USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=16 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 -128:sc= 0.291 USER MOD Set 1.2: A 751 THR OG1 : rot 180:sc= 0.272 USER MOD Set 2.1: A 728 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 731 THR OG1 : rot 180:sc= -0.412 USER MOD Single : A 703 ASN : amide:sc= -0.0255 K(o=-0.025,f=-1.7!) USER MOD Single : A 708 GLN : amide:sc= -0.268 K(o=-0.27,f=-0.98) USER MOD Single : A 709 THR OG1 : 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+ 170:sc= 0 (180deg=-0.0307) USER MOD Single : A 720 TYR OH : rot 180:sc= 0 USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 737 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-4.7!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot 140:sc= -0.182 USER MOD Single : A 740 CYS SG : rot 40:sc= 0.251 USER MOD Single : A 741 GLN : amide:sc= -0.0192 K(o=-0.019,f=-1.4!) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 31:sc= 0.592 USER MOD Single : A 748 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 752 THR OG1 : rot 45:sc= 0.00648 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 10.081 -0.901 3.357 1.00 0.00 N ATOM 217 CA ASN A 703 9.260 -0.551 2.203 1.00 0.00 C ATOM 218 C ASN A 703 9.259 -1.677 1.174 1.00 0.00 C ATOM 219 O ASN A 703 9.331 -1.431 -0.029 1.00 0.00 O ATOM 220 CB ASN A 703 9.768 0.741 1.562 1.00 0.00 C ATOM 221 CG ASN A 703 11.282 0.787 1.474 1.00 0.00 C ATOM 222 OD1 ASN A 703 11.927 -0.213 1.159 1.00 0.00 O ATOM 223 ND2 ASN A 703 11.856 1.951 1.755 1.00 0.00 N ATOM 0 HA ASN A 703 8.238 -0.399 2.549 1.00 0.00 H new ATOM 0 HB2 ASN A 703 9.346 0.838 0.562 1.00 0.00 H new ATOM 0 HB3 ASN A 703 9.414 1.594 2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 703 12.871 2.042 1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 703 11.282 2.754 2.012 1.00 0.00 H new ATOM 230 N GLU A 704 9.177 -2.913 1.657 1.00 0.00 N ATOM 231 CA GLU A 704 9.168 -4.077 0.779 1.00 0.00 C ATOM 232 C GLU A 704 7.787 -4.281 0.161 1.00 0.00 C ATOM 233 O GLU A 704 7.611 -4.145 -1.051 1.00 0.00 O ATOM 234 CB GLU A 704 9.583 -5.330 1.551 1.00 0.00 C ATOM 235 CG GLU A 704 9.552 -6.599 0.716 1.00 0.00 C ATOM 236 CD GLU A 704 10.130 -6.398 -0.672 1.00 0.00 C ATOM 237 OE1 GLU A 704 11.369 -6.460 -0.812 1.00 0.00 O ATOM 238 OE2 GLU A 704 9.344 -6.178 -1.617 1.00 0.00 O ATOM 0 H GLU A 704 9.116 -3.134 2.651 1.00 0.00 H new ATOM 0 HA GLU A 704 9.884 -3.900 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 704 10.590 -5.188 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 704 8.922 -5.453 2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 704 10.112 -7.381 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 704 8.523 -6.948 0.630 1.00 0.00 H new ATOM 245 N LEU A 705 6.812 -4.608 1.002 1.00 0.00 N ATOM 246 CA LEU A 705 5.447 -4.832 0.539 1.00 0.00 C ATOM 247 C LEU A 705 4.891 -3.585 -0.140 1.00 0.00 C ATOM 248 O LEU A 705 3.868 -3.642 -0.823 1.00 0.00 O ATOM 249 CB LEU A 705 4.549 -5.230 1.712 1.00 0.00 C ATOM 250 CG LEU A 705 3.045 -5.214 1.442 1.00 0.00 C ATOM 251 CD1 LEU A 705 2.695 -6.171 0.313 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.272 -5.570 2.704 1.00 0.00 C ATOM 0 H LEU A 705 6.941 -4.724 2.007 1.00 0.00 H new ATOM 0 HA LEU A 705 5.465 -5.643 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 705 4.829 -6.233 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 705 4.755 -4.558 2.545 1.00 0.00 H new ATOM 0 HG LEU A 705 2.761 -4.206 1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.620 -6.146 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.220 -5.871 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 705 2.994 -7.183 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.203 -5.554 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.560 -6.567 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.498 -4.845 3.486 1.00 0.00 H new ATOM 264 N ILE A 706 5.572 -2.460 0.050 1.00 0.00 N ATOM 265 CA ILE A 706 5.148 -1.200 -0.547 1.00 0.00 C ATOM 266 C ILE A 706 5.180 -1.275 -2.070 1.00 0.00 C ATOM 267 O ILE A 706 6.245 -1.223 -2.683 1.00 0.00 O ATOM 268 CB ILE A 706 6.036 -0.030 -0.084 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.712 0.342 1.364 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.849 1.171 -0.999 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.337 -0.845 2.223 1.00 0.00 C ATOM 0 H ILE A 706 6.420 -2.396 0.613 1.00 0.00 H new ATOM 0 HA ILE A 706 4.125 -1.023 -0.215 1.00 0.00 H new ATOM 0 HB ILE A 706 7.079 -0.342 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.575 0.841 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 706 4.891 1.059 1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.483 1.990 -0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 706 6.124 0.898 -2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.806 1.487 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 706 5.120 -0.507 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.455 -1.331 1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.165 -1.553 2.246 1.00 0.00 H new ATOM 283 N GLY A 707 4.002 -1.397 -2.676 1.00 0.00 N ATOM 284 CA GLY A 707 3.917 -1.476 -4.123 1.00 0.00 C ATOM 285 C GLY A 707 3.168 -2.707 -4.593 1.00 0.00 C ATOM 286 O GLY A 707 2.754 -2.784 -5.749 1.00 0.00 O ATOM 0 H GLY A 707 3.106 -1.442 -2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.419 -0.584 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.923 -1.484 -4.543 1.00 0.00 H new ATOM 290 N GLN A 708 2.997 -3.672 -3.696 1.00 0.00 N ATOM 291 CA GLN A 708 2.296 -4.907 -4.027 1.00 0.00 C ATOM 292 C GLN A 708 0.787 -4.686 -4.050 1.00 0.00 C ATOM 293 O GLN A 708 0.278 -3.736 -3.454 1.00 0.00 O ATOM 294 CB GLN A 708 2.647 -6.004 -3.021 1.00 0.00 C ATOM 295 CG GLN A 708 4.141 -6.157 -2.784 1.00 0.00 C ATOM 296 CD GLN A 708 4.942 -6.122 -4.071 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.524 -6.672 -5.091 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.101 -5.474 -4.030 1.00 0.00 N ATOM 0 H GLN A 708 3.334 -3.623 -2.735 1.00 0.00 H new ATOM 0 HA GLN A 708 2.615 -5.221 -5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.158 -5.785 -2.072 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.245 -6.953 -3.376 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.484 -5.359 -2.125 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.329 -7.099 -2.269 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.408 -5.033 -3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.684 -5.418 -4.865 1.00 0.00 H new ATOM 307 N THR A 709 0.074 -5.570 -4.742 1.00 0.00 N ATOM 308 CA THR A 709 -1.376 -5.472 -4.844 1.00 0.00 C ATOM 309 C THR A 709 -2.060 -6.252 -3.727 1.00 0.00 C ATOM 310 O THR A 709 -2.032 -7.482 -3.709 1.00 0.00 O ATOM 311 CB THR A 709 -1.880 -5.993 -6.203 1.00 0.00 C ATOM 312 OG1 THR A 709 -1.374 -5.172 -7.261 1.00 0.00 O ATOM 313 CG2 THR A 709 -3.401 -6.005 -6.247 1.00 0.00 C ATOM 0 H THR A 709 0.479 -6.363 -5.240 1.00 0.00 H new ATOM 0 HA THR A 709 -1.629 -4.416 -4.752 1.00 0.00 H new ATOM 0 HB THR A 709 -1.520 -7.014 -6.332 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.698 -5.511 -8.122 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.734 -6.377 -7.216 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.783 -6.654 -5.459 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.777 -4.993 -6.098 1.00 0.00 H new ATOM 321 N VAL A 710 -2.676 -5.528 -2.797 1.00 0.00 N ATOM 322 CA VAL A 710 -3.369 -6.153 -1.677 1.00 0.00 C ATOM 323 C VAL A 710 -4.875 -5.932 -1.771 1.00 0.00 C ATOM 324 O VAL A 710 -5.331 -4.881 -2.221 1.00 0.00 O ATOM 325 CB VAL A 710 -2.863 -5.608 -0.329 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.369 -5.852 -0.180 1.00 0.00 C ATOM 327 CG2 VAL A 710 -3.185 -4.126 -0.200 1.00 0.00 C ATOM 0 H VAL A 710 -2.709 -4.509 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 710 -3.158 -7.221 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.375 -6.140 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -1.030 -5.460 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.169 -6.923 -0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.836 -5.349 -0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.821 -3.757 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.702 -3.577 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.264 -3.982 -0.258 1.00 0.00 H new ATOM 337 N ARG A 711 -5.642 -6.928 -1.341 1.00 0.00 N ATOM 338 CA ARG A 711 -7.097 -6.843 -1.377 1.00 0.00 C ATOM 339 C ARG A 711 -7.679 -6.901 0.032 1.00 0.00 C ATOM 340 O ARG A 711 -7.628 -7.939 0.693 1.00 0.00 O ATOM 341 CB ARG A 711 -7.675 -7.976 -2.226 1.00 0.00 C ATOM 342 CG ARG A 711 -9.194 -8.003 -2.252 1.00 0.00 C ATOM 343 CD ARG A 711 -9.721 -9.399 -2.545 1.00 0.00 C ATOM 344 NE ARG A 711 -11.179 -9.430 -2.619 1.00 0.00 N ATOM 345 CZ ARG A 711 -11.870 -9.025 -3.679 1.00 0.00 C ATOM 346 NH1 ARG A 711 -11.238 -8.563 -4.749 1.00 0.00 N ATOM 347 NH2 ARG A 711 -13.196 -9.084 -3.671 1.00 0.00 N ATOM 0 H ARG A 711 -5.280 -7.804 -0.963 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.369 -5.888 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -7.304 -7.880 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -7.310 -8.929 -1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.582 -7.660 -1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.559 -7.309 -3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -9.303 -9.754 -3.487 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -9.383 -10.084 -1.768 1.00 0.00 H new ATOM 0 HE ARG A 711 -11.695 -9.782 -1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -10.219 -8.518 -4.760 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -11.771 -8.253 -5.562 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -13.686 -9.441 -2.850 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -13.725 -8.773 -4.485 1.00 0.00 H new ATOM 361 N ILE A 712 -8.232 -5.781 0.485 1.00 0.00 N ATOM 362 CA ILE A 712 -8.824 -5.705 1.815 1.00 0.00 C ATOM 363 C ILE A 712 -9.958 -6.713 1.970 1.00 0.00 C ATOM 364 O ILE A 712 -10.991 -6.607 1.309 1.00 0.00 O ATOM 365 CB ILE A 712 -9.363 -4.294 2.112 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.218 -3.279 2.128 1.00 0.00 C ATOM 367 CG2 ILE A 712 -10.109 -4.279 3.438 1.00 0.00 C ATOM 368 CD1 ILE A 712 -8.665 -1.858 1.866 1.00 0.00 C ATOM 0 H ILE A 712 -8.282 -4.914 -0.049 1.00 0.00 H new ATOM 0 HA ILE A 712 -8.032 -5.939 2.526 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.060 -4.015 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -7.719 -3.322 3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.481 -3.563 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.484 -3.274 3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -10.946 -4.976 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.433 -4.576 4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -7.801 -1.194 1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.137 -1.800 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.379 -1.554 2.631 1.00 0.00 H new ATOM 380 N SER A 713 -9.758 -7.690 2.848 1.00 0.00 N ATOM 381 CA SER A 713 -10.763 -8.719 3.089 1.00 0.00 C ATOM 382 C SER A 713 -11.415 -8.533 4.456 1.00 0.00 C ATOM 383 O SER A 713 -12.033 -9.453 4.991 1.00 0.00 O ATOM 384 CB SER A 713 -10.131 -10.110 2.998 1.00 0.00 C ATOM 385 OG SER A 713 -9.379 -10.406 4.162 1.00 0.00 O ATOM 0 H SER A 713 -8.909 -7.791 3.405 1.00 0.00 H new ATOM 0 HA SER A 713 -11.533 -8.626 2.323 1.00 0.00 H new ATOM 0 HB2 SER A 713 -10.911 -10.859 2.865 1.00 0.00 H new ATOM 0 HB3 SER A 713 -9.486 -10.163 2.121 1.00 0.00 H new ATOM 0 HG SER A 713 -8.476 -10.689 3.905 1.00 0.00 H new ATOM 391 N GLN A 714 -11.271 -7.335 5.015 1.00 0.00 N ATOM 392 CA GLN A 714 -11.845 -7.028 6.319 1.00 0.00 C ATOM 393 C GLN A 714 -12.250 -5.560 6.404 1.00 0.00 C ATOM 394 O GLN A 714 -11.519 -4.677 5.956 1.00 0.00 O ATOM 395 CB GLN A 714 -10.846 -7.358 7.430 1.00 0.00 C ATOM 396 CG GLN A 714 -10.876 -8.815 7.862 1.00 0.00 C ATOM 397 CD GLN A 714 -11.902 -9.081 8.946 1.00 0.00 C ATOM 398 OE1 GLN A 714 -11.613 -8.953 10.136 1.00 0.00 O ATOM 399 NE2 GLN A 714 -13.111 -9.453 8.540 1.00 0.00 N ATOM 0 H GLN A 714 -10.762 -6.562 4.585 1.00 0.00 H new ATOM 0 HA GLN A 714 -12.737 -7.640 