.729 -3.583 -3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.315 -2.648 -0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.769 -1.646 -2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -13.854 -3.639 -1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.254 0.024 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.129 -2.756 -1.562 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.527 0.911 -3.032 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.694 0.540 -2.816 1.00 0.00 H new ATOM 500 N ILE A 721 -9.291 -3.371 -4.120 1.00 0.00 N ATOM 501 CA ILE A 721 -7.884 -3.441 -4.495 1.00 0.00 C ATOM 502 C ILE A 721 -7.173 -2.122 -4.213 1.00 0.00 C ATOM 503 O ILE A 721 -7.758 -1.048 -4.348 1.00 0.00 O ATOM 504 CB ILE A 721 -7.716 -3.795 -5.985 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.504 -5.061 -6.323 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.243 -3.975 -6.323 1.00 0.00 C ATOM 507 CD1 ILE A 721 -8.029 -6.287 -5.576 1.00 0.00 C ATOM 0 H ILE A 721 -9.898 -2.964 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.435 -4.229 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 721 -8.109 -2.974 -6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.557 -4.894 -6.098 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.433 -5.248 -7.394 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -6.140 -4.225 -7.379 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.706 -3.049 -6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.826 -4.780 -5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.633 -7.147 -5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -6.984 -6.479 -5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -8.126 -6.120 -4.503 1.00 0.00 H new ATOM 519 N GLY A 722 -5.905 -2.211 -3.823 1.00 0.00 N ATOM 520 CA GLY A 722 -5.134 -1.017 -3.530 1.00 0.00 C ATOM 521 C GLY A 722 -3.645 -1.291 -3.459 1.00 0.00 C ATOM 522 O GLY A 722 -3.225 -2.434 -3.276 1.00 0.00 O ATOM 0 H GLY A 722 -5.398 -3.088 -3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.326 -0.267 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.468 -0.596 -2.582 1.00 0.00 H new ATOM 526 N VAL A 723 -2.843 -0.241 -3.605 1.00 0.00 N ATOM 527 CA VAL A 723 -1.392 -0.374 -3.557 1.00 0.00 C ATOM 528 C VAL A 723 -0.837 0.138 -2.232 1.00 0.00 C ATOM 529 O VAL A 723 -1.133 1.257 -1.813 1.00 0.00 O ATOM 530 CB VAL A 723 -0.719 0.390 -4.712 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.778 0.512 -4.472 1.00 0.00 C ATOM 532 CG2 VAL A 723 -1.001 -0.297 -6.040 1.00 0.00 C ATOM 0 H VAL A 723 -3.174 0.712 -3.758 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.168 -1.436 -3.656 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.138 1.395 -4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.236 1.055 -5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 723 0.955 1.052 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.218 -0.483 -4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.518 0.256 -6.846 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.611 -1.314 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -2.077 -0.326 -6.214 1.00 0.00 H new ATOM 542 N VAL A 724 -0.029 -0.689 -1.577 1.00 0.00 N ATOM 543 CA VAL A 724 0.570 -0.320 -0.299 1.00 0.00 C ATOM 544 C VAL A 724 1.541 0.843 -0.464 1.00 0.00 C ATOM 545 O VAL A 724 2.606 0.698 -1.064 1.00 0.00 O ATOM 546 CB VAL A 724 1.315 -1.510 0.336 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.920 -1.108 1.672 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.378 -2.697 0.501 1.00 0.00 C ATOM 0 H VAL A 724 0.226 -1.619 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.246 -0.019 0.358 1.00 0.00 H new ATOM 0 HB VAL A 724 2.126 -1.806 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.442 -1.961 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.624 -0.290 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 