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 -64:sc= 0.785 USER MOD Set 1.2: A 714 GLN :FLIP amide:sc= -7.24! C(o=-7.7!,f=-6.5!) USER MOD Single : A 703 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.72) USER MOD Single : A 708 GLN : amide:sc= -0.903 K(o=-0.9,f=-2.1!) USER MOD Single : A 709 THR OG1 : rot 180:sc= 0 USER MOD Single : A 717 TYR OH : rot 180:sc= 0 USER MOD Single : A 718 LYS NZ :NH3+ -131:sc= -0.24 (180deg=-1.76!) 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= -1.06 USER MOD Single : A 737 HIS : no HE2:sc= -0.189 K(o=-0.19,f=-1.9!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot 61:sc= -2.14 USER MOD Single : A 740 CYS SG : rot 180:sc= -0.0489 USER MOD Single : A 741 GLN : amide:sc= -0.746 X(o=-0.75,f=-0.91) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 5:sc= 0.785 USER MOD Single : A 748 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.52) USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 THR OG1 : rot 45:sc= 0.173 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 9.818 -0.936 3.558 1.00 0.00 N ATOM 217 CA ASN A 703 9.141 -0.333 2.416 1.00 0.00 C ATOM 218 C ASN A 703 9.137 -1.283 1.222 1.00 0.00 C ATOM 219 O ASN A 703 8.968 -0.858 0.079 1.00 0.00 O ATOM 220 CB ASN A 703 9.818 0.984 2.031 1.00 0.00 C ATOM 221 CG ASN A 703 10.274 1.775 3.243 1.00 0.00 C ATOM 222 OD1 ASN A 703 9.663 1.705 4.309 1.00 0.00 O ATOM 223 ND2 ASN A 703 11.354 2.532 3.083 1.00 0.00 N ATOM 0 HA ASN A 703 8.109 -0.133 2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 703 10.676 0.775 1.393 1.00 0.00 H new ATOM 0 HB3 ASN A 703 9.125 1.588 1.446 1.00 0.00 H new ATOM 0 HD21 ASN A 703 11.709 3.086 3.863 1.00 0.00 H new ATOM 0 HD22 ASN A 703 11.829 2.559 2.181 1.00 0.00 H new ATOM 230 N GLU A 704 9.322 -2.570 1.497 1.00 0.00 N ATOM 231 CA GLU A 704 9.340 -3.580 0.445 1.00 0.00 C ATOM 232 C GLU A 704 7.933 -3.834 -0.090 1.00 0.00 C ATOM 233 O GLU A 704 7.689 -3.745 -1.294 1.00 0.00 O ATOM 234 CB GLU A 704 9.941 -4.885 0.971 1.00 0.00 C ATOM 235 CG GLU A 704 9.969 -6.001 -0.060 1.00 0.00 C ATOM 236 CD GLU A 704 10.598 -5.569 -1.371 1.00 0.00 C ATOM 237 OE1 GLU A 704 9.906 -4.905 -2.171 1.00 0.00 O ATOM 238 OE2 GLU A 704 11.782 -5.894 -1.596 1.00 0.00 O ATOM 0 H GLU A 704 9.461 -2.938 2.438 1.00 0.00 H new ATOM 0 HA GLU A 704 9.958 -3.207 -0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 704 10.957 -4.694 1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 704 9.368 -5.216 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 704 10.523 -6.849 0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 704 8.951 -6.345 -0.245 1.00 0.00 H new ATOM 245 N LEU A 705 7.012 -4.150 0.814 1.00 0.00 N ATOM 246 CA LEU A 705 5.629 -4.418 0.434 1.00 0.00 C ATOM 247 C LEU A 705 4.992 -3.188 -0.204 1.00 0.00 C ATOM 248 O LEU A 705 3.917 -3.272 -0.799 1.00 0.00 O ATOM 249 CB LEU A 705 4.818 -4.849 1.658 1.00 0.00 C ATOM 250 CG LEU A 705 3.308 -4.975 1.452 1.00 0.00 C ATOM 251 CD1 LEU A 705 2.997 -6.059 0.432 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.612 -5.267 2.774 1.00 0.00 C ATOM 0 H LEU A 705 7.197 -4.227 1.814 1.00 0.00 H new ATOM 0 HA LEU A 705 5.629 -5.226 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 705 5.199 -5.811 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 705 4.997 -4.131 2.459 1.00 0.00 H new ATOM 0 HG LEU A 705 2.932 -4.026 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.918 -6.134 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.464 -5.807 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 705 3.386 -7.014 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.538 -5.353 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.992 -6.202 3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.807 -4.455 3.475 1.00 0.00 H new ATOM 264 N ILE A 706 5.663 -2.048 -0.079 1.00 0.00 N ATOM 265 CA ILE A 706 5.164 -0.802 -0.647 1.00 0.00 C ATOM 266 C ILE A 706 5.162 -0.854 -2.171 1.00 0.00 C ATOM 267 O ILE A 706 6.218 -0.873 -2.803 1.00 0.00 O ATOM 268 CB ILE A 706 6.004 0.404 -0.187 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.754 0.692 1.295 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.683 1.627 -1.032 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.510 -0.553 2.119 1.00 0.00 C ATOM 0 H ILE A 706 6.554 -1.962 0.411 1.00 0.00 H new ATOM 0 HA ILE A 706 4.142 -0.680 -0.288 1.00 0.00 H new ATOM 0 HB ILE A 706 7.059 0.164 -0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.612 1.226 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 706 4.893 1.354 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.285 2.471 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 706 5.908 1.416 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.626 1.872 -0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 706 5.340 -0.274 3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.634 -1.077 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.380 -1.207 2.056 1.00 0.00 H new ATOM 283 N GLY A 707 3.968 -0.876 -2.757 1.00 0.00 N ATOM 284 CA GLY A 707 3.852 -0.924 -4.202 1.00 0.00 C ATOM 285 C GLY A 707 3.140 -2.172 -4.685 1.00 0.00 C ATOM 286 O GLY A 707 2.679 -2.229 -5.825 1.00 0.00 O ATOM 0 H GLY A 707 3.080 -0.861 -2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.312 -0.044 -4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.847 -0.883 -4.645 1.00 0.00 H new ATOM 290 N GLN A 708 3.052 -3.175 -3.817 1.00 0.00 N ATOM 291 CA GLN A 708 2.394 -4.429 -4.164 1.00 0.00 C ATOM 292 C GLN A 708 0.879 -4.255 -4.205 1.00 0.00 C ATOM 293 O GLN A 708 0.326 -3.376 -3.543 1.00 0.00 O ATOM 294 CB GLN A 708 2.766 -5.519 -3.158 1.00 0.00 C ATOM 295 CG GLN A 708 4.262 -5.637 -2.915 1.00 0.00 C ATOM 296 CD GLN A 708 5.071 -5.536 -4.193 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.615 -5.938 -5.264 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.280 -4.997 -4.087 1.00 0.00 N ATOM 0 H GLN A 708 3.428 -3.144 -2.869 1.00 0.00 H new ATOM 0 HA GLN A 708 2.735 -4.727 -5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.268 -5.313 -2.211 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.388 -6.477 -3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.577 -4.853 -2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.473 -6.590 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.618 -4.677 -3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.871 -4.903 -4.913 1.00 0.00 H new ATOM 307 N THR A 709 0.213 -5.098 -4.988 1.00 0.00 N ATOM 308 CA THR A 709 -1.237 -5.037 -5.117 1.00 0.00 C ATOM 309 C THR A 709 -1.919 -5.931 -4.088 1.00 0.00 C ATOM 310 O THR A 709 -1.837 -7.157 -4.165 1.00 0.00 O ATOM 311 CB THR A 709 -1.694 -5.456 -6.528 1.00 0.00 C ATOM 312 OG1 THR A 709 -1.190 -4.533 -7.500 1.00 0.00 O ATOM 313 CG2 THR A 709 -3.212 -5.510 -6.611 1.00 0.00 C ATOM 0 H THR A 709 0.655 -5.831 -5.542 1.00 0.00 H new ATOM 0 HA THR A 709 -1.526 -4.001 -4.942 1.00 0.00 H new ATOM 0 HB THR A 709 -1.299 -6.451 -6.734 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.483 -4.807 -8.394 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.511 -5.808 -7.616 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.590 -6.235 -5.890 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.624 -4.526 -6.387 1.00 0.00 H new ATOM 321 N VAL A 710 -2.594 -5.310 -3.126 1.00 0.00 N ATOM 322 CA VAL A 710 -3.293 -6.050 -2.082 1.00 0.00 C ATOM 323 C VAL A 710 -4.799 -5.831 -2.167 1.00 0.00 C ATOM 324 O VAL A 710 -5.261 -4.831 -2.715 1.00 0.00 O ATOM 325 CB VAL A 710 -2.804 -5.641 -0.680 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.312 -5.900 -0.538 1.00 0.00 C ATOM 327 CG2 VAL A 710 -3.127 -4.179 -0.410 1.00 0.00 C ATOM 0 H VAL A 710 -2.672 -4.296 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 710 -3.073 -7.106 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.326 -6.248 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -0.985 -5.605 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.111 -6.961 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.769 -5.320 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.775 -3.906 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.633 -3.554 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.205 -4.028 -0.467 1.00 0.00 H new ATOM 337 N ARG A 711 -5.560 -6.774 -1.620 1.00 0.00 N ATOM 338 CA ARG A 711 -7.015 -6.684 -1.635 1.00 0.00 C ATOM 339 C ARG A 711 -7.582 -6.809 -0.224 1.00 0.00 C ATOM 340 O ARG A 711 -7.443 -7.849 0.422 1.00 0.00 O ATOM 341 CB ARG A 711 -7.606 -7.775 -2.531 1.00 0.00 C ATOM 342 CG ARG A 711 -9.124 -7.755 -2.594 1.00 0.00 C ATOM 343 CD ARG A 711 -9.675 -9.057 -3.154 1.00 0.00 C ATOM 344 NE ARG A 711 -9.577 -9.112 -4.610 1.00 0.00 N ATOM 345 CZ ARG A 711 -10.343 -9.887 -5.370 1.00 0.00 C ATOM 346 NH1 ARG A 711 -11.258 -10.669 -4.814 1.00 0.00 N ATOM 347 NH2 ARG A 711 -10.195 -9.881 -6.688 1.00 0.00 N ATOM 0 H ARG A 711 -5.193 -7.608 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.289 -5.707 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -7.207 -7.661 -3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -7.279 -8.749 -2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.529 -7.587 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.453 -6.922 -3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -9.130 -9.897 -2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -10.718 -9.167 -2.857 1.00 0.00 H new ATOM 0 HE ARG A 711 -8.882 -8.523 -5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -11.375 -10.676 -3.801 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -11.845 -11.263 -5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -9.492 -9.281 -7.120 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -10.784 -10.477 -7.270 1.00 0.00 H new ATOM 361 N ILE A 712 -8.219 -5.744 0.249 1.00 0.00 N ATOM 362 CA ILE A 712 -8.807 -5.735 1.583 1.00 0.00 C ATOM 363 C ILE A 712 -9.797 -6.881 1.755 1.00 0.00 C ATOM 364 O ILE A 712 -10.525 -7.231 0.826 1.00 0.00 O ATOM 365 CB ILE A 712 -9.525 -4.404 1.873 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.524 -3.246 1.856 1.00 0.00 C ATOM 367 CG2 ILE A 712 -10.243 -4.470 3.212 1.00 0.00 C ATOM 368 CD1 ILE A 712 -9.142 -1.919 1.474 1.00 0.00 C ATOM 0 H ILE A 712 -8.341 -4.875 -0.272 1.00 0.00 H new ATOM 0 HA ILE A 712 -7.986 -5.857 2.290 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.267 -4.231 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -8.069 -3.155 2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.722 -3.479 1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.746 -3.522 3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -10.980 -5.273 3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.519 -4.662 4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -8.375 -1.145 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.573 -1.992 0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.924 -1.663 2.188 1.00 0.00 H new ATOM 380 N SER A 713 -9.821 -7.462 2.950 1.00 0.00 N ATOM 381 CA SER A 713 -10.721 -8.571 3.245 1.00 0.00 C ATOM 382 C SER A 713 -11.716 -8.188 4.336 1.00 0.00 C ATOM 383 O SER A 713 -12.878 -8.591 4.300 1.00 0.00 O ATOM 384 CB SER A 713 -9.923 -9.803 3.675 1.00 0.00 C ATOM 385 OG SER A 713 -10.781 -10.899 3.939 1.00 0.00 O ATOM 0 H SER A 713 -9.227 -7.183 3.731 1.00 0.00 H new ATOM 0 HA SER A 713 -11.277 -8.806 2.338 1.00 0.00 H new ATOM 0 HB2 SER A 713 -9.214 -10.072 2.892 1.00 0.00 H new ATOM 0 HB3 SER A 713 -9.340 -9.570 4.566 1.00 0.00 H new ATOM 0 HG SER A 713 -11.360 -10.685 4.700 1.00 0.00 H new ATOM 391 N GLN A 714 -11.249 -7.408 5.306 1.00 0.00 N ATOM 392 CA GLN A 714 -12.097 -6.971 6.409 1.00 0.00 C ATOM 393 C GLN A 714 -12.486 -5.505 6.249 1.00 0.00 C ATOM 394 O GLN A 714 -12.157 -4.871 5.248 1.00 0.00 O ATOM 395 CB GLN A 714 -11.380 -7.179 7.744 1.00 0.00 C ATOM 396 CG GLN A 714 -11.263 -8.639 8.151 1.00 0.00 C ATOM 397 CD GLN A 714 -11.008 -9.555 6.971 1.00 0.00 C ATOM 398 OE1 GLN A 714 -12.068 -9.908 6.254 1.00 0.00 O flip ATOM 399 NE2 GLN A 714 -9.869 -9.942 6.706 1.00 0.00 N flip ATOM 0 H GLN A 714 -10.289 -7.066 5.350 1.00 0.00 H new ATOM 0 HA GLN A 714 -13.006 -7.572 6.396 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -10.381 -6.747 