6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -9.841 -7.109 7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -11.055 -6.727 8.294 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -11.095 -9.442 6.998 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -9.889 -9.104 8.223 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -13.308 -9.547 7.544 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -13.842 -9.645 9.225 1.00 0.00 H new ATOM 408 N GLY A 715 -13.420 -5.306 6.980 1.00 0.00 N ATOM 409 CA GLY A 715 -13.903 -3.944 7.112 1.00 0.00 C ATOM 410 C GLY A 715 -14.922 -3.584 6.050 1.00 0.00 C ATOM 411 O GLY A 715 -15.356 -4.428 5.265 1.00 0.00 O ATOM 0 H GLY A 715 -14.043 -6.020 7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -14.349 -3.814 8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -13.060 -3.256 7.050 1.00 0.00 H new ATOM 415 N PRO A 716 -15.323 -2.305 6.017 1.00 0.00 N ATOM 416 CA PRO A 716 -16.304 -1.806 5.049 1.00 0.00 C ATOM 417 C PRO A 716 -15.750 -1.772 3.628 1.00 0.00 C ATOM 418 O PRO A 716 -16.505 -1.680 2.660 1.00 0.00 O ATOM 419 CB PRO A 716 -16.600 -0.388 5.541 1.00 0.00 C ATOM 420 CG PRO A 716 -15.380 0.014 6.296 1.00 0.00 C ATOM 421 CD PRO A 716 -14.848 -1.245 6.923 1.00 0.00 C ATOM 0 HA PRO A 716 -17.185 -2.445 4.996 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.791 0.288 4.708 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -17.484 -0.367 6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -14.640 0.462 5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -15.619 0.758 7.056 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.760 -1.232 6.990 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -15.228 -1.381 7.935 1.00 0.00 H new ATOM 429 N TYR A 717 -14.429 -1.848 3.511 1.00 0.00 N ATOM 430 CA TYR A 717 -13.775 -1.823 2.208 1.00 0.00 C ATOM 431 C TYR A 717 -13.437 -3.236 1.742 1.00 0.00 C ATOM 432 O TYR A 717 -12.542 -3.434 0.920 1.00 0.00 O ATOM 433 CB TYR A 717 -12.503 -0.976 2.269 1.00 0.00 C ATOM 434 CG TYR A 717 -12.721 0.404 2.846 1.00 0.00 C ATOM 435 CD1 TYR A 717 -12.770 0.605 4.220 1.00 0.00 C ATOM 436 CD2 TYR A 717 -12.880 1.508 2.016 1.00 0.00 C ATOM 437 CE1 TYR A 717 -12.970 1.865 4.751 1.00 0.00 C ATOM 438 CE2 TYR A 717 -13.079 2.771 2.539 1.00 0.00 C ATOM 439 CZ TYR A 717 -13.124 2.944 3.906 1.00 0.00 C ATOM 440 OH TYR A 717 -13.324 4.201 4.431 1.00 0.00 O ATOM 0 H TYR A 717 -13.790 -1.927 4.302 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.465 -1.378 1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.758 -1.498 2.869 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -12.092 -0.880 1.264 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -12.650 -0.238 4.884 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -12.847 1.376 0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -13.006 2.004 5.821 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -13.199 3.619 1.880 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.412 4.850 3.702 1.00 0.00 H new ATOM 450 N LYS A 718 -14.160 -4.216 2.273 1.00 0.00 N ATOM 451 CA LYS A 718 -13.941 -5.612 1.912 1.00 0.00 C ATOM 452 C LYS A 718 -14.118 -5.819 0.411 1.00 0.00 C ATOM 453 O LYS A 718 -15.065 -5.312 -0.188 1.00 0.00 O ATOM 454 CB LYS A 718 -14.907 -6.517 2.680 1.00 0.00 C ATOM 455 CG LYS A 718 -14.987 -7.929 2.127 1.00 0.00 C ATOM 456 CD LYS A 718 -15.570 -8.894 3.146 1.00 0.00 C ATOM 457 CE LYS A 718 -17.089 -8.822 3.176 1.00 0.00 C ATOM 458 NZ LYS A 718 -17.701 -9.516 2.009 1.00 0.00 N ATOM 0 H LYS A 718 -14.904 -4.069 2.956 1.00 0.00 H new ATOM 0 HA LYS A 718 -12.917 -5.874 2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.597 -6.562 3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -15.902 -6.072 2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.601 -7.934 1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -13.991 -8.264 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.257 -9.910 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -15.174 -8.664 4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -17.456 -9.272 4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -17.403 -7.778 3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -18.728 -9.593 2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -17.510 -8.973 1.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -17.292 -10.468 1.918 1.00 0.00 H new ATOM 472 N GLY A 719 -13.201 -6.570 -0.191 1.00 0.00 N ATOM 473 CA GLY A 719 -13.275 -6.833 -1.616 1.00 0.00 C ATOM 474 C GLY A 719 -12.767 -5.671 -2.447 1.00 0.00 C ATOM 475 O GLY A 719 -13.206 -5.470 -3.580 1.00 0.00 O ATOM 0 H GLY A 719 -12.408 -7.001 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.692 -7.724 -1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.308 -7.047 -1.890 1.00 0.00 H new ATOM 479 N TYR A 720 -11.841 -4.903 -1.883 1.00 0.00 N ATOM 480 CA TYR A 720 -11.276 -3.753 -2.578 1.00 0.00 C ATOM 481 C TYR A 720 -9.782 -3.943 -2.820 1.00 0.00 C ATOM 482 O TYR A 720 -9.070 -4.492 -1.979 1.00 0.00 O ATOM 483 CB TYR A 720 -11.515 -2.475 -1.771 1.00 0.00 C ATOM 484 CG TYR A 720 -12.931 -1.955 -1.867 1.00 0.00 C ATOM 485 CD1 TYR A 720 -14.003 -2.712 -1.412 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.197 -0.704 -2.412 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.299 -2.240 -1.499 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.489 -0.224 -2.501 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.536 -0.996 -2.044 1.00 0.00 C ATOM 490 OH TYR A 720 -16.825 -0.522 -2.131 1.00 0.00 O ATOM 0 H TYR A 720 -11.466 -5.056 -0.947 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.774 -3.664 -3.544 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.277 -2.666 -0.725 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.829 -1.702 -2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -13.821 -3.686 -0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.379 -0.097 -2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.121 -2.842 -1.142 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.678 0.751 -2.926 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.819 0.369 -2.538 1.00 0.00 H new ATOM 500 N ILE A 721 -9.313 -3.483 -3.976 1.00 0.00 N ATOM 501 CA ILE A 721 -7.904 -3.600 -4.329 1.00 0.00 C ATOM 502 C ILE A 721 -7.175 -2.277 -4.126 1.00 0.00 C ATOM 503 O ILE A 721 -7.759 -1.205 -4.275 1.00 0.00 O ATOM 504 CB ILE A 721 -7.725 -4.053 -5.790 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.548 -5.315 -6.060 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.255 -4.299 -6.093 1.00 0.00 C ATOM 507 CD1 ILE A 721 -7.957 -6.564 -5.445 1.00 0.00 C ATOM 0 H ILE A 721 -9.889 -3.026 -4.683 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.475 -4.354 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 721 -8.083 -3.260 -6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.557 -5.171 -5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.637 -5.457 -7.137 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -6.146 -4.618 -7.129 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.692 -3.379 -5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.872 -5.076 -5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.592 -7.419 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -6.959 -6.732 -5.851 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -7.893 -6.442 -4.364 1.00 0.00 H new ATOM 519 N GLY A 722 -5.892 -2.360 -3.787 1.00 0.00 N ATOM 520 CA GLY A 722 -5.102 -1.161 -3.571 1.00 0.00 C ATOM 521 C GLY A 722 -3.616 -1.451 -3.499 1.00 0.00 C ATOM 522 O GLY A 722 -3.209 -2.589 -3.266 1.00 0.00 O ATOM 0 H GLY A 722 -5.385 -3.236 -3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.292 -0.454 -4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.421 -0.681 -2.646 1.00 0.00 H new ATOM 526 N VAL A 723 -2.803 -0.419 -3.702 1.00 0.00 N ATOM 527 CA VAL A 723 -1.353 -0.568 -3.659 1.00 0.00 C ATOM 528 C VAL A 723 -0.788 -0.069 -2.335 1.00 0.00 C ATOM 529 O VAL A 723 -0.994 1.083 -1.954 1.00 0.00 O ATOM 530 CB VAL A 723 -0.677 0.195 -4.814 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.829 0.250 -4.607 1.00 0.00 C ATOM 532 CG2 VAL A 723 -1.017 -0.449 -6.149 1.00 0.00 C ATOM 0 H VAL A 723 -3.124 0.529 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.141 -1.632 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.056 1.217 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.290 0.793 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 723 1.049 0.760 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.229 -0.763 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.531 0.103 -6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.667 -1.481 -6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -2.097 -0.431 -6.297 1.00 0.00 H new ATOM 542 N VAL A 724 -0.073 -0.945 -1.635 1.00 0.00 N ATOM 543 CA VAL A 724 0.525 -0.593 -0.353 1.00 0.00 C ATOM 544 C VAL A 724 1.511 0.560 -0.503 1.00 0.00 C ATOM 545 O VAL A 724 2.618 0.383 -1.012 1.00 0.00 O ATOM 546 CB VAL A 724 1.251 -1.797 0.277 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.831 -1.421 1.632 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.307 -2.983 0.401 1.00 0.00 C ATOM 0 H VAL A 724 0.106 -1.903 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.290 -0.286 0.302 1.00 0.00 H new ATOM 0 HB VAL A 724 2.075 -2.085 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.340 -2.284 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.542 -0.604 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 724 1.027 -1.105 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 724 0.837 -3.824 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.539 -2.710 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 724 -0.054 -3.266 -0.588 1.00 0.00 H new ATOM 558 N LYS A 725 1.102 1.743 -0.057 1.00 0.00 N ATOM 559 CA LYS A 725 1.949 2.927 -0.140 1.00 0.00 C ATOM 560 C LYS A 725 2.918 2.986 1.037 1.00 0.00 C ATOM 561 O LYS A 725 4.069 3.394 0.885 1.00 0.00 O ATOM 562 CB LYS A 725 1.089 4.193 -0.171 1.00 0.00 C ATOM 563 CG LYS A 725 0.111 4.235 -1.331 1.00 0.00 C ATOM 564 CD LYS A 725 0.729 4.885 -2.558 1.00 0.00 C ATOM 565 CE LYS A 725 1.535 3.885 -3.372 1.00 0.00 C ATOM 566 NZ LYS A 725 1.738 4.345 -4.774 1.00 0.00 N ATOM 0 H LYS A 725 0.188 1.907 0.366 1.00 0.00 H new ATOM 0 HA LYS A 725 2.528 2.866 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.534 4.268 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 725 1.742 5.064 -0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.208 3.222 -1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -0.781 4.787 -1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 725 -0.058 5.312 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 725 1.373 5.708 -2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 725 2.504 3.728 -2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 725 1.022 2.923 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 2.292 3.636 -5.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 0.814 4.471 -5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 2.250 5.250 -4.772 1.00 0.00 H new ATOM 580 N ASP A 726 2.444 2.575 2.208 1.00 0.00 N ATOM 581 CA ASP A 726 3.270 2.579 3.410 1.00 0.00 C ATOM 582 C ASP A 726 2.962 1.368 4.285 1.00 0.00 C ATOM 583 O ASP A 726 1.834 0.876 4.306 1.00 0.00 O ATOM 584 CB ASP A 726 3.046 3.867 4.204 1.00 0.00 C ATOM 585 CG ASP A 726 4.242 4.234 5.060 1.00 0.00 C ATOM 586 OD1 ASP A 726 4.432 3.599 6.119 1.00 0.00 O ATOM 587 OD2 ASP A 726 4.989 5.156 4.672 1.00 0.00 O ATOM 0 H ASP A 726 1.493 2.235 2.351 1.00 0.00 H new ATOM 0 HA ASP A 726 4.315 2.527 3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.832 4.683 3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.169 3.750 4.841 1.00 0.00 H new ATOM 592 N ALA A 727 3.973 0.891 5.004 1.00 0.00 N ATOM 593 CA ALA A 727 3.810 -0.261 5.881 1.00 0.00 C ATOM 594 C ALA A 727 4.016 0.126 7.342 1.00 0.00 C ATOM 595 O ALA A 727 5.107 0.541 7.737 1.00 0.00 O ATOM 596 CB ALA A 727 4.777 -1.367 5.485 1.00 0.00 C ATOM 0 H ALA A 727 4.914 1.285 4.996 1.00 0.00 H new ATOM 0 HA ALA A 727 2.790 -0.628 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.644 -2.221 6.149 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.580 -1.672 