724 1.128 -0.785 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 724 0.920 -3.529 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.455 -2.416 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 724 -0.003 -2.998 -0.475 1.00 0.00 H new ATOM 558 N LYS A 725 1.167 1.999 0.074 1.00 0.00 N ATOM 559 CA LYS A 725 2.005 3.190 -0.010 1.00 0.00 C ATOM 560 C LYS A 725 2.949 3.277 1.185 1.00 0.00 C ATOM 561 O LYS A 725 4.081 3.743 1.061 1.00 0.00 O ATOM 562 CB LYS A 725 1.135 4.447 -0.079 1.00 0.00 C ATOM 563 CG LYS A 725 -0.004 4.344 -1.079 1.00 0.00 C ATOM 564 CD LYS A 725 0.509 4.069 -2.482 1.00 0.00 C ATOM 565 CE LYS A 725 0.972 5.346 -3.167 1.00 0.00 C ATOM 566 NZ LYS A 725 2.424 5.596 -2.951 1.00 0.00 N ATOM 0 H LYS A 725 0.288 2.137 0.573 1.00 0.00 H new ATOM 0 HA LYS A 725 2.603 3.119 -0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.722 4.648 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 725 1.762 5.299 -0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.684 3.547 -0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -0.577 5.271 -1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 725 1.335 3.360 -2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 725 -0.279 3.603 -3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 725 0.770 5.278 -4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 725 0.398 6.191 -2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 2.564 6.578 -2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 2.784 4.946 -2.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 2.939 5.439 -3.841 1.00 0.00 H new ATOM 580 N ASP A 726 2.475 2.825 2.341 1.00 0.00 N ATOM 581 CA ASP A 726 3.278 2.850 3.559 1.00 0.00 C ATOM 582 C ASP A 726 2.953 1.653 4.448 1.00 0.00 C ATOM 583 O ASP A 726 1.816 1.184 4.483 1.00 0.00 O ATOM 584 CB ASP A 726 3.039 4.151 4.326 1.00 0.00 C ATOM 585 CG ASP A 726 4.249 4.578 5.133 1.00 0.00 C ATOM 586 OD1 ASP A 726 5.365 4.576 4.573 1.00 0.00 O ATOM 587 OD2 ASP A 726 4.081 4.913 6.324 1.00 0.00 O ATOM 0 H ASP A 726 1.539 2.437 2.461 1.00 0.00 H new ATOM 0 HA ASP A 726 4.329 2.794 3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.778 4.941 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.187 4.024 4.994 1.00 0.00 H new ATOM 592 N ALA A 727 3.961 1.164 5.163 1.00 0.00 N ATOM 593 CA ALA A 727 3.782 0.023 6.053 1.00 0.00 C ATOM 594 C ALA A 727 3.830 0.454 7.515 1.00 0.00 C ATOM 595 O ALA A 727 4.858 0.926 8.001 1.00 0.00 O ATOM 596 CB ALA A 727 4.844 -1.032 5.777 1.00 0.00 C ATOM 0 H ALA A 727 4.909 1.540 5.143 1.00 0.00 H new ATOM 0 HA ALA A 727 2.799 -0.406 5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.699 -1.878 6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.761 -1.370 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.833 -0.604 5.941 1.00 0.00 H new ATOM 602 N THR A 728 2.710 0.290 8.212 1.00 0.00 N ATOM 603 CA THR A 728 2.623 0.663 9.618 1.00 0.00 C ATOM 604 C THR A 728 2.731 -0.561 10.520 1.00 0.00 C ATOM 605 O THR A 728 2.489 -1.686 10.085 1.00 0.00 O ATOM 606 CB THR A 728 1.304 1.398 9.924 1.00 0.00 C ATOM 607 OG1 THR A 728 0.877 2.137 8.774 1.00 0.00 O ATOM 608 CG2 THR A 728 1.470 2.340 11.106 1.00 0.00 C ATOM 0 H THR A 728 1.850 -0.099 7.825 1.00 0.00 H new ATOM 0 HA THR A 728 3.459 1.333 9.819 1.00 0.00 H new ATOM 0 HB THR A 728 0.550 0.653 10.178 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.037 2.600 8.976 1.00 0.00 H new ATOM 0 HG21 THR A 728 0.525 2.847 11.302 1.00 0.00 H new ATOM 0 HG22 THR A 728 1.766 1.770 11.987 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.238 3.079 10.877 1.00 0.00 H new ATOM 616 N GLU A 729 3.094 -0.333 11.778 1.00 0.00 N ATOM 617 CA GLU A 729 3.234 -1.419 12.741 1.00 0.00 C ATOM 618 C GLU A 729 2.022 -2.346 12.695 1.00 0.00 C ATOM 619 O GLU A 729 2.128 -3.504 12.293 1.00 0.00 O ATOM 620 CB GLU A 729 3.408 -0.859 14.154 1.00 0.00 C ATOM 621 CG GLU A 