7.682 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -11.915 -6.635 8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -10.453 -8.747 8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -12.180 -8.947 8.653 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -9.082 -9.646 7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -9.712 -10.558 5.909 1.00 0.00 H new ATOM 408 N GLY A 715 -13.188 -4.972 7.245 1.00 0.00 N ATOM 409 CA GLY A 715 -13.610 -3.585 7.195 1.00 0.00 C ATOM 410 C GLY A 715 -14.676 -3.340 6.145 1.00 0.00 C ATOM 411 O GLY A 715 -15.039 -4.233 5.378 1.00 0.00 O ATOM 0 H GLY A 715 -13.472 -5.476 8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -13.992 -3.289 8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.747 -2.953 6.986 1.00 0.00 H new ATOM 415 N PRO A 716 -15.197 -2.105 6.101 1.00 0.00 N ATOM 416 CA PRO A 716 -16.236 -1.718 5.142 1.00 0.00 C ATOM 417 C PRO A 716 -15.709 -1.652 3.712 1.00 0.00 C ATOM 418 O PRO A 716 -16.469 -1.421 2.771 1.00 0.00 O ATOM 419 CB PRO A 716 -16.659 -0.326 5.620 1.00 0.00 C ATOM 420 CG PRO A 716 -15.471 0.201 6.349 1.00 0.00 C ATOM 421 CD PRO A 716 -14.812 -0.992 6.984 1.00 0.00 C ATOM 0 HA PRO A 716 -17.052 -2.440 5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.926 0.317 4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -17.532 -0.379 6.271 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -14.788 0.707 5.667 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -15.768 0.930 7.103 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.730 -0.874 7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -15.162 -1.149 8.004 1.00 0.00 H new ATOM 429 N TYR A 717 -14.406 -1.857 3.557 1.00 0.00 N ATOM 430 CA TYR A 717 -13.778 -1.819 2.241 1.00 0.00 C ATOM 431 C TYR A 717 -13.375 -3.220 1.790 1.00 0.00 C ATOM 432 O TYR A 717 -12.414 -3.391 1.040 1.00 0.00 O ATOM 433 CB TYR A 717 -12.551 -0.906 2.265 1.00 0.00 C ATOM 434 CG TYR A 717 -12.851 0.499 2.736 1.00 0.00 C ATOM 435 CD1 TYR A 717 -12.996 0.783 4.088 1.00 0.00 C ATOM 436 CD2 TYR A 717 -12.990 1.542 1.829 1.00 0.00 C ATOM 437 CE1 TYR A 717 -13.271 2.065 4.523 1.00 0.00 C ATOM 438 CE2 TYR A 717 -13.263 2.827 2.255 1.00 0.00 C ATOM 439 CZ TYR A 717 -13.403 3.084 3.603 1.00 0.00 C ATOM 440 OH TYR A 717 -13.676 4.363 4.031 1.00 0.00 O ATOM 0 H TYR A 717 -13.764 -2.051 4.326 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.504 -1.423 1.531 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.795 -1.345 2.916 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -12.122 -0.861 1.264 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -12.892 -0.012 4.811 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -12.883 1.345 0.773 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -13.382 2.268 5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -13.366 3.627 1.536 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.736 4.961 3.257 1.00 0.00 H new ATOM 450 N LYS A 718 -14.119 -4.220 2.251 1.00 0.00 N ATOM 451 CA LYS A 718 -13.843 -5.606 1.894 1.00 0.00 C ATOM 452 C LYS A 718 -14.031 -5.831 0.397 1.00 0.00 C ATOM 453 O LYS A 718 -14.996 -5.352 -0.196 1.00 0.00 O ATOM 454 CB LYS A 718 -14.758 -6.548 2.681 1.00 0.00 C ATOM 455 CG LYS A 718 -14.775 -7.969 2.143 1.00 0.00 C ATOM 456 CD LYS A 718 -15.688 -8.864 2.963 1.00 0.00 C ATOM 457 CE LYS A 718 -17.148 -8.673 2.580 1.00 0.00 C ATOM 458 NZ LYS A 718 -17.787 -7.575 3.357 1.00 0.00 N ATOM 0 H LYS A 718 -14.918 -4.096 2.873 1.00 0.00 H new ATOM 0 HA LYS A 718 -12.805 -5.821 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.437 -6.566 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -15.773 -6.151 2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.107 -7.962 1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -13.763 -8.374 2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.406 -9.906 2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -15.557 -8.645 4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -17.218 -8.452 1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -17.692 -9.602 2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -18.690 -7.908 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -17.157 -7.287 4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -17.960 -6.762 2.732 1.00 0.00 H new ATOM 472 N GLY A 719 -13.101 -6.564 -0.208 1.00 0.00 N ATOM 473 CA GLY A 719 -13.183 -6.840 -1.630 1.00 0.00 C ATOM 474 C GLY A 719 -12.750 -5.659 -2.476 1.00 0.00 C ATOM 475 O GLY A 719 -13.262 -5.453 -3.576 1.00 0.00 O ATOM 0 H GLY A 719 -12.292 -6.971 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.558 -7.701 -1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.207 -7.110 -1.886 1.00 0.00 H new ATOM 479 N TYR A 720 -11.805 -4.880 -1.962 1.00 0.00 N ATOM 480 CA TYR A 720 -11.306 -3.711 -2.675 1.00 0.00 C ATOM 481 C TYR A 720 -9.815 -3.847 -2.970 1.00 0.00 C ATOM 482 O TYR A 720 -9.066 -4.424 -2.181 1.00 0.00 O ATOM 483 CB TYR A 720 -11.562 -2.442 -1.860 1.00 0.00 C ATOM 484 CG TYR A 720 -12.950 -1.873 -2.045 1.00 0.00 C ATOM 485 CD1 TYR A 720 -14.075 -2.597 -1.666 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.138 -0.612 -2.597 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.345 -2.081 -1.833 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.405 -0.089 -2.767 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.506 -0.827 -2.384 1.00 0.00 C ATOM 490 OH TYR A 720 -16.770 -0.310 -2.551 1.00 0.00 O ATOM 0 H TYR A 720 -11.369 -5.037 -1.053 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.840 -3.640 -3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.406 -2.661 -0.804 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.828 -1.686 -2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -13.954 -3.579 -1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.279 -0.031 -2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.208 -2.657 -1.533 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.533 0.893 -3.198 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.708 0.583 -2.951 1.00 0.00 H new ATOM 500 N ILE A 721 -9.393 -3.312 -4.110 1.00 0.00 N ATOM 501 CA ILE A 721 -7.992 -3.372 -4.509 1.00 0.00 C ATOM 502 C ILE A 721 -7.260 -2.086 -4.142 1.00 0.00 C ATOM 503 O ILE A 721 -7.845 -1.003 -4.147 1.00 0.00 O ATOM 504 CB ILE A 721 -7.848 -3.617 -6.023 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.579 -4.899 -6.426 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.378 -3.696 -6.409 1.00 0.00 C ATOM 507 CD1 ILE A 721 -8.028 -6.143 -5.766 1.00 0.00 C ATOM 0 H ILE A 721 -10.001 -2.832 -4.774 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.546 -4.208 -3.970 1.00 0.00 H new ATOM 0 HB ILE A 721 -8.300 -2.780 -6.556 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.635 -4.800 -6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.521 -5.016 -7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -6.292 -3.869 -7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.884 -2.759 -6.152 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.904 -4.516 -5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.595 -7.013 -6.098 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -6.980 -6.266 -6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -8.111 -6.048 -4.683 1.00 0.00 H new ATOM 519 N GLY A 722 -5.975 -2.212 -3.825 1.00 0.00 N ATOM 520 CA GLY A 722 -5.183 -1.051 -3.461 1.00 0.00 C ATOM 521 C GLY A 722 -3.704 -1.367 -3.361 1.00 0.00 C ATOM 522 O GLY A 722 -3.322 -2.484 -3.010 1.00 0.00 O ATOM 0 H GLY A 722 -5.468 -3.097 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.334 -0.265 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.534 -0.661 -2.505 1.00 0.00 H new ATOM 526 N VAL A 723 -2.868 -0.382 -3.672 1.00 0.00 N ATOM 527 CA VAL A 723 -1.422 -0.560 -3.616 1.00 0.00 C ATOM 528 C VAL A 723 -0.853 -0.032 -2.304 1.00 0.00 C ATOM 529 O VAL A 723 -1.084 1.119 -1.933 1.00 0.00 O ATOM 530 CB VAL A 723 -0.723 0.153 -4.789 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.786 0.153 -4.591 1.00 0.00 C ATOM 532 CG2 VAL A 723 -1.095 -0.505 -6.110 1.00 0.00 C ATOM 0 H VAL A 723 -3.167 0.548 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.233 -1.631 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.062 1.188 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.263 0.661 -5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 723 1.031 0.673 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.146 -0.874 -4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.592 0.011 -6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.785 -1.550 -6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -2.174 -0.448 -6.254 1.00 0.00 H new ATOM 542 N VAL A 724 -0.108 -0.881 -1.604 1.00 0.00 N ATOM 543 CA VAL A 724 0.496 -0.500 -0.333 1.00 0.00 C ATOM 544 C VAL A 724 1.441 0.683 -0.506 1.00 0.00 C ATOM 545 O VAL A 724 2.483 0.571 -1.152 1.00 0.00 O ATOM 546 CB VAL A 724 1.271 -1.674 0.295 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.801 -1.291 1.668 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.388 -2.910 0.380 1.00 0.00 C ATOM 0 H VAL A 724 0.092 -1.838 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.320 -0.216 0.332 1.00 0.00 H new ATOM 0 HB VAL A 724 2.123 -1.908 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.345 -2.133 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.470 -0.436 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 724 0.967 -1.029 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 724 0.951 -3.730 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.485 -2.692 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.064 -3.195 -0.621 1.00 0.00 H new ATOM 558 N LYS A 725 1.071 1.819 0.076 1.00 0.00 N ATOM 559 CA LYS A 725 1.886 3.025 -0.011 1.00 0.00 C ATOM 560 C LYS A 725 2.874 3.099 1.148 1.00 0.00 C ATOM 561 O LYS A 725 4.021 3.510 0.974 1.00 0.00 O ATOM 562 CB LYS A 725 0.994 4.269 -0.016 1.00 0.00 C ATOM 563 CG LYS A 725 -0.138 4.202 -1.027 1.00 0.00 C ATOM 564 CD LYS A 725 0.278 4.779 -2.369 1.00 0.00 C ATOM 565 CE LYS A 725 0.853 3.708 -3.283 1.00 0.00 C ATOM 566 NZ LYS A 725 1.567 4.298 -4.449 1.00 0.00 N ATOM 0 H LYS A 725 0.211 1.930 0.613 1.00 0.00 H new ATOM 0 HA LYS A 725 2.450 2.986 -0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.573 4.408 0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 725 1.607 5.145 -0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.450 3.166 -1.157 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -1.000 4.750 -0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 725 -0.583 5.244 -2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 725 1.019 5.563 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 725 1.540 3.078 -2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 725 0.049 3.064 -3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 1.944 3.535 -5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 0.906 4.878 -5.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 2.351 4.893 -4.112 1.00 0.00 H new ATOM 580 N ASP A 726 2.421 2.698 2.331 1.00 0.00 N ATOM 581 CA ASP A 726 3.267 2.717 3.520 1.00 0.00 C ATOM 582 C ASP A 726 2.988 1.506 4.404 1.00 0.00 C ATOM 583 O ASP A 726 1.851 1.046 4.504 1.00 0.00 O ATOM 584 CB ASP A 726 3.041 4.006 4.312 1.00 0.00 C ATOM 585 CG ASP A 726 4.273 4.435 5.083 1.00 0.00 C ATOM 586 OD1 ASP A 726 5.128 3.569 5.365 1.00 0.00 O ATOM 587 OD2 ASP A 726 4.383 5.637 5.404 1.00 0.00 O ATOM 0 H ASP A 726 1.474 2.356 2.493 1.00 0.00 H new ATOM 0 HA ASP A 726 4.307 2.676 3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.748 4.803 3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.213 3.862 5.006 1.00 0.00 H new ATOM 592 N ALA A 727 4.035 0.993 5.043 1.00 0.00 N ATOM 593 CA ALA A 727 3.902 -0.164 5.919 1.00 0.00 C ATOM 594 C ALA A 727 3.999 0.244 7.386 1.00 0.00 C ATOM 595 O ALA A 727 5.023 0.762 7.831 1.00 0.00 O ATOM 596 CB ALA A 727 4.965 -1.202 5.587 1.00 0.00 C ATOM 0 H ALA A 727 4.984 1.361 4.970 1.00 0.00 H new ATOM 0 HA ALA A 727 2.917 -0.602 5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.854 -2.061 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.849 -1.524 4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.955 -0.765 5.722 1.00 0.00 H new ATOM 602 N THR A 728 2.924 0.008 8.133 1.00 0.00 N ATOM 603 CA THR A 728 2.887 0.353 9.548 1.00 0.00 C ATOM 604 C THR A 728 2.963 -0.895 10.420 1.00 0.00 C ATOM 605 O THR A 728 2.597 -1.988 9.988 1.00 0.00 O ATOM 606 CB THR A 728 1.609 1.136 9.902 1.00 0.00 C ATOM 607 OG1 THR A 728 1.186 1.917 8.779 1.00 0.00 O ATOM 608 CG2 THR A 728 1.846 2.046 11.098 1.00 0.00 C ATOM 0 H THR A 728 2.068 -0.421 7.781 1.00 0.00 H new ATOM 0 HA THR A 728 3.755 0.982 9.743 1.00 0.00 H new ATOM 0 HB THR A 728 0.830 0.419 10.160 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.372 2.410 9.012 1.00 0.00 H new ATOM 0 HG21 THR A 728 0.930 2.589 11.329 1.00 0.00 H new ATOM 0 HG22 THR A 728 2.140 1.446 11.959 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.639 2.756 10.863 1.00 0.00 H new ATOM 616 N GLU A 729 3.438 -0.725 11.650 1.00 0.00 N ATOM 617 CA GLU A 729 3.561 -1.840 12.582 1.00 0.00 C ATOM 618 C GLU A 729 2.302 -2.702 12.568 1.00 0.00 C ATOM 619 O GLU A 729 2.311 -3.824 12.062 1.00 0.00 O ATOM 620 CB GLU A 729 3.823 -1.323 13.998 1.00 0.00 C ATOM 621 CG GLU A 729 3.941 -2.426 15.036 1.00 0.00 C ATOM 622 CD GLU A 729 5.057 -3.404 14.724 1.00 0.00 C ATOM 623 OE1 GLU A 729 6.235 -2.990 14.762 1.00 0.00 O ATOM 624 OE2 GLU A 729 4.753 -4.581 14.443 1.00 0.00 O ATOM 0 H GLU A 729 3.744 0.173 12.024 1.00 0.00 H new ATOM 0 HA GLU A 729 4.404 -2.454 12.265 1.00 0.00 H new ATOM 0 HB2 GLU A 729 4.742 -0.736 13.997 1.00 0.00 H new ATOM 0 HB3 GLU A 729 3.015 -0.650 14.285 1.00 0.00 H new ATOM 0 HG2 GLU A 729 4.116 -1.981 16.015 1.00 0.00 H new ATOM 0 HG3 GLU A 729 2.996 -2.966 15.096 1.00 0.00 H new ATOM 631 N SER A 730 1.221 -2.168 13.128 1.00 0.00 N ATOM 632 CA SER A 730 -0.045 -2.890 13.185 1.00 0.00 C ATOM 633 C SER A 730 -1.050 -2.302 12.198 1.00 0.00 C ATOM 634 O SER A 730 -2.262 -2.404 12.392 1.00 0.00 O ATOM 635 CB SER A 730 -0.619 -2.844 14.602 1.00 0.00 C ATOM 636 OG SER A 730 0.204 -3.558 15.509 1.00 0.00 O ATOM 0 H SER A 730 1.196 -1.239 13.548 1.00 0.00 H new ATOM 0 HA SER A 730 0.144 -3.928 12.911 1.00 0.00 H new ATOM 0 HB2 SER A 730 -0.710 -1.808 14.927 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.623 -3.269 14.605 1.00 0.00 H new ATOM 0 HG SER A 730 -0.183 -3.512 16.408 1.00 0.00 H new ATOM 642 N THR A 731 -0.537 -1.685 11.138 1.00 0.00 N ATOM 643 CA THR A 731 -1.387 -1.080 10.121 1.00 0.00 C ATOM 644 C THR A 731 -0.646 -0.942 8.795 1.00 0.00 C ATOM 645 O THR A 731 0.553 -1.205 8.714 1.00 0.00 O ATOM 646 CB THR A 731 -1.889 0.308 10.561 1.00 0.00 C ATOM 647 OG1 THR A 731 -0.938 0.916 11.443 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.237 0.200 11.258 1.00 0.00 C ATOM 0 H THR A 731 0.463 -1.591 10.962 1.00 0.00 H new ATOM 0 HA THR A 731 -2.242 -1.743 9.989 1.00 0.00 H new ATOM 0 HB THR A 731 -2.006 0.926 9.671 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.264 1.799 11.717 1.00 0.00 H new ATOM 0 HG21 THR A 731 -3.571 1.193 11.560 1.00 0.00 H new ATOM 0 HG22 THR A 731 -3.966 -0.236 10.575 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.141 -0.434 12.140 1.00 0.00 H new ATOM 656 N ALA A 732 -1.368 -0.528 7.759 1.00 0.00 N ATOM 657 CA ALA A 732 -0.778 -0.354 6.438 1.00 0.00 C ATOM 658 C ALA A 732 -1.577 0.646 5.608 1.00 0.00 C ATOM 659 O ALA A 732 -2.762 0.442 5.346 1.00 0.00 O ATOM 660 CB ALA A 732 -0.691 -1.691 5.718 1.00 0.00 C ATOM 0 H ALA A 732 -2.362 -0.307 7.809 1.00 0.00 H new ATOM 0 HA ALA A 732 0.229 0.042 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 732 -0.248 -1.545 4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 732 -0.071 -2.376 6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.691 -2.111 5.608 1.00 0.00 H new ATOM 666 N ARG A 733 -0.920 1.726 5.198 1.00 0.00 N ATOM 667 CA ARG A 733 -1.570 2.758 4.399 1.00 0.00 C ATOM 668 C ARG A 733 -1.544 2.395 2.917 1.00 0.00 C ATOM 669 O ARG A 733 -0.544 2.609 2.232 1.00 0.00 O ATOM 670 CB ARG A 733 -0.884 4.108 4.616 1.00 0.00 C ATOM 671 CG ARG A 733 -1.281 4.791 5.915 1.00 0.00 C ATOM 672 CD ARG A 733 -0.956 3.925 7.122 1.00 0.00 C ATOM 673 NE ARG A 733 -1.152 4.642 8.379 1.00 0.00 N ATOM 674 CZ ARG A 733 -0.329 5.587 8.821 1.00 0.00 C ATOM 675 NH1 ARG A 733 0.739 5.926 8.113 1.00 0.00 N ATOM 676 NH2 ARG A 733 -0.574 6.194 9.975 1.00 0.00 N ATOM 0 H ARG A 733 0.062 1.909 5.406 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.609 2.830 4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.196 3.963 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -1.124 4.766 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 733 -0.760 5.745 6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 733 -2.349 5.011 5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -1.586 3.036 7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 733 0.077 3.585 7.056 1.00 0.00 H new ATOM 0 HE ARG A 733 -1.964 4.405 8.948 1.00 0.00 H new ATOM 0 HH11 ARG A 733 0.931 5.461 7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 733 1.369 6.652 8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -1.394 5.935 10.523 1.00 0.00 H new ATOM 0 HH22 ARG A 733 0.058 6.919 10.314 1.00 0.00 H new ATOM 690 N VAL A 734 -2.651 1.844 2.429 1.00 0.00 N ATOM 691 CA VAL A 734 -2.756 1.451 1.029 1.00 0.00 C ATOM 692 C VAL A 734 -3.594 2.451 0.239 1.00 0.00 C ATOM 693 O VAL A 734 -4.545 3.030 0.764 1.00 0.00 O ATOM 694 CB VAL A 734 -3.379 0.050 0.884 1.00 0.00 C ATOM 695 CG1 VAL A 734 -3.716 -0.237 -0.571 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.440 -1.010 1.441 1.00 0.00 C ATOM 0 H VAL A 734 -3.488 1.660 2.983 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.742 1.433 0.629 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.305 0.022 1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.155 -1.231 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.428 0.505 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -2.807 -0.191 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -2.896 -1.994 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.497 -0.984 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.254 -0.813 2.497 1.00 