4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.801 -1.001 5.565 1.00 0.00 H new ATOM 602 N THR A 728 2.963 -0.011 8.140 1.00 0.00 N ATOM 603 CA THR A 728 3.028 0.327 9.557 1.00 0.00 C ATOM 604 C THR A 728 3.193 -0.924 10.413 1.00 0.00 C ATOM 605 O THR A 728 3.040 -2.044 9.927 1.00 0.00 O ATOM 606 CB THR A 728 1.766 1.084 10.013 1.00 0.00 C ATOM 607 OG1 THR A 728 1.228 1.841 8.922 1.00 0.00 O ATOM 608 CG2 THR A 728 2.083 2.013 11.174 1.00 0.00 C ATOM 0 H THR A 728 2.054 -0.354 7.830 1.00 0.00 H new ATOM 0 HA THR A 728 3.897 0.972 9.689 1.00 0.00 H new ATOM 0 HB THR A 728 1.030 0.352 10.345 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.425 2.318 9.219 1.00 0.00 H new ATOM 0 HG21 THR A 728 1.177 2.537 11.479 1.00 0.00 H new ATOM 0 HG22 THR A 728 2.465 1.430 12.012 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.835 2.739 10.864 1.00 0.00 H new ATOM 616 N GLU A 729 3.506 -0.724 11.689 1.00 0.00 N ATOM 617 CA GLU A 729 3.692 -1.837 12.613 1.00 0.00 C ATOM 618 C GLU A 729 2.389 -2.607 12.806 1.00 0.00 C ATOM 619 O GLU A 729 2.372 -3.838 12.773 1.00 0.00 O ATOM 620 CB GLU A 729 4.203 -1.330 13.963 1.00 0.00 C ATOM 621 CG GLU A 729 3.283 -0.313 14.618 1.00 0.00 C ATOM 622 CD GLU A 729 3.893 0.311 15.858 1.00 0.00 C ATOM 623 OE1 GLU A 729 5.126 0.513 15.875 1.00 0.00 O ATOM 624 OE2 GLU A 729 3.139 0.598 16.811 1.00 0.00 O ATOM 0 H GLU A 729 3.636 0.197 12.107 1.00 0.00 H new ATOM 0 HA GLU A 729 4.433 -2.512 12.184 1.00 0.00 H new ATOM 0 HB2 GLU A 729 4.331 -2.178 14.636 1.00 0.00 H new ATOM 0 HB3 GLU A 729 5.187 -0.882 13.825 1.00 0.00 H new ATOM 0 HG2 GLU A 729 3.045 0.472 13.900 1.00 0.00 H new ATOM 0 HG3 GLU A 729 2.343 -0.797 14.884 1.00 0.00 H new ATOM 631 N SER A 730 1.300 -1.873 13.010 1.00 0.00 N ATOM 632 CA SER A 730 -0.008 -2.486 13.214 1.00 0.00 C ATOM 633 C SER A 730 -1.012 -1.978 12.184 1.00 0.00 C ATOM 634 O SER A 730 -2.224 -2.079 12.379 1.00 0.00 O ATOM 635 CB SER A 730 -0.516 -2.194 14.627 1.00 0.00 C ATOM 636 OG SER A 730 0.292 -2.831 15.602 1.00 0.00 O ATOM 0 H SER A 730 1.297 -0.853 13.038 1.00 0.00 H new ATOM 0 HA SER A 730 0.099 -3.564 13.090 1.00 0.00 H new ATOM 0 HB2 SER A 730 -0.520 -1.118 14.800 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.546 -2.536 14.724 1.00 0.00 H new ATOM 0 HG SER A 730 -0.053 -2.627 16.496 1.00 0.00 H new ATOM 642 N THR A 731 -0.499 -1.430 11.087 1.00 0.00 N ATOM 643 CA THR A 731 -1.350 -0.904 10.026 1.00 0.00 C ATOM 644 C THR A 731 -0.585 -0.794 8.712 1.00 0.00 C ATOM 645 O THR A 731 0.626 -1.009 8.668 1.00 0.00 O ATOM 646 CB THR A 731 -1.917 0.479 10.395 1.00 0.00 C ATOM 647 OG1 THR A 731 -0.998 1.176 11.243 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.260 0.344 11.097 1.00 0.00 C ATOM 0 H THR A 731 0.501 -1.339 10.910 1.00 0.00 H new ATOM 0 HA THR A 731 -2.175 -1.606 9.905 1.00 0.00 H new ATOM 0 HB THR A 731 -2.061 1.045 9.474 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.366 2.055 11.471 1.00 0.00 H new ATOM 0 HG21 THR A 731 -3.641 1.334 11.348 1.00 0.00 H new ATOM 0 HG22 THR A 731 -3.966 -0.160 10.437 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.137 -0.239 12.010 1.00 0.00 H new ATOM 656 N ALA A 732 -1.299 -0.456 7.644 1.00 0.00 N ATOM 657 CA ALA A 732 -0.686 -0.313 6.329 1.00 0.00 C ATOM 658 C ALA A 732 -1.449 0.692 5.473 1.00 0.00 C ATOM 659 O ALA A 732 -2.641 0.522 5.215 1.00 0.00 O ATOM 660 CB ALA A 732 -0.619 -1.663 5.629 1.00 0.00 C ATOM 0 H ALA A 732 -2.303 -0.276 7.663 1.00 0.00 H new ATOM 0 HA ALA A 732 0.328 0.064 6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 732 -0.159 -1.542 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 732 -0.023 -2.353 6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.626 -2.062 5.511 1.00 0.00 H new ATOM 666 N ARG A 733 -0.755 1.738 5.037 1.00 0.00 N ATOM 667 CA ARG A 733 -1.369 2.771 4.212 1.00 0.00 C ATOM 668 C ARG A 733 -1.469 2.318 2.758 1.00 0.00 C ATOM 669 O ARG A 733 -0.508 2.424 1.996 1.00 0.00 O ATOM 670 CB ARG A 733 -0.563 4.069 4.298 1.00 0.00 C ATOM 671 CG ARG A 733 -0.352 4.560 5.721 1.00 0.00 C ATOM 672 CD ARG A 733 -1.582 5.280 6.250 1.00 0.00 C ATOM 673 NE ARG A 733 -1.241 6.275 7.263 1.00 0.00 N ATOM 674 CZ ARG A 733 -2.032 7.290 7.592 1.00 0.00 C ATOM 675 NH1 ARG A 733 -3.204 7.444 6.991 1.00 0.00 N ATOM 676 NH2 ARG A 733 -1.651 8.155 8.524 1.00 0.00 N ATOM 0 H ARG A 733 0.232 1.892 5.241 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.376 2.950 4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.408 3.916 3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -1.075 4.844 3.727 1.00 0.00 H new ATOM 0 HG2 ARG A 733 -0.118 3.714 6.368 1.00 0.00 H new ATOM 0 HG3 ARG A 733 0.506 5.232 5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -2.100 5.767 5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -2.273 4.552 6.675 1.00 0.00 H new ATOM 0 HE ARG A 733 -0.346 6.186 7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 733 -3.500 6.782 6.274 1.00 0.00 H new ATOM 0 HH12 ARG A 733 -3.809 8.224 7.246 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -0.750 8.041 8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 733 -2.259 8.934 8.776 1.00 0.00 H new ATOM 690 N VAL A 734 -2.639 1.812 2.380 1.00 0.00 N ATOM 691 CA VAL A 734 -2.865 1.343 1.018 1.00 0.00 C ATOM 692 C VAL A 734 -3.644 2.371 0.205 1.00 0.00 C ATOM 693 O VAL A 734 -4.478 3.098 0.743 1.00 0.00 O ATOM 694 CB VAL A 734 -3.630 0.006 1.004 1.00 0.00 C ATOM 695 CG1 VAL A 734 -3.863 -0.461 -0.424 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.876 -1.047 1.803 1.00 0.00 C ATOM 0 H VAL A 734 -3.445 1.716 2.998 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.884 1.196 0.567 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.602 0.158 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.405 -1.407 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.448 0.286 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -2.904 -0.598 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -3.430 -1.985 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.890 -1.199 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.767 -0.712 2.835 1.00 