729 3.634 -1.928 15.209 1.00 0.00 C ATOM 622 CD GLU A 729 4.326 -1.390 16.447 1.00 0.00 C ATOM 623 OE1 GLU A 729 5.535 -1.089 16.367 1.00 0.00 O ATOM 624 OE2 GLU A 729 3.657 -1.270 17.495 1.00 0.00 O ATOM 0 H GLU A 729 3.296 0.593 12.154 1.00 0.00 H new ATOM 0 HA GLU A 729 4.121 -1.994 12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 729 4.252 -0.169 14.161 1.00 0.00 H new ATOM 0 HB3 GLU A 729 2.522 -0.281 14.418 1.00 0.00 H new ATOM 0 HG2 GLU A 729 2.675 -2.361 15.493 1.00 0.00 H new ATOM 0 HG3 GLU A 729 4.234 -2.732 14.783 1.00 0.00 H new ATOM 631 N SER A 730 0.871 -1.826 13.111 1.00 0.00 N ATOM 632 CA SER A 730 -0.360 -2.607 13.122 1.00 0.00 C ATOM 633 C SER A 730 -1.324 -2.116 12.046 1.00 0.00 C ATOM 634 O SER A 730 -2.539 -2.282 12.161 1.00 0.00 O ATOM 635 CB SER A 730 -1.027 -2.527 14.496 1.00 0.00 C ATOM 636 OG SER A 730 -0.225 -3.142 15.489 1.00 0.00 O ATOM 0 H SER A 730 0.766 -0.868 13.445 1.00 0.00 H new ATOM 0 HA SER A 730 -0.105 -3.645 12.910 1.00 0.00 H new ATOM 0 HB2 SER A 730 -1.201 -1.484 14.759 1.00 0.00 H new ATOM 0 HB3 SER A 730 -2.002 -3.013 14.459 1.00 0.00 H new ATOM 0 HG SER A 730 -0.673 -3.076 16.358 1.00 0.00 H new ATOM 642 N THR A 731 -0.774 -1.509 10.999 1.00 0.00 N ATOM 643 CA THR A 731 -1.583 -0.992 9.903 1.00 0.00 C ATOM 644 C THR A 731 -0.745 -0.799 8.644 1.00 0.00 C ATOM 645 O THR A 731 0.476 -0.949 8.671 1.00 0.00 O ATOM 646 CB THR A 731 -2.245 0.348 10.276 1.00 0.00 C ATOM 647 OG1 THR A 731 -1.421 1.059 11.207 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.622 0.121 10.881 1.00 0.00 C ATOM 0 H THR A 731 0.229 -1.363 10.887 1.00 0.00 H new ATOM 0 HA THR A 731 -2.360 -1.731 9.709 1.00 0.00 H new ATOM 0 HB THR A 731 -2.358 0.938 9.366 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.848 1.910 11.438 1.00 0.00 H new ATOM 0 HG21 THR A 731 -4.070 1.081 11.136 1.00 0.00 H new ATOM 0 HG22 THR A 731 -4.256 -0.395 10.160 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.528 -0.487 11.781 1.00 0.00 H new ATOM 656 N ALA A 732 -1.409 -0.464 7.543 1.00 0.00 N ATOM 657 CA ALA A 732 -0.724 -0.247 6.274 1.00 0.00 C ATOM 658 C ALA A 732 -1.475 0.760 5.410 1.00 0.00 C ATOM 659 O ALA A 732 -2.633 0.545 5.054 1.00 0.00 O ATOM 660 CB ALA A 732 -0.560 -1.564 5.531 1.00 0.00 C ATOM 0 H ALA A 732 -2.420 -0.337 7.504 1.00 0.00 H new ATOM 0 HA ALA A 732 0.263 0.162 6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 732 -0.047 -1.387 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 732 0.026 -2.254 6.138 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.541 -1.996 5.336 1.00 0.00 H new ATOM 666 N ARG A 733 -0.807 1.860 5.076 1.00 0.00 N ATOM 667 CA ARG A 733 -1.413 2.902 4.255 1.00 0.00 C ATOM 668 C ARG A 733 -1.515 2.456 2.800 1.00 0.00 C ATOM 669 O ARG A 733 -0.556 2.569 2.036 1.00 0.00 O ATOM 670 CB ARG A 733 -0.597 4.193 4.349 1.00 0.00 C ATOM 671 CG ARG A 733 -0.458 4.724 5.766 1.00 0.00 C ATOM 672 CD ARG A 733 -1.754 5.353 6.254 1.00 0.00 C ATOM 673 NE ARG A 733 -1.529 6.278 7.362 1.00 0.00 N ATOM 674 CZ ARG A 733 -2.410 7.196 7.743 1.00 0.00 C ATOM 675 NH1 ARG A 733 -3.569 7.311 7.110 1.00 0.00 N ATOM 676 NH2 ARG A 733 -2.133 8.002 8.761 1.00 0.00 N ATOM 0 H ARG A 733 0.153 2.052 5.361 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.419 3.088 4.631 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.397 4.015 3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -1.067 4.956 3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 733 -0.172 3.911 6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 733 0.343 5.463 5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -2.233 5.883 5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -2.441 4.568 6.570 1.00 0.00 H new ATOM 0 HE ARG A 733 -0.647 6.215 7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 733 -3.786 6.693 6.328 1.00 0.00 H new ATOM 0 HH12 ARG A 733 -4.243 8.017 