0.00 H new ATOM 706 N GLU A 735 -3.233 2.649 -1.025 1.00 0.00 N ATOM 707 CA GLU A 735 -3.952 3.580 -1.887 1.00 0.00 C ATOM 708 C GLU A 735 -4.907 2.835 -2.815 1.00 0.00 C ATOM 709 O GLU A 735 -4.490 2.256 -3.819 1.00 0.00 O ATOM 710 CB GLU A 735 -2.967 4.411 -2.711 1.00 0.00 C ATOM 711 CG GLU A 735 -3.635 5.280 -3.763 1.00 0.00 C ATOM 712 CD GLU A 735 -2.635 6.003 -4.644 1.00 0.00 C ATOM 713 OE1 GLU A 735 -1.890 6.857 -4.118 1.00 0.00 O ATOM 714 OE2 GLU A 735 -2.596 5.716 -5.858 1.00 0.00 O ATOM 0 H GLU A 735 -2.448 2.178 -1.474 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.536 4.246 -1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.390 5.047 -2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.260 3.741 -3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -4.280 4.659 -4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -4.276 6.012 -3.271 1.00 0.00 H new ATOM 721 N LEU A 736 -6.191 2.854 -2.473 1.00 0.00 N ATOM 722 CA LEU A 736 -7.206 2.180 -3.275 1.00 0.00 C ATOM 723 C LEU A 736 -7.078 2.560 -4.747 1.00 0.00 C ATOM 724 O LEU A 736 -6.519 3.605 -5.083 1.00 0.00 O ATOM 725 CB LEU A 736 -8.604 2.534 -2.765 1.00 0.00 C ATOM 726 CG LEU A 736 -9.082 1.767 -1.531 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.366 2.375 -0.989 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.284 0.296 -1.862 1.00 0.00 C ATOM 0 H LEU A 736 -6.553 3.329 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.053 1.105 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.627 3.600 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.317 2.365 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.315 1.843 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.691 1.816 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.188 3.414 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.141 2.331 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.624 -0.234 -0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.031 0.200 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.341 -0.133 -2.202 1.00 0.00 H new ATOM 740 N HIS A 737 -7.602 1.707 -5.621 1.00 0.00 N ATOM 741 CA HIS A 737 -7.550 1.955 -7.057 1.00 0.00 C ATOM 742 C HIS A 737 -8.717 2.831 -7.501 1.00 0.00 C ATOM 743 O HIS A 737 -8.543 3.763 -8.286 1.00 0.00 O ATOM 744 CB HIS A 737 -7.569 0.633 -7.825 1.00 0.00 C ATOM 745 CG HIS A 737 -6.208 0.046 -8.042 1.00 0.00 C ATOM 746 ND1 HIS A 737 -5.886 -0.723 -9.140 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.082 0.121 -7.293 1.00 0.00 C ATOM 748 CE1 HIS A 737 -4.621 -1.098 -9.057 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.111 -0.598 -7.946 1.00 0.00 N ATOM 0 H HIS A 737 -8.068 0.838 -5.360 1.00 0.00 H new ATOM 0 HA HIS A 737 -6.621 2.481 -7.276 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.183 -0.085 -7.281 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -8.046 0.791 -8.792 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.524 -0.965 -9.898 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -4.969 0.648 -6.357 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -4.094 -1.709 -9.775 1.00 0.00 H new ATOM 757 N SER A 738 -9.907 2.525 -6.993 1.00 0.00 N ATOM 758 CA SER A 738 -11.104 3.283 -7.340 1.00 0.00 C ATOM 759 C SER A 738 -11.078 4.665 -6.695 1.00 0.00 C ATOM 760 O SER A 738 -10.872 5.675 -7.369 1.00 0.00 O ATOM 761 CB SER A 738 -12.358 2.525 -6.900 1.00 0.00 C ATOM 762 OG SER A 738 -12.413 1.241 -7.497 1.00 0.00 O ATOM 0 H SER A 738 -10.068 1.758 -6.340 1.00 0.00 H new ATOM 0 HA SER A 738 -11.125 3.408 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.365 2.425 -5.815 1.00 0.00 H new ATOM 0 HB3 SER A 738 -13.246 3.095 -7.173 1.00 0.00 H new ATOM 0 HG SER A 738 -13.222 0.776 -7.199 1.00 0.00 H new ATOM 768 N THR A 739 -11.290 4.702 -5.383 1.00 0.00 N ATOM 769 CA THR A 739 -11.293 5.959 -4.645 1.00 0.00 C ATOM 770 C THR A 739 -9.964 6.690 -4.797 1.00 0.00 C ATOM 771 O THR A 739 -9.872 7.891 -4.542 1.00 0.00 O ATOM 772 CB THR A 739 -11.571 5.731 -3.147 1.00 0.00 C ATOM 773 OG1 THR A 739 -10.537 4.924 -2.574 1.00 0.00 O ATOM 774 CG2 THR A 739 -12.919 5.056 -2.944 1.00 0.00 C ATOM 0 H THR A 739 -11.462 3.876 -4.810 1.00 0.00 H new ATOM 0 HA THR A 739 -12.091 6.570 -5.067 1.00 0.00 H new ATOM 0 HB THR A 739 -11.590 6.702 -2.652 1.00 0.00 H new ATOM 0 HG1 THR A 739 -9.676 5.384 -2.663 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.094 4.905 -1.879 1.00 0.00 H new ATOM 0 HG22 THR A 739 -13.707 5.687 -3.355 1.00 0.00 H new ATOM 0 HG23 THR A 739 -12.923 4.092 -3.452 1.00 0.00 H new ATOM 782 N CYS A 740 -8.937 5.958 -5.215 1.00 0.00 N ATOM 783 CA CYS A 740 -7.611 6.537 -5.401 1.00 0.00 C ATOM 784 C CYS A 740 -7.196 7.350 -4.179 1.00 0.00 C ATOM 785 O CYS A 740 -6.735 8.484 -4.304 1.00 0.00 O ATOM 786 CB CYS A 740 -7.589 7.422 -6.648 1.00 0.00 C ATOM 787 SG CYS A 740 -5.929 7.811 -7.248 1.00 0.00 S ATOM 0 H CYS A 740 -8.997 4.963 -5.431 1.00 0.00 H new ATOM 0 HA CYS A 740 -6.900 5.721 -5.530 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -8.144 6.924 -7.443 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -8.112 8.353 -6.429 1.00 0.00 H new ATOM 0 HG CYS A 740 -6.015 8.562 -8.306 1.00 0.00 H new ATOM 793 N GLN A 741 -7.365 6.762 -2.999 1.00 0.00 N ATOM 794 CA GLN A 741 -7.009 7.433 -1.754 1.00 0.00 C ATOM 795 C GLN A 741 -6.328 6.467 -0.790 1.00 0.00 C ATOM 796 O GLN A 741 -6.526 5.254 -0.865 1.00 0.00 O ATOM 797 CB GLN A 741 -8.255 8.031 -1.099 1.00 0.00 C ATOM 798 CG GLN A 741 -9.169 6.993 -0.468 1.00 0.00 C ATOM 799 CD GLN A 741 -9.975 7.551 0.688 1.00 0.00 C ATOM 800 OE1 GLN A 741 -10.096 8.767 0.847 1.00 0.00 O ATOM 801 NE2 GLN A 741 -10.533 6.665 1.504 1.00 0.00 N ATOM 0 H GLN A 741 -7.746 5.823 -2.879 1.00 0.00 H new ATOM 0 HA GLN A 741 -6.310 8.235 -1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -7.947 8.744 -0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -8.816 8.590 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -9.849 6.604 -1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -8.570 6.153 -0.116 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -10.408 5.667 