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 180:sc= 0.00256 USER MOD Set 1.2: A 718 LYS NZ :NH3+ -139:sc= 0.649 (180deg=-0.492) USER MOD Single : A 703 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 708 GLN : amide:sc= -0.344 K(o=-0.34,f=-1.3) USER MOD Single : A 709 THR OG1 : rot 180:sc= 0 USER MOD Single : A 714 GLN : amide:sc= -0.344 K(o=-0.34,f=-3!) USER MOD Single : A 717 TYR OH : rot 180:sc= 0 USER MOD Single : A 720 TYR OH : rot 180:sc= 0 USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 728 THR OG1 : rot 180:sc= 0 USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 731 THR OG1 : rot 180:sc= -0.914 USER MOD Single : A 737 HIS : no HE2:sc= -1.05 K(o=-1.1,f=-4.4!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot 109:sc= -1.39 USER MOD Single : A 740 CYS SG : rot 180:sc= 0 USER MOD Single : A 741 GLN : amide:sc= -0.596 K(o=-0.6,f=-3.8!) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 35:sc= 0.331 USER MOD Single : A 748 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 751 THR OG1 : rot -170:sc= -0.096 USER MOD Single : A 752 THR OG1 : rot 45:sc= 0.0106 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 10.048 -1.100 3.459 1.00 0.00 N ATOM 217 CA ASN A 703 9.366 -0.480 2.328 1.00 0.00 C ATOM 218 C ASN A 703 9.334 -1.422 1.129 1.00 0.00 C ATOM 219 O ASN A 703 9.259 -0.980 -0.017 1.00 0.00 O ATOM 220 CB ASN A 703 10.058 0.830 1.945 1.00 0.00 C ATOM 221 CG ASN A 703 11.567 0.689 1.882 1.00 0.00 C ATOM 222 OD1 ASN A 703 12.268 0.959 2.857 1.00 0.00 O ATOM 223 ND2 ASN A 703 12.074 0.266 0.730 1.00 0.00 N ATOM 0 HA ASN A 703 8.340 -0.267 2.626 1.00 0.00 H new ATOM 0 HB2 ASN A 703 9.686 1.165 0.977 1.00 0.00 H new ATOM 0 HB3 ASN A 703 9.798 1.601 2.670 1.00 0.00 H new ATOM 0 HD21 ASN A 703 13.083 0.153 0.627 1.00 0.00 H new ATOM 0 HD22 ASN A 703 11.455 0.054 -0.052 1.00 0.00 H new ATOM 230 N GLU A 704 9.392 -2.721 1.402 1.00 0.00 N ATOM 231 CA GLU A 704 9.370 -3.725 0.345 1.00 0.00 C ATOM 232 C GLU A 704 7.955 -3.916 -0.196 1.00 0.00 C ATOM 233 O GLU A 704 7.714 -3.784 -1.396 1.00 0.00 O ATOM 234 CB GLU A 704 9.912 -5.058 0.865 1.00 0.00 C ATOM 235 CG GLU A 704 10.214 -6.063 -0.234 1.00 0.00 C ATOM 236 CD GLU A 704 11.274 -7.069 0.170 1.00 0.00 C ATOM 237 OE1 GLU A 704 12.467 -6.702 0.182 1.00 0.00 O ATOM 238 OE2 GLU A 704 10.909 -8.224 0.476 1.00 0.00 O ATOM 0 H GLU A 704 9.455 -3.103 2.346 1.00 0.00 H new ATOM 0 HA GLU A 704 10.007 -3.373 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 704 10.822 -4.873 1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 704 9.186 -5.492 1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 704 9.299 -6.592 -0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 704 10.544 -5.531 -1.126 1.00 0.00 H new ATOM 245 N LEU A 705 7.023 -4.226 0.699 1.00 0.00 N ATOM 246 CA LEU A 705 5.632 -4.435 0.314 1.00 0.00 C ATOM 247 C LEU A 705 5.037 -3.165 -0.287 1.00 0.00 C ATOM 248 O LEU A 705 3.974 -3.200 -0.907 1.00 0.00 O ATOM 249 CB LEU A 705 4.807 -4.875 1.525 1.00 0.00 C ATOM 250 CG LEU A 705 3.294 -4.940 1.318 1.00 0.00 C ATOM 251 CD1 LEU A 705 2.948 -5.923 0.210 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.595 -5.326 2.613 1.00 0.00 C ATOM 0 H LEU A 705 7.206 -4.338 1.696 1.00 0.00 H new ATOM 0 HA LEU A 705 5.604 -5.220 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 705 5.154 -5.860 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 705 5.012 -4.190 2.348 1.00 0.00 H new ATOM 0 HG LEU A 705 2.945 -3.951 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.867 -5.956 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.418 -5.603 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 705 3.311 -6.915 