7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -1.243 7.917 9.251 1.00 0.00 H new ATOM 0 HH22 ARG A 733 -2.810 8.707 9.053 1.00 0.00 H new ATOM 690 N VAL A 734 -2.684 1.948 2.422 1.00 0.00 N ATOM 691 CA VAL A 734 -2.911 1.486 1.058 1.00 0.00 C ATOM 692 C VAL A 734 -3.744 2.490 0.269 1.00 0.00 C ATOM 693 O VAL A 734 -4.690 3.075 0.795 1.00 0.00 O ATOM 694 CB VAL A 734 -3.623 0.119 1.040 1.00 0.00 C ATOM 695 CG1 VAL A 734 -3.889 -0.325 -0.390 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.799 -0.919 1.786 1.00 0.00 C ATOM 0 H VAL A 734 -3.488 1.846 3.041 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.931 1.384 0.591 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.582 0.220 1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.392 -1.292 -0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.522 0.410 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -2.944 -0.412 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -3.316 -1.878 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.824 -1.021 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.666 -0.603 2.821 1.00 0.00 H new ATOM 706 N GLU A 735 -3.385 2.684 -0.996 1.00 0.00 N ATOM 707 CA GLU A 735 -4.099 3.619 -1.857 1.00 0.00 C ATOM 708 C GLU A 735 -5.064 2.880 -2.780 1.00 0.00 C ATOM 709 O GLU A 735 -4.658 2.314 -3.797 1.00 0.00 O ATOM 710 CB GLU A 735 -3.110 4.440 -2.687 1.00 0.00 C ATOM 711 CG GLU A 735 -3.778 5.448 -3.608 1.00 0.00 C ATOM 712 CD GLU A 735 -2.808 6.069 -4.594 1.00 0.00 C ATOM 713 OE1 GLU A 735 -2.585 5.469 -5.666 1.00 0.00 O ATOM 714 OE2 GLU A 735 -2.273 7.157 -4.294 1.00 0.00 O ATOM 0 H GLU A 735 -2.605 2.206 -1.447 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.675 4.292 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.434 4.968 -2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.500 3.763 -3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -4.582 4.957 -4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -4.235 6.235 -3.008 1.00 0.00 H new ATOM 721 N LEU A 736 -6.342 2.888 -2.419 1.00 0.00 N ATOM 722 CA LEU A 736 -7.366 2.218 -3.213 1.00 0.00 C ATOM 723 C LEU A 736 -7.274 2.630 -4.679 1.00 0.00 C ATOM 724 O LEU A 736 -6.686 3.660 -5.009 1.00 0.00 O ATOM 725 CB LEU A 736 -8.757 2.542 -2.666 1.00 0.00 C ATOM 726 CG LEU A 736 -9.128 1.880 -1.339 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.322 2.580 -0.708 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.422 0.401 -1.544 1.00 0.00 C ATOM 0 H LEU A 736 -6.694 3.351 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.198 1.143 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.835 3.622 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.496 2.251 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.280 1.971 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.571 2.095 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.075 3.626 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.176 2.522 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.684 -0.054 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.253 0.288 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.539 -0.093 -1.951 1.00 0.00 H new ATOM 740 N HIS A 737 -7.862 1.820 -5.554 1.00 0.00 N ATOM 741 CA HIS A 737 -7.849 2.102 -6.985 1.00 0.00 C ATOM 742 C HIS A 737 -9.138 2.797 -7.413 1.00 0.00 C ATOM 743 O HIS A 737 -9.121 3.685 -8.266 1.00 0.00 O ATOM 744 CB HIS A 737 -7.666 0.808 -7.779 1.00 0.00 C ATOM 745 CG HIS A 737 -6.250 0.321 -7.812 1.00 0.00 C ATOM 746 ND1 HIS A 737 -5.744 -0.454 -8.834 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.230 0.505 -6.941 1.00 0.00 C ATOM 748 CE1 HIS A 737 -4.475 -0.728 -8.590 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.138 -0.157 -7.447 1.00 0.00 N ATOM 0 H HIS A 737 -8.353 0.964 -5.297 1.00 0.00 H new ATOM 0 HA HIS A 737 -7.012 2.768 -7.192 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.298 0.033 -7.346 