1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -11.087 6.982 2.299 1.00 0.00 H new ATOM 810 N THR A 742 -5.522 7.013 0.116 1.00 0.00 N ATOM 811 CA THR A 742 -4.810 6.200 1.094 1.00 0.00 C ATOM 812 C THR A 742 -5.685 5.907 2.307 1.00 0.00 C ATOM 813 O THR A 742 -6.324 6.807 2.855 1.00 0.00 O ATOM 814 CB THR A 742 -3.516 6.891 1.562 1.00 0.00 C ATOM 815 OG1 THR A 742 -2.681 7.184 0.436 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.759 6.012 2.546 1.00 0.00 C ATOM 0 H THR A 742 -5.346 8.015 0.192 1.00 0.00 H new ATOM 0 HA THR A 742 -4.554 5.263 0.600 1.00 0.00 H new ATOM 0 HB THR A 742 -3.788 7.820 2.063 1.00 0.00 H new ATOM 0 HG1 THR A 742 -1.861 7.625 0.743 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.849 6.521 2.863 1.00 0.00 H new ATOM 0 HG22 THR A 742 -3.386 5.816 3.416 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.499 5.069 2.066 1.00 0.00 H new ATOM 824 N ILE A 743 -5.709 4.646 2.723 1.00 0.00 N ATOM 825 CA ILE A 743 -6.504 4.236 3.874 1.00 0.00 C ATOM 826 C ILE A 743 -5.712 3.307 4.787 1.00 0.00 C ATOM 827 O ILE A 743 -5.001 2.418 4.319 1.00 0.00 O ATOM 828 CB ILE A 743 -7.800 3.527 3.439 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.478 2.346 2.521 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.732 4.507 2.741 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.512 1.243 2.570 1.00 0.00 C ATOM 0 H ILE A 743 -5.187 3.890 2.280 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.761 5.144 4.419 1.00 0.00 H new ATOM 0 HB ILE A 743 -8.303 3.146 4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.391 2.706 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.507 1.935 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.643 3.991 2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.984 5.319 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.237 4.914 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.219 0.439 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.583 0.856 3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.481 1.638 2.264 1.00 0.00 H new ATOM 843 N SER A 744 -5.841 3.518 6.093 1.00 0.00 N ATOM 844 CA SER A 744 -5.136 2.701 7.073 1.00 0.00 C ATOM 845 C SER A 744 -5.866 1.382 7.308 1.00 0.00 C ATOM 846 O SER A 744 -7.029 1.367 7.711 1.00 0.00 O ATOM 847 CB SER A 744 -4.993 3.460 8.394 1.00 0.00 C ATOM 848 OG SER A 744 -6.218 3.478 9.107 1.00 0.00 O ATOM 0 H SER A 744 -6.428 4.248 6.497 1.00 0.00 H new ATOM 0 HA SER A 744 -4.144 2.482 6.679 1.00 0.00 H new ATOM 0 HB2 SER A 744 -4.220 2.992 9.004 1.00 0.00 H new ATOM 0 HB3 SER A 744 -4.668 4.482 8.197 1.00 0.00 H new ATOM 0 HG SER A 744 -6.880 2.933 8.633 1.00 0.00 H new ATOM 854 N VAL A 745 -5.175 0.276 7.052 1.00 0.00 N ATOM 855 CA VAL A 745 -5.756 -1.048 7.236 1.00 0.00 C ATOM 856 C VAL A 745 -4.750 -2.008 7.863 1.00 0.00 C ATOM 857 O VAL A 745 -3.554 -1.943 7.579 1.00 0.00 O ATOM 858 CB VAL A 745 -6.245 -1.637 5.899 1.00 0.00 C ATOM 859 CG1 VAL A 745 -6.764 -3.053 6.097 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.317 -0.748 5.287 1.00 0.00 C ATOM 0 H VAL A 745 -4.212 0.271 6.716 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.607 -0.929 7.906 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.402 -1.678 5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.105 -3.452 5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -5.965 -3.682 6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.595 -3.041 6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.651 -1.178 4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -8.162 -0.673 5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.907 0.246 5.107 1.00 0.00 H new ATOM 870 N ASP A 746 -5.244 -2.897 8.717 1.00 0.00 N ATOM 871 CA ASP A 746 -4.389 -3.872 9.385 1.00 0.00 C ATOM 872 C ASP A 746 -3.576 -4.668 8.368 1.00 0.00 C ATOM 873 O ASP A 746 -4.126 -5.226 7.419 1.00 0.00 O ATOM 874 CB ASP A 746 -5.231 -4.822 10.238 1.00 0.00 C ATOM 875 CG ASP A 746 -4.431 -5.458 11.358 1.00 0.00 C ATOM 876 OD1 ASP A 746 -3.212 -5.657 11.176 1.00 0.00 O ATOM 877 OD2 ASP A 746 -5.024 -5.758 12.415 1.00 0.00 O ATOM 0 H ASP A 746 -6.232 -2.963 8.963 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.699 -3.330 10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -6.073 -4.275 10.662 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -5.647 -5.604 9.603 1.00 0.00 H new ATOM 882 N ARG A 747 -2.263 -4.714 8.573 1.00 0.00 N ATOM 883 CA ARG A 747 -1.375 -5.439 7.674 1.00 0.00 C ATOM 884 C ARG A 747 -1.945 -6.814 7.337 1.00 0.00 C ATOM 885 O ARG A 747 -1.864 -7.266 6.195 1.00 0.00 O ATOM 886 CB ARG A 747 0.011 -5.591 8.304 1.00 0.00 C ATOM 887 CG ARG A 747 0.712 -4.267 8.560 1.00 0.00 C ATOM 888 CD ARG A 747 2.225 -4.427 8.550 1.00 0.00 C ATOM 889 NE ARG A 747 2.730 -4.930 9.825 1.00 0.00 N ATOM 890 CZ ARG A 747 3.937 -5.463 9.978 1.00 0.00 C ATOM 891 NH1 ARG A 747 4.758 -5.560 8.942 1.00 0.00 N ATOM 892 NH2 ARG A 747 4.324 -5.898 11.170 1.00 0.00 N ATOM 0 H ARG A 747 -1.792 -4.257 9.354 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.287 -4.865 6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 747 -0.085 -6.130 9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.633 -6.201 7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.416 -3.544 7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.394 -3.865 9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.512 -5.111 7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.690 -3.466 8.330 1.00 0.00 H new ATOM 0 HE ARG A 747 2.123 -4.869 10.642 1.00 0.00 H new ATOM 0 HH11 ARG A 747 4.463 -5.225 8.025 1.00 0.00 H new ATOM 0 HH12 ARG A 747 5.684 -5.970 9.062 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.695 -5.823 11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 747 5.251 -6.307 11.287 1.00 0.00 H new ATOM 906 N GLN A 748 -2.522 -7.471 8.338 1.00 0.00 N ATOM 907 CA GLN A 748 -3.104 -8.794 8.147 1.00 0.00 C ATOM 908 C GLN A 748 -4.391 -8.710 7.332 1.00 0.00 C ATOM 909 O GLN A 748 -4.599 -9.488 6.401 1.00 0.00 O ATOM 910 CB GLN A 748 -3.385 -9.450 9.500 1.00 0.00 C ATOM 911 CG GLN A 748 -2.173 -10.139 