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.519 -5.367 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.950 -6.303 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.815 -4.584 3.381 1.00 0.00 H new ATOM 264 N ILE A 706 5.730 -2.047 -0.101 1.00 0.00 N ATOM 265 CA ILE A 706 5.272 -0.768 -0.628 1.00 0.00 C ATOM 266 C ILE A 706 5.257 -0.775 -2.153 1.00 0.00 C ATOM 267 O ILE A 706 6.307 -0.733 -2.794 1.00 0.00 O ATOM 268 CB ILE A 706 6.158 0.392 -0.139 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.876 0.693 1.335 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.927 1.631 -0.991 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.544 -0.538 2.149 1.00 0.00 C ATOM 0 H ILE A 706 6.611 -2.001 0.411 1.00 0.00 H new ATOM 0 HA ILE A 706 4.257 -0.620 -0.258 1.00 0.00 H new ATOM 0 HB ILE A 706 7.203 0.097 -0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.747 1.183 1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 706 5.047 1.398 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.561 2.442 -0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 706 6.173 1.410 -2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.881 1.930 -0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 706 5.356 -0.250 3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.655 -1.017 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.381 -1.235 2.113 1.00 0.00 H new ATOM 283 N GLY A 707 4.060 -0.825 -2.728 1.00 0.00 N ATOM 284 CA GLY A 707 3.931 -0.834 -4.173 1.00 0.00 C ATOM 285 C GLY A 707 3.196 -2.059 -4.682 1.00 0.00 C ATOM 286 O GLY A 707 2.745 -2.088 -5.827 1.00 0.00 O ATOM 0 H GLY A 707 3.177 -0.859 -2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.401 0.063 -4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.923 -0.796 -4.624 1.00 0.00 H new ATOM 290 N GLN A 708 3.077 -3.072 -3.831 1.00 0.00 N ATOM 291 CA GLN A 708 2.394 -4.306 -4.202 1.00 0.00 C ATOM 292 C GLN A 708 0.883 -4.104 -4.231 1.00 0.00 C ATOM 293 O GLN A 708 0.351 -3.214 -3.565 1.00 0.00 O ATOM 294 CB GLN A 708 2.753 -5.426 -3.225 1.00 0.00 C ATOM 295 CG GLN A 708 4.249 -5.588 -3.006 1.00 0.00 C ATOM 296 CD GLN A 708 5.030 -5.606 -4.305 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.543 -6.087 -5.329 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.249 -5.080 -4.271 1.00 0.00 N ATOM 0 H GLN A 708 3.445 -3.063 -2.880 1.00 0.00 H new ATOM 0 HA GLN A 708 2.723 -4.588 -5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.274 -5.228 -2.266 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.345 -6.366 -3.597 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.611 -4.773 -2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.435 -6.514 -2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.613 -4.692 -3.401 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.821 -5.064 -5.115 1.00 0.00 H new ATOM 307 N THR A 709 0.194 -4.936 -5.006 1.00 0.00 N ATOM 308 CA THR A 709 -1.256 -4.848 -5.122 1.00 0.00 C ATOM 309 C THR A 709 -1.945 -5.758 -4.112 1.00 0.00 C ATOM 310 O THR A 709 -1.894 -6.982 -4.228 1.00 0.00 O ATOM 311 CB THR A 709 -1.730 -5.222 -6.539 1.00 0.00 C ATOM 312 OG1 THR A 709 -1.228 -4.275 -7.489 1.00 0.00 O ATOM 313 CG2 THR A 709 -3.249 -5.263 -6.609 1.00 0.00 C ATOM 0 H THR A 709 0.617 -5.679 -5.563 1.00 0.00 H new ATOM 0 HA THR A 709 -1.527 -3.812 -4.918 1.00 0.00 H new ATOM 0 HB THR A 709 -1.345 -6.214 -6.777 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.532 -4.521 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.560 -5.529 -7.619 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.626 -6.006 -5.906 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.652 -4.283 -6.352 1.00 0.00 H