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -8.011 0.966 -8.801 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.268 -0.767 -9.651 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -5.268 1.068 -6.020 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -3.824 -1.318 -9.218 1.00 0.00 H new ATOM 757 N SER A 738 -10.252 2.387 -6.816 1.00 0.00 N ATOM 758 CA SER A 738 -11.550 2.968 -7.139 1.00 0.00 C ATOM 759 C SER A 738 -11.652 4.397 -6.615 1.00 0.00 C ATOM 760 O SER A 738 -11.861 5.339 -7.380 1.00 0.00 O ATOM 761 CB SER A 738 -12.675 2.116 -6.550 1.00 0.00 C ATOM 762 OG SER A 738 -13.940 2.717 -6.769 1.00 0.00 O ATOM 0 H SER A 738 -10.282 1.655 -6.106 1.00 0.00 H new ATOM 0 HA SER A 738 -11.650 2.989 -8.224 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.658 1.124 -7.001 1.00 0.00 H new ATOM 0 HB3 SER A 738 -12.513 1.983 -5.480 1.00 0.00 H new ATOM 0 HG SER A 738 -14.642 2.151 -6.384 1.00 0.00 H new ATOM 768 N THR A 739 -11.501 4.552 -5.303 1.00 0.00 N ATOM 769 CA THR A 739 -11.577 5.865 -4.675 1.00 0.00 C ATOM 770 C THR A 739 -10.282 6.644 -4.871 1.00 0.00 C ATOM 771 O THR A 739 -10.271 7.874 -4.810 1.00 0.00 O ATOM 772 CB THR A 739 -11.870 5.749 -3.167 1.00 0.00 C ATOM 773 OG1 THR A 739 -10.863 4.953 -2.532 1.00 0.00 O ATOM 774 CG2 THR A 739 -13.239 5.131 -2.927 1.00 0.00 C ATOM 0 H THR A 739 -11.325 3.784 -4.655 1.00 0.00 H new ATOM 0 HA THR A 739 -12.395 6.400 -5.157 1.00 0.00 H new ATOM 0 HB THR A 739 -11.862 6.752 -2.740 1.00 0.00 H new ATOM 0 HG1 THR A 739 -10.519 5.426 -1.746 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.423 5.059 -1.855 1.00 0.00 H new ATOM 0 HG22 THR A 739 -14.006 5.755 -3.386 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.271 4.135 -3.368 1.00 0.00 H new ATOM 782 N CYS A 740 -9.192 5.921 -5.107 1.00 0.00 N ATOM 783 CA CYS A 740 -7.890 6.546 -5.313 1.00 0.00 C ATOM 784 C CYS A 740 -7.474 7.351 -4.087 1.00 0.00 C ATOM 785 O CYS A 740 -6.925 8.445 -4.209 1.00 0.00 O ATOM 786 CB CYS A 740 -7.925 7.451 -6.545 1.00 0.00 C ATOM 787 SG CYS A 740 -7.585 6.594 -8.101 1.00 0.00 S ATOM 0 H CYS A 740 -9.184 4.902 -5.160 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.156 5.756 -5.473 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -8.906 7.922 -6.609 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -7.195 8.251 -6.416 1.00 0.00 H new ATOM 0 HG CYS A 740 -8.194 5.445 -8.106 1.00 0.00 H new ATOM 793 N GLN A 741 -7.740 6.801 -2.906 1.00 0.00 N ATOM 794 CA GLN A 741 -7.394 7.470 -1.657 1.00 0.00 C ATOM 795 C GLN A 741 -6.540 6.567 -0.774 1.00 0.00 C ATOM 796 O GLN A 741 -6.656 5.342 -0.823 1.00 0.00 O ATOM 797 CB GLN A 741 -8.662 7.884 -0.908 1.00 0.00 C ATOM 798 CG GLN A 741 -9.434 9.002 -1.590 1.00 0.00 C ATOM 799 CD GLN A 741 -10.287 9.797 -0.621 1.00 0.00 C ATOM 800 OE1 GLN A 741 -9.990 10.953 -0.319 1.00 0.00 O ATOM 801 NE2 GLN A 741 -11.354 9.180 -0.127 1.00 0.00 N ATOM 0 H GLN A 741 -8.193 5.895 -2.788 1.00 0.00 H new ATOM 0 HA GLN A 741 -6.816 8.362 -1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -9.312 7.016 -0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -8.392 8.202 0.099 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -8.732 9.673 -2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -10.071 8.578 -2.366 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -11.563 8.221 -0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -11.965 9.665 0.530 1.00 0.00 H new ATOM 810 N THR A 742 -5.679 7.179 0.033 1.00 0.00 N ATOM 811 CA THR A 742 -4.804 6.431 0.926 1.00 0.00 C ATOM 812 C THR A 742 -5.454 6.224 2.289 1.00 0.00 C ATOM 813 O THR A 742 -5.642 7.176 3.048 1.00 0.00 O ATOM 814 CB THR A 742 -3.453 7.146 1.118 1.00 0.00 C ATOM 815 OG1 THR A 742 -2.878 7.457 -0.156 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.490 6.280 1.917 1.00 0.00 C ATOM 0 H THR A 742 -5.569 8.192 0.086 1.00 0.00 H new ATOM 0 HA THR A 742 -4.631 