0.00 H new ATOM 706 N GLU A 735 -3.366 2.424 -1.094 1.00 0.00 N ATOM 707 CA GLU A 735 -4.042 3.363 -1.981 1.00 0.00 C ATOM 708 C GLU A 735 -5.037 2.640 -2.884 1.00 0.00 C ATOM 709 O GLU A 735 -4.656 2.034 -3.886 1.00 0.00 O ATOM 710 CB GLU A 735 -3.020 4.120 -2.832 1.00 0.00 C ATOM 711 CG GLU A 735 -3.650 5.006 -3.894 1.00 0.00 C ATOM 712 CD GLU A 735 -2.736 5.233 -5.082 1.00 0.00 C ATOM 713 OE1 GLU A 735 -1.873 6.133 -5.003 1.00 0.00 O ATOM 714 OE2 GLU A 735 -2.882 4.511 -6.090 1.00 0.00 O ATOM 0 H GLU A 735 -2.678 1.828 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.590 4.075 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.400 4.734 -2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.359 3.401 -3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -4.579 4.551 -4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -3.910 5.968 -3.452 1.00 0.00 H new ATOM 721 N LEU A 736 -6.313 2.707 -2.521 1.00 0.00 N ATOM 722 CA LEU A 736 -7.364 2.058 -3.297 1.00 0.00 C ATOM 723 C LEU A 736 -7.262 2.433 -4.772 1.00 0.00 C ATOM 724 O LEU A 736 -6.656 3.445 -5.126 1.00 0.00 O ATOM 725 CB LEU A 736 -8.740 2.447 -2.754 1.00 0.00 C ATOM 726 CG LEU A 736 -9.110 1.869 -1.387 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.315 2.596 -0.809 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.387 0.377 -1.497 1.00 0.00 C ATOM 0 H LEU A 736 -6.645 3.204 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.236 0.979 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.790 3.534 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.495 2.134 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.266 2.013 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.564 2.172 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.081 3.654 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.165 2.484 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.649 -0.018 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.214 0.210 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.497 -0.132 -1.867 1.00 0.00 H new ATOM 740 N HIS A 737 -7.861 1.612 -5.629 1.00 0.00 N ATOM 741 CA HIS A 737 -7.840 1.859 -7.066 1.00 0.00 C ATOM 742 C HIS A 737 -9.103 2.591 -7.510 1.00 0.00 C ATOM 743 O HIS A 737 -9.078 3.372 -8.461 1.00 0.00 O ATOM 744 CB HIS A 737 -7.705 0.541 -7.830 1.00 0.00 C ATOM 745 CG HIS A 737 -6.318 -0.022 -7.812 1.00 0.00 C ATOM 746 ND1 HIS A 737 -5.877 -0.966 -8.715 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.269 0.233 -6.995 1.00 0.00 C ATOM 748 CE1 HIS A 737 -4.618 -1.269 -8.453 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.226 -0.555 -7.413 1.00 0.00 N ATOM 0 H HIS A 737 -8.367 0.770 -5.353 1.00 0.00 H new ATOM 0 HA HIS A 737 -6.979 2.489 -7.289 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.391 -0.190 -7.401 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -8.012 0.697 -8.864 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.436 -1.368 -9.468 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -5.255 0.927 -6.168 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -4.013 -1.979 -8.996 1.00 0.00 H new ATOM 757 N SER A 738 -10.206 2.332 -6.815 1.00 0.00 N ATOM 758 CA SER A 738 -11.480 2.962 -7.140 1.00 0.00 C ATOM 759 C SER A 738 -11.509 4.410 -6.659 1.00 0.00 C ATOM 760 O SER A 738 -11.627 5.341 -7.456 1.00 0.00 O ATOM 761 CB SER A 738 -12.636 2.181 -6.512 1.00 0.00 C ATOM 762 OG SER A 738 -13.853 2.437 -7.190 1.00 0.00 O ATOM 0 H SER A 738 -10.243 1.690 -6.023 1.00 0.00 H new ATOM 0 HA SER A 738 -11.593 2.955 -8.224 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.417 1.114 -6.543 1.00 0.00 H new ATOM 0 HB3 SER A 738 -12.736 2.456 -5.462 1.00 0.00 H new ATOM 0 HG SER A 738 -14.575 1.925 -6.770 1.00 0.00 H new ATOM 768 N THR A 739 -11.401 4.592 -5.346 1.00 0.00 N ATOM 769 CA THR A 739 -11.415 5.925 -4.756 1.00 0.00 C ATOM 770 C THR A 739 -10.084 6.636 -4.971 1.00 0.00 C ATOM 771 O THR A 739 -9.991 7.856 -4.826 1.00 0.00 O ATOM 772 CB THR A 739 -11.715 5.867 -3.246 1.00 0.00 C ATOM 773 OG1 THR A 739 -10.699 5.115 -2.573 1.00 0.00 O ATOM 774 CG2 THR A 739 -13.075 5.236 -2.988 1.00 0.00 C ATOM 0 H THR A 739 -11.303 3.833 -4.672 1.00 0.00 H new ATOM 0 HA THR A 739 -12.207 6.484 -5.256 1.00 0.00 H new ATOM 0 HB THR A 739 -11.727 6.887 -2.861 1.00 0.00 H new ATOM 0 HG1 THR A 739 -10.481 5.548 -1.722 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.265 5.206 -1.915 1.00 0.00 H new ATOM 0 HG22 THR A 739 -13.849 5.827 -3.477 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.087 4.222 -3.387 1.00 0.00 H new ATOM 782 N CYS A 740 -9.058 5.868 -5.318 1.00 0.00 N ATOM 783 CA CYS A 740 -7.731 6.425 -5.554 1.00 0.00 C ATOM 784 C CYS A 740 -7.260 7.236 -4.351 1.00 0.00 C ATOM 785 O CYS A 740 -6.689 8.316 -4.504 1.00 0.00 O ATOM 786 CB CYS A 740 -7.739 7.304 -6.805 1.00 0.00 C ATOM 787 SG CYS A 740 -7.482 6.396 -8.347 1.00 0.00 S ATOM 0 H CYS A 740 -9.119 4.857 -5.442 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.038 5.597 -5.705 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -8.692 7.830 -6.860 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -6.962 8.062 -6.708 1.00 0.00 H new ATOM 0 HG CYS A 740 -8.139 5.275 -8.305 1.00 0.00 H new ATOM 793 N GLN A 741 -7.506 6.709 -3.156 1.00 0.00 N ATOM 794 CA GLN A 741 -7.110 7.386 -1.927 1.00 0.00 C ATOM 795 C GLN A 741 -6.320 6.449 -1.019 1.00 0.00 C ATOM 796 O GLN A 741 -6.437 5.227 -1.118 1.00 0.00 O ATOM 797 CB GLN A 741 -8.342 7.911 -1.188 1.00 0.00 C ATOM 798 CG GLN A 741 -9.047 9.047 -1.912 1.00 0.00 C ATOM 799 CD GLN A 741 -8.298 10.361 -1.805 1.00 0.00 C ATOM 800 OE1 GLN A 741 -7.411 10.517 -0.965 1.00 0.00 O ATOM 801 NE2 GLN A 741 -8.652 11.316 -2.658 1.00 0.00 N ATOM 0 H GLN A 741 -7.977 5.816 -3.013 1.00 0.00 H new ATOM 0 HA GLN A 741 -6.471 8.227 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -9.046 7.091 -1.043 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -8.043 8.253 -0.197 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -9.165 8.785 -2.963 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -10.049 9.169 -1.500 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -9.393 