new ATOM 321 N VAL A 710 -2.591 -5.152 -3.120 1.00 0.00 N ATOM 322 CA VAL A 710 -3.292 -5.908 -2.090 1.00 0.00 C ATOM 323 C VAL A 710 -4.798 -5.688 -2.177 1.00 0.00 C ATOM 324 O VAL A 710 -5.261 -4.728 -2.791 1.00 0.00 O ATOM 325 CB VAL A 710 -2.808 -5.518 -0.680 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.330 -5.839 -0.516 1.00 0.00 C ATOM 327 CG2 VAL A 710 -3.075 -4.045 -0.414 1.00 0.00 C ATOM 0 H VAL A 710 -2.643 -4.139 -3.009 1.00 0.00 H new ATOM 0 HA VAL A 710 -3.070 -6.961 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.366 -6.102 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -1.005 -5.557 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.171 -6.908 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.753 -5.283 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.727 -3.787 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.545 -3.440 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.145 -3.850 -0.487 1.00 0.00 H new ATOM 337 N ARG A 711 -5.558 -6.585 -1.556 1.00 0.00 N ATOM 338 CA ARG A 711 -7.013 -6.491 -1.564 1.00 0.00 C ATOM 339 C ARG A 711 -7.573 -6.613 -0.150 1.00 0.00 C ATOM 340 O ARG A 711 -7.404 -7.640 0.508 1.00 0.00 O ATOM 341 CB ARG A 711 -7.611 -7.579 -2.457 1.00 0.00 C ATOM 342 CG ARG A 711 -9.131 -7.563 -2.502 1.00 0.00 C ATOM 343 CD ARG A 711 -9.674 -8.670 -3.391 1.00 0.00 C ATOM 344 NE ARG A 711 -11.036 -9.047 -3.026 1.00 0.00 N ATOM 345 CZ ARG A 711 -11.359 -9.600 -1.862 1.00 0.00 C ATOM 346 NH1 ARG A 711 -10.421 -9.840 -0.956 1.00 0.00 N ATOM 347 NH2 ARG A 711 -12.621 -9.915 -1.603 1.00 0.00 N ATOM 0 H ARG A 711 -5.190 -7.385 -1.041 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.287 -5.514 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -7.225 -7.459 -3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -7.277 -8.554 -2.101 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.527 -7.678 -1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.475 -6.597 -2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -9.655 -8.342 -4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -9.025 -9.543 -3.320 1.00 0.00 H new ATOM 0 HE ARG A 711 -11.781 -8.877 -3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -9.449 -9.600 -1.152 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -10.671 -10.265 -0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -13.345 -9.733 -2.298 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -12.867 -10.340 -0.709 1.00 0.00 H new ATOM 361 N ILE A 712 -8.239 -5.559 0.310 1.00 0.00 N ATOM 362 CA ILE A 712 -8.824 -5.549 1.645 1.00 0.00 C ATOM 363 C ILE A 712 -9.890 -6.630 1.786 1.00 0.00 C ATOM 364 O ILE A 712 -10.957 -6.547 1.178 1.00 0.00 O ATOM 365 CB ILE A 712 -9.450 -4.181 1.975 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.392 -3.079 1.892 1.00 0.00 C ATOM 367 CG2 ILE A 712 -10.085 -4.209 3.357 1.00 0.00 C ATOM 368 CD1 ILE A 712 -8.964 -1.716 1.571 1.00 0.00 C ATOM 0 H ILE A 712 -8.387 -4.701 -0.222 1.00 0.00 H new ATOM 0 HA ILE A 712 -8.013 -5.747 2.346 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.229 -3.968 1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -7.859 -3.026 2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.660 -3.346 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.523 -3.235 3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -10.863 -4.972 3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.324 -4.440 4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -8.158 -0.984 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.473 -1.753 0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.674 -1.428 2.346 1.00 0.00 H new ATOM 380 N SER A 713 -9.594 -7.644 2.