5.462 0.459 1.00 0.00 H new ATOM 0 HB THR A 742 -3.631 8.068 1.671 1.00 0.00 H new ATOM 0 HG1 THR A 742 -2.020 7.913 -0.025 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.543 6.806 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 742 -2.918 6.070 2.897 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.318 5.343 1.387 1.00 0.00 H new ATOM 824 N ILE A 743 -5.796 4.977 2.594 1.00 0.00 N ATOM 825 CA ILE A 743 -6.425 4.647 3.867 1.00 0.00 C ATOM 826 C ILE A 743 -5.573 3.663 4.661 1.00 0.00 C ATOM 827 O ILE A 743 -4.852 2.847 4.088 1.00 0.00 O ATOM 828 CB ILE A 743 -7.828 4.047 3.663 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.739 2.749 2.858 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.737 5.048 2.965 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.829 1.754 3.192 1.00 0.00 C ATOM 0 H ILE A 743 -5.648 4.178 1.977 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.516 5.579 4.426 1.00 0.00 H new ATOM 0 HB ILE A 743 -8.254 3.819 4.640 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.788 2.986 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.769 2.286 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.725 4.608 2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.821 5.949 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.317 5.305 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.703 0.858 2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.767 1.487 4.247 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.803 2.198 2.986 1.00 0.00 H new ATOM 843 N SER A 744 -5.664 3.744 5.985 1.00 0.00 N ATOM 844 CA SER A 744 -4.901 2.861 6.859 1.00 0.00 C ATOM 845 C SER A 744 -5.695 1.600 7.186 1.00 0.00 C ATOM 846 O SER A 744 -6.816 1.672 7.689 1.00 0.00 O ATOM 847 CB SER A 744 -4.524 3.589 8.151 1.00 0.00 C ATOM 848 OG SER A 744 -5.680 4.000 8.860 1.00 0.00 O ATOM 0 H SER A 744 -6.259 4.412 6.475 1.00 0.00 H new ATOM 0 HA SER A 744 -3.991 2.570 6.335 1.00 0.00 H new ATOM 0 HB2 SER A 744 -3.922 2.933 8.780 1.00 0.00 H new ATOM 0 HB3 SER A 744 -3.909 4.458 7.917 1.00 0.00 H new ATOM 0 HG SER A 744 -6.394 3.341 8.732 1.00 0.00 H new ATOM 854 N VAL A 745 -5.105 0.445 6.895 1.00 0.00 N ATOM 855 CA VAL A 745 -5.756 -0.833 7.158 1.00 0.00 C ATOM 856 C VAL A 745 -4.778 -1.832 7.767 1.00 0.00 C ATOM 857 O VAL A 745 -3.603 -1.867 7.403 1.00 0.00 O ATOM 858 CB VAL A 745 -6.353 -1.434 5.872 1.00 0.00 C ATOM 859 CG1 VAL A 745 -7.012 -2.774 6.164 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.346 -0.468 5.244 1.00 0.00 C ATOM 0 H VAL A 745 -4.178 0.368 6.477 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.561 -0.639 7.867 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.544 -1.602 5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.428 -3.183 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.270 -3.465 6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.811 -2.636 6.893 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.758 -0.909 4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -8.153 -0.267 5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.839 0.465 4.997 1.00 0.00 H new ATOM 870 N ASP A 746 -5.272 -2.644 8.695 1.00 0.00 N ATOM 871 CA ASP A 746 -4.443 -3.646 9.354 1.00 0.00 C ATOM 872 C ASP A 746 -3.656 -4.459 8.331 1.00 0.00 C ATOM 873 O ASP A 746 -4.220 -4.968 7.362 1.00 0.00 O ATOM 874 CB ASP A 746 -5.309 -4.576 10.206 1.00 0.00 C ATOM 875 CG ASP A 746 -4.484 -5.453 11.127 1.00 0.00 C ATOM 876 OD1 ASP A 746 -3.362 -5.042 11.491 1.00 0.00 O ATOM 877 OD2 ASP A 746 -4.961 -6.550 11.485 1.00 0.00 O ATOM 0 H ASP A 746 -6.243 -2.628 9.008 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.735 -3.127 10.001 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -6.001 -3.980 10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -5.912 -5.206 9.552 1.00 0.00 H new ATOM 882 N ARG A 747 -2.351 -4.576 8.553 1.00 0.00 N ATOM 883 CA ARG