10.106 1.00 0.00 C ATOM 912 CD GLN A 748 -1.678 -11.297 9.262 1.00 0.00 C ATOM 913 OE1 GLN A 748 -2.470 -12.067 8.718 1.00 0.00 O ATOM 914 NE2 GLN A 748 -0.361 -11.427 9.149 1.00 0.00 N ATOM 0 H GLN A 748 -2.599 -7.109 9.289 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.387 -9.403 7.597 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -3.746 -8.691 10.194 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -4.186 -10.180 9.381 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -1.369 -9.413 10.227 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -2.426 -10.502 11.102 1.00 0.00 H new ATOM 0 HE21 GLN A 748 0.259 -10.766 9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 748 0.031 -12.188 8.594 1.00 0.00 H new ATOM 923 N ARG A 749 -5.251 -7.761 7.689 1.00 0.00 N ATOM 924 CA ARG A 749 -6.517 -7.577 6.992 1.00 0.00 C ATOM 925 C ARG A 749 -6.303 -7.513 5.482 1.00 0.00 C ATOM 926 O ARG A 749 -7.199 -7.840 4.703 1.00 0.00 O ATOM 927 CB ARG A 749 -7.209 -6.300 7.474 1.00 0.00 C ATOM 928 CG ARG A 749 -7.963 -6.473 8.783 1.00 0.00 C ATOM 929 CD ARG A 749 -8.665 -5.189 9.195 1.00 0.00 C ATOM 930 NE ARG A 749 -9.303 -4.526 8.061 1.00 0.00 N ATOM 931 CZ ARG A 749 -9.632 -3.239 8.053 1.00 0.00 C ATOM 932 NH1 ARG A 749 -9.385 -2.481 9.112 1.00 0.00 N ATOM 933 NH2 ARG A 749 -10.209 -2.707 6.983 1.00 0.00 N ATOM 0 H ARG A 749 -5.093 -7.108 8.457 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.153 -8.433 7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.462 -5.516 7.596 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -7.904 -5.961 6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.696 -7.273 8.679 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.269 -6.777 9.567 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -9.416 -5.413 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -7.943 -4.512 9.652 1.00 0.00 H new ATOM 0 HE ARG A 749 -9.507 -5.081 7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -8.941 -2.886 9.936 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -9.639 -1.493 9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -10.400 -3.286 6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -10.461 -1.719 6.978 1.00 0.00 H new ATOM 947 N LEU A 750 -5.111 -7.088 5.077 1.00 0.00 N ATOM 948 CA LEU A 750 -4.778 -6.980 3.661 1.00 0.00 C ATOM 949 C LEU A 750 -4.342 -8.330 3.099 1.00 0.00 C ATOM 950 O LEU A 750 -3.476 -8.999 3.664 1.00 0.00 O ATOM 951 CB LEU A 750 -3.670 -5.947 3.455 1.00 0.00 C ATOM 952 CG LEU A 750 -3.928 -4.559 4.043 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.624 -3.790 4.187 1.00 0.00 C ATOM 954 CD2 LEU A 750 -4.912 -3.787 3.176 1.00 0.00 C ATOM 0 H LEU A 750 -4.359 -6.813 5.709 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.671 -6.657 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -2.750 -6.339 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.496 -5.839 2.384 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.366 -4.680 5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -2.827 -2.805 4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -1.951 -4.335 4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.158 -3.678 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.084 -2.802 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.502 -3.675 2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -5.856 -4.330 3.125 1.00 0.00 H new ATOM 966 N THR A 751 -4.946 -8.724 1.983 1.00 0.00 N ATOM 967 CA THR A 751 -4.620 -9.992 1.344 1.00 0.00 C ATOM 968 C THR A 751 -3.902 -9.771 0.017 1.00 0.00 C ATOM 969 O THR A 751 -4.534 -9.508 -1.007 1.00 0.00 O ATOM 970 CB THR A 751 -5.884 -10.838 1.096 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.664 -10.914 2.294 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.514 -12.240 0.635 1.00 0.00 C ATOM 0 H THR A 751 -5.664 -8.182 1.503 1.00 0.00 H new ATOM 0 HA THR A 751 -3.960 -10.529 2.026 1.00 0.00 H new ATOM 0 HB THR A 751 -6.469 -10.358 0.312 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.466 -11.452 2.128 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.422 -12.819 0.466 1.00 0.00 H new ATOM 0 HG22 THR A 751 -4.944 -12.180 -0.292 1.00 0.00 H new ATOM 0 HG23 THR A 751 -4.910 -12.727 1.401 1.00 0.00 H new ATOM 980 N THR A 752 -2.577 -9.880 0.041 1.00 0.00 N ATOM 981 CA THR A 752 -1.773 -9.692 -1.159 1.00 0.00 C ATOM 982 C THR A 752 -2.418 -10.366 -2.365 1.00 0.00 C ATOM 983 O THR A 752 -2.588 -11.585 -2.390 1.00 0.00 O ATOM 984 CB THR A 752 -0.349 -10.249 -0.975 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.407 -11.573 -0.431 1.00 0.00 O ATOM 986 CG2 THR A 752 0.468 -9.354 -0.056 1.00 0.00 C ATOM 0 H THR A 752 -2.038 -10.098 0.879 1.00 0.00 H new ATOM 0 HA THR A 752 -1.715 -8.618 -1.334 1.00 0.00 H new ATOM 0 HB THR A 752 0.134 -10.278 -1.952 1.00 0.00 H new ATOM 0 HG1 THR A 752 -1.092 -12.091 -0.903 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.470 -9.768 0.059 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.535 -8.355 -0.487 1.00 0.00 H new ATOM 0 HG23 THR A 752 -0.015 -9.297 0.920 1.00 0.00 H new ATOM 994 N VAL A 753 -2.776 -9.566 -3.364 1.00 0.00 N ATOM 995 CA VAL A 753 -3.401 -10.086 -4.574 1.00 0.00 C ATOM 996 C VAL A 753 -2.440 -10.981 -5.348 1.00 0.00 C ATOM 997 O VAL A 753 -2.811 -12.063 -5.801 1.00 0.00 O ATOM 998 CB VAL A 753 -3.878 -8.946 -5.494 1.00 0.00 C ATOM 999 CG1 VAL A 753 -4.410 -9.505 -6.805 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -4.936 -8.105 -4.795 1.00 0.00 C ATOM 0 H VAL A 753 -2.644 -8.555 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 753 -4.264 -10.672 -4.258 1.00 0.00 H new ATOM 0 HB VAL A 753 -3.027 -8.304 -5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -4.742 -8.685 -7.442 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.620 -10.060 -7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -5.249 -10.171 -6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -5.262 -7.304 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.789 -8.733 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -4.516 -7.674 -3.886 1.00 0.00 H new