11.144 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -8.183 12.222 -2.633 1.00 0.00 H new ATOM 810 N THR A 742 -5.514 7.029 -0.135 1.00 0.00 N ATOM 811 CA THR A 742 -4.704 6.245 0.789 1.00 0.00 C ATOM 812 C THR A 742 -5.398 6.095 2.138 1.00 0.00 C ATOM 813 O THR A 742 -5.692 7.085 2.808 1.00 0.00 O ATOM 814 CB THR A 742 -3.320 6.887 1.005 1.00 0.00 C ATOM 815 OG1 THR A 742 -2.700 7.151 -0.258 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.426 5.978 1.835 1.00 0.00 C ATOM 0 H THR A 742 -5.405 8.039 -0.040 1.00 0.00 H new ATOM 0 HA THR A 742 -4.574 5.261 0.339 1.00 0.00 H new ATOM 0 HB THR A 742 -3.458 7.824 1.544 1.00 0.00 H new ATOM 0 HG1 THR A 742 -1.822 7.561 -0.112 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.454 6.452 1.974 1.00 0.00 H new ATOM 0 HG22 THR A 742 -2.887 5.803 2.807 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.295 5.027 1.319 1.00 0.00 H new ATOM 824 N ILE A 743 -5.655 4.852 2.531 1.00 0.00 N ATOM 825 CA ILE A 743 -6.313 4.574 3.801 1.00 0.00 C ATOM 826 C ILE A 743 -5.492 3.605 4.645 1.00 0.00 C ATOM 827 O ILE A 743 -4.839 2.705 4.116 1.00 0.00 O ATOM 828 CB ILE A 743 -7.721 3.987 3.589 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.637 2.669 2.818 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.605 4.983 2.852 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.774 1.718 3.121 1.00 0.00 C ATOM 0 H ILE A 743 -5.418 4.022 1.988 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.400 5.525 4.326 1.00 0.00 H new ATOM 0 HB ILE A 743 -8.166 3.788 4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.628 2.883 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.692 2.179 3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.597 4.554 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.687 5.899 3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.165 5.211 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.649 0.805 2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.771 1.475 4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.722 2.189 2.859 1.00 0.00 H new ATOM 843 N SER A 744 -5.532 3.793 5.960 1.00 0.00 N ATOM 844 CA SER A 744 -4.790 2.937 6.877 1.00 0.00 C ATOM 845 C SER A 744 -5.603 1.699 7.243 1.00 0.00 C ATOM 846 O SER A 744 -6.712 1.804 7.769 1.00 0.00 O ATOM 847 CB SER A 744 -4.419 3.710 8.144 1.00 0.00 C ATOM 848 OG SER A 744 -5.574 4.046 8.893 1.00 0.00 O ATOM 0 H SER A 744 -6.071 4.531 6.414 1.00 0.00 H new ATOM 0 HA SER A 744 -3.877 2.616 6.376 1.00 0.00 H new ATOM 0 HB2 SER A 744 -3.747 3.109 8.756 1.00 0.00 H new ATOM 0 HB3 SER A 744 -3.879 4.618 7.875 1.00 0.00 H new ATOM 0 HG SER A 744 -6.262 3.361 8.759 1.00 0.00 H new ATOM 854 N VAL A 745 -5.045 0.526 6.961 1.00 0.00 N ATOM 855 CA VAL A 745 -5.717 -0.732 7.261 1.00 0.00 C ATOM 856 C VAL A 745 -4.762 -1.722 7.919 1.00 0.00 C ATOM 857 O VAL A 745 -3.565 -1.730 7.633 1.00 0.00 O ATOM 858 CB VAL A 745 -6.304 -1.372 5.989 1.00 0.00 C ATOM 859 CG1 VAL A 745 -7.025 -2.668 6.326 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.240 -0.399 5.288 1.00 0.00 C ATOM 0 H VAL A 745 -4.129 0.421 6.525 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.529 -0.500 7.951 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.484 -1.607 5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.433 -3.105 5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.323 -3.367 6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.836 -2.462 7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.646 -0.867 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -8.056 -0.132 5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.689 0.500 5.011 1.00 0.00 H new ATOM 870 N ASP A 746 -5.300 -2.556 8.803 1.00 0.00 N ATOM 871 CA ASP A 746 -4.496 -3.551 9.502 1.00 0.00 C ATOM 872 C ASP A 746 -3.751 -4.441 8.512 1.00 0.00 C ATOM 873 O ASP A 746 -4.346 -4.988 7.584 1.00 0.00 O ATOM 874 CB ASP A 746 -5.381 -4.407 10.409 1.00 0.00 C ATOM 875 CG ASP A 746 -5.517 -3.825 11.802 1.00 0.00 C ATOM 876 OD1 ASP A 746 -4.478 -3.500 12.413 1.00 0.00 O ATOM 877 OD2 ASP A 746 -6.663 -3.696 12.282 1.00 0.00 O ATOM 0 H ASP A 746 -6.289 -2.562 9.052 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.763 -3.025 10.113 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -6.370 -4.504 9.961 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -4.963 -5.411 10.477 1.00 0.00 H new ATOM 882 N ARG A 747 -2.445 -4.579 8.715 1.00 0.00 N ATOM 883 CA ARG A 747 -1.618 -5.400 7.839 1.00 0.00 C ATOM 884 C ARG A 747 -2.250 -6.772 7.622 1.00 0.00 C ATOM 885 O ARG A 747 -2.101 -7.373 6.559 1.00 0.00 O ATOM 886 CB ARG A 747 -0.215 -5.560 8.429 1.00 0.00 C ATOM 887 CG ARG A 747 0.534 -4.247 8.584 1.00 0.00 C ATOM 888 CD ARG A 747 2.039 -4.464 8.613 1.00 0.00 C ATOM 889 NE ARG A 747 2.500 -4.922 9.921 1.00 0.00 N ATOM 890 CZ ARG A 747 3.710 -5.427 10.138 1.00 0.00 C ATOM 891 NH1 ARG A 747 4.575 -5.537 9.139 1.00 0.00 N ATOM 892 NH2 ARG A 747 4.057 -5.821 11.356 1.00 0.00 N ATOM 0 H ARG A 747 -1.937 -4.133 9.479 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.544 -4.897 6.875 1.00 0.00 H new ATOM 0 HB2 ARG A 747 -0.293 -6.041 9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.365 -6.226 7.790 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.277 -3.581 7.760 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.219 -3.753 9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.314 -5.197 7.854 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.545 -3.533 8.356 1.00 0.00 H new ATOM 0 HE ARG A 747 1.858 -4.850 10.711 1.00 0.00 H new ATOM 0 HH11 ARG A 747 4.312 -5.234 8.201 1.00 0.00 H new ATOM 0 HH12 ARG A 747 5.503 -5.925 9.308 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.395 -5.737 12.127 1.00 0.00 H new ATOM 0 HH22 ARG A 747 4.986 -6.208 11.521 1.00 0.00 H new ATOM 906 N GLN A 748 -2.955 -7.260 8.638 1.00 0.00 N ATOM 907 CA GLN A 748 -3.608 -8.561 8.559 1.00 0.00 C ATOM 908 C GLN A 748 -4.893 -8.476 7.742 1.00 0.00 C ATOM 909 O GLN A 748 -5.192 -9.364 6.943 1.00 0.00 O ATOM 910 CB GLN A 748 -3.916 -9.087 9.962 1.00 0.00 C ATOM 911 CG GLN A 748 -2.738 -9.785 10.622 1.00 