A 747 -1.487 -5.325 7.649 1.00 0.00 C ATOM 884 C ARG A 747 -2.066 -6.707 7.364 1.00 0.00 C ATOM 885 O ARG A 747 -1.846 -7.273 6.293 1.00 0.00 O ATOM 886 CB ARG A 747 -0.085 -5.460 8.245 1.00 0.00 C ATOM 887 CG ARG A 747 0.569 -4.128 8.574 1.00 0.00 C ATOM 888 CD ARG A 747 2.079 -4.263 8.694 1.00 0.00 C ATOM 889 NE ARG A 747 2.487 -4.677 10.034 1.00 0.00 N ATOM 890 CZ ARG A 747 2.531 -5.944 10.429 1.00 0.00 C ATOM 891 NH1 ARG A 747 2.194 -6.916 9.592 1.00 0.00 N ATOM 892 NH2 ARG A 747 2.913 -6.242 11.665 1.00 0.00 N ATOM 0 H ARG A 747 -1.869 -4.162 9.351 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.423 -4.776 6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 747 -0.142 -6.061 9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.548 -6.002 7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.328 -3.402 7.798 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.162 -3.743 9.509 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.437 -4.990 7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.549 -3.310 8.450 1.00 0.00 H new ATOM 0 HE ARG A 747 2.752 -3.954 10.702 1.00 0.00 H new ATOM 0 HH11 ARG A 747 1.900 -6.691 8.642 1.00 0.00 H new ATOM 0 HH12 ARG A 747 2.229 -7.888 9.899 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.173 -5.497 12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 747 2.947 -7.215 11.968 1.00 0.00 H new ATOM 906 N GLN A 748 -2.806 -7.244 8.329 1.00 0.00 N ATOM 907 CA GLN A 748 -3.415 -8.560 8.181 1.00 0.00 C ATOM 908 C GLN A 748 -4.682 -8.482 7.336 1.00 0.00 C ATOM 909 O GLN A 748 -4.901 -9.308 6.450 1.00 0.00 O ATOM 910 CB GLN A 748 -3.738 -9.153 9.554 1.00 0.00 C ATOM 911 CG GLN A 748 -2.560 -9.860 10.204 1.00 0.00 C ATOM 912 CD GLN A 748 -1.423 -8.915 10.537 1.00 0.00 C ATOM 913 OE1 GLN A 748 -0.494 -8.741 9.748 1.00 0.00 O ATOM 914 NE2 GLN A 748 -1.490 -8.298 11.711 1.00 0.00 N ATOM 0 H GLN A 748 -2.998 -6.788 9.221 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.701 -9.208 7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -4.081 -8.356 10.213 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -4.563 -9.858 9.451 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -2.896 -10.354 11.116 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -2.195 -10.640 9.535 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -2.279 -8.472 12.334 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -0.753 -7.650 11.989 1.00 0.00 H new ATOM 923 N ARG A 749 -5.514 -7.485 7.617 1.00 0.00 N ATOM 924 CA ARG A 749 -6.760 -7.300 6.884 1.00 0.00 C ATOM 925 C ARG A 749 -6.500 -7.211 5.383 1.00 0.00 C ATOM 926 O ARG A 749 -7.420 -7.339 4.574 1.00 0.00 O ATOM 927 CB ARG A 749 -7.477 -6.036 7.364 1.00 0.00 C ATOM 928 CG ARG A 749 -8.257 -6.231 8.654 1.00 0.00 C ATOM 929 CD ARG A 749 -9.200 -5.068 8.916 1.00 0.00 C ATOM 930 NE ARG A 749 -8.483 -3.862 9.321 1.00 0.00 N ATOM 931 CZ ARG A 749 -9.051 -2.853 9.973 1.00 0.00 C ATOM 932 NH1 ARG A 749 -10.337 -2.905 10.291 1.00 0.00 N ATOM 933 NH2 ARG A 749 -8.332 -1.789 10.308 1.00 0.00 N ATOM 0 H ARG A 749 -5.348 -6.793 8.347 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.396 -8.165 7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.742 -5.245 7.510 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -8.159 -5.697 6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.828 -7.158 8.599 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.563 -6.333 9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -9.778 -4.861 8.016 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -9.911 -5.346 9.694 1.00 0.00 H new ATOM 0 HE ARG A 749 -7.492 -3.790 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -10.893 -3.721 10.035 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -10.770 -2.129 10.792 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -7.342 -1.745 10.065 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -8.769 -1.015 10.808 1.00 0.00 H new ATOM 947 N LEU A 750 -5.242 -6.990 5.018 1.00 0.00 N ATOM 948 CA LEU A 750 -4.861 -6.883 3.614 1.00 0.00 C ATOM 949 C LEU A 750 -4.416 -8.235 3.067 1.00 0.00 C ATOM 950 O LEU A 750 -3.563 -8.904 3.651 1.00 0.00 O ATOM 951 CB LEU A 750 -3.738 -5.858 3.448 1.00 0.00 C ATOM 952 CG LEU A 750 -4.047 -4.439 3.926 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.762 -3.652 4.132 1.00 0.00 C ATOM 954 CD2 LEU A 750 -4.957 -3.728 2.935 1.00 0.00 C ATOM 0 H LEU A 750 -4.469 -6.881 5.674 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.733 -6.553 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -2.862 -6.219 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.467 -5.813 2.393 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.565 -4.504 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -3.003 -2.645 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -2.146 -4.150 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.215 -3.596 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.166 -2.720 3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.466 -3.675 1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -5.892 -4.280 2.839 1.00 0.00 H new ATOM 966 N THR A 751 -4.997 -8.631 1.939 1.00 0.00 N ATOM 967 CA THR A 751 -4.660 -9.903 1.311 1.00 0.00 C ATOM 968 C THR A 751 -3.936 -9.687 -0.013 1.00 0.00 C ATOM 969 O THR A 751 -4.555 -9.358 -1.025 1.00 0.00 O ATOM 970 CB THR A 751 -5.918 -10.757 1.062 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.595 -11.004 2.300 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.552 -12.079 0.405 1.00 0.00 C ATOM 0 H THR A 751 -5.703 -8.089 1.441 1.00 0.00 H new ATOM 0 HA THR A 751 -4.002 -10.432 2.000 1.00 0.00 H new ATOM 0 HB THR A 751 -6.578 -10.207 0.391 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.298 -11.672 2.161 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.456 -12.665 0.239 1.00 0.00 H new ATOM 0 HG22 THR A 751 -5.063 -11.888 -0.550 1.00 0.00 H new ATOM 0 HG23 THR A 751 -4.875 -12.633 1.055 1.00 0.00 H new ATOM 980 N THR A 752 -2.620 -9.876 0.000 1.00 0.00 N ATOM 981 CA THR A 752 -1.811 -9.702 -1.200 1.00 0.00 C ATOM 982 C THR A 752 -2.481 -10.341 -2.412 1.00 0.00 C ATOM 983 O THR A 752 -2.675 -11.556 -2.458 1.00 0.00 O ATOM 984 CB THR A 752 -0.407 -10.310 -1.024 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.508 -11.621 -0.455 1.00 0.00 O ATOM 986 CG2 THR A 752 0.455 -9.430 -0.132 1.00 0.00 C ATOM 0 H THR A 752 -2.092 -10.150 0.829 1.00 0.00 H new ATOM 0 HA THR A 752 -1.716 -8.629 -1.364 1.00 0.00 H new ATOM 0 HB THR A 752 0.062 -10.376 -2.006 1.00 0.00 H new ATOM 0 HG1 THR A 752 -1.236 -12.111 -0.891 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.442 -9.879 -0.022 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.554 -8.442 -0.582 1.00 0.00 H new ATOM 0 HG23 THR A 752 -0.012 -9.337 0.848 1.00 0.00 H new ATOM 994 N VAL A 753 -2.832 -9.514 -3.392 1.00 0.00 N ATOM 995 CA VAL A 753 -3.478 -9.999 -4.606 1.00 0.00 C ATOM 996 C VAL A 753 -2.560 -10.939 -5.379 1.00 0.00 C ATOM 997 O VAL A 753 -2.982 -12.004 -5.829 1.00 0.00 O ATOM 998 CB VAL A 753 -3.893 -8.834 -5.524 1.00 0.00 C ATOM 999 CG1 VAL A 753 -4.526 -9.361 -6.802 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -4.843 -7.895 -4.796 1.00 0.00 C ATOM 0 H VAL A 753 -2.680 -8.506 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 753 -4.370 -10.542 -4.295 1.00 0.00 H new ATOM 0 HB VAL A 753 -3.000 -8.271 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -4.813 -8.524 -7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.809 -9.989 -7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -5.410 -9.948 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -5.126 -7.078 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.736 -8.443 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -4.349 -7.491 -3.912 1.00 0.00 H new