0.00 C ATOM 912 CD GLN A 748 -2.626 -11.243 10.224 1.00 0.00 C ATOM 913 OE1 GLN A 748 -3.479 -12.061 10.570 1.00 0.00 O ATOM 914 NE2 GLN A 748 -1.569 -11.578 9.491 1.00 0.00 N ATOM 0 H GLN A 748 -3.088 -6.774 9.525 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.927 -9.251 8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -4.234 -8.256 10.591 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -4.754 -9.782 9.905 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -1.817 -9.267 10.354 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -2.839 -9.715 11.705 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -0.886 -10.868 9.226 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -1.441 -12.545 9.193 1.00 0.00 H new ATOM 923 N ARG A 749 -5.649 -7.402 7.947 1.00 0.00 N ATOM 924 CA ARG A 749 -6.903 -7.202 7.230 1.00 0.00 C ATOM 925 C ARG A 749 -6.663 -7.127 5.725 1.00 0.00 C ATOM 926 O ARG A 749 -7.606 -7.136 4.934 1.00 0.00 O ATOM 927 CB ARG A 749 -7.592 -5.924 7.712 1.00 0.00 C ATOM 928 CG ARG A 749 -8.360 -6.099 9.012 1.00 0.00 C ATOM 929 CD ARG A 749 -9.350 -4.966 9.232 1.00 0.00 C ATOM 930 NE ARG A 749 -8.695 -3.661 9.236 1.00 0.00 N ATOM 931 CZ ARG A 749 -9.311 -2.530 9.563 1.00 0.00 C ATOM 932 NH1 ARG A 749 -10.590 -2.546 9.912 1.00 0.00 N ATOM 933 NH2 ARG A 749 -8.648 -1.382 9.543 1.00 0.00 N ATOM 0 H ARG A 749 -5.415 -6.657 8.604 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.550 -8.055 7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.841 -5.145 7.845 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -8.278 -5.577 6.939 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.892 -7.050 8.996 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.660 -6.139 9.847 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -10.108 -4.989 8.449 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -9.867 -5.115 10.180 1.00 0.00 H new ATOM 0 HE ARG A 749 -7.710 -3.615 8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -11.103 -3.428 9.930 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -11.061 -1.677 10.163 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -7.664 -1.366 9.276 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -9.122 -0.515 9.794 1.00 0.00 H new ATOM 947 N LEU A 750 -5.394 -7.053 5.337 1.00 0.00 N ATOM 948 CA LEU A 750 -5.029 -6.975 3.927 1.00 0.00 C ATOM 949 C LEU A 750 -4.554 -8.330 3.412 1.00 0.00 C ATOM 950 O LEU A 750 -3.601 -8.907 3.936 1.00 0.00 O ATOM 951 CB LEU A 750 -3.936 -5.926 3.719 1.00 0.00 C ATOM 952 CG LEU A 750 -4.202 -4.550 4.330 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.904 -3.770 4.474 1.00 0.00 C ATOM 954 CD2 LEU A 750 -5.200 -3.775 3.483 1.00 0.00 C ATOM 0 H LEU A 750 -4.601 -7.045 5.979 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.915 -6.683 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -3.006 -6.312 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.779 -5.802 2.648 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.630 -4.691 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -3.113 -2.793 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -2.220 -4.318 5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.448 -3.639 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.378 -2.798 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.800 -3.644 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -6.139 -4.327 3.431 1.00 0.00 H new ATOM 966 N THR A 751 -5.224 -8.834 2.380 1.00 0.00 N ATOM 967 CA THR A 751 -4.871 -10.120 1.793 1.00 0.00 C ATOM 968 C THR A 751 -4.020 -9.938 0.541 1.00 0.00 C ATOM 969 O THR A 751 -4.536 -9.628 -0.533 1.00 0.00 O ATOM 970 CB THR A 751 -6.126 -10.938 1.433 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.896 -11.197 2.612 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.743 -12.253 0.771 1.00 0.00 C ATOM 0 H THR A 751 -6.015 -8.370 1.933 1.00 0.00 H new ATOM 0 HA THR A 751 -4.297 -10.663 2.544 1.00 0.00 H new ATOM 0 HB THR A 751 -6.723 -10.357 0.730 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.693 -11.716 2.375 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.645 -12.813 0.526 1.00 0.00 H new ATOM 0 HG22 THR A 751 -5.182 -12.051 -0.142 1.00 0.00 H new ATOM 0 HG23 THR A 751 -5.127 -12.838 1.454 1.00 0.00 H new ATOM 980 N THR A 752 -2.713 -10.133 0.686 1.00 0.00 N ATOM 981 CA THR A 752 -1.791 -9.990 -0.434 1.00 0.00 C ATOM 982 C THR A 752 -2.336 -10.668 -1.685 1.00 0.00 C ATOM 983 O THR A 752 -2.547 -11.881 -1.705 1.00 0.00 O ATOM 984 CB THR A 752 -0.409 -10.584 -0.102 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.563 -11.804 0.631 1.00 0.00 O ATOM 986 CG2 THR A 752 0.423 -9.601 0.708 1.00 0.00 C ATOM 0 H THR A 752 -2.269 -10.390 1.568 1.00 0.00 H new ATOM 0 HA THR A 752 -1.684 -8.922 -0.621 1.00 0.00 H new ATOM 0 HB THR A 752 0.109 -10.787 -1.039 1.00 0.00 H new ATOM 0 HG1 THR A 752 -1.257 -12.353 0.210 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.394 -10.043 0.930 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.564 -8.685 0.135 1.00 0.00 H new ATOM 0 HG23 THR A 752 -0.092 -9.370 1.640 1.00 0.00 H new ATOM 994 N VAL A 753 -2.561 -9.878 -2.730 1.00 0.00 N ATOM 995 CA VAL A 753 -3.080 -10.403 -3.988 1.00 0.00 C ATOM 996 C VAL A 753 -1.970 -11.036 -4.819 1.00 0.00 C ATOM 997 O VAL A 753 -0.788 -10.882 -4.516 1.00 0.00 O ATOM 998 CB VAL A 753 -3.762 -9.299 -4.818 1.00 0.00 C ATOM 999 CG1 VAL A 753 -4.621 -9.909 -5.915 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -4.592 -8.394 -3.921 1.00 0.00 C ATOM 0 H VAL A 753 -2.392 -8.872 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 753 -3.818 -11.164 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 753 -2.988 -8.693 -5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -5.095 -9.114 -6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.996 -10.511 -6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -5.389 -10.540 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -5.066 -7.620 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.359 -8.984 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -3.946 -7.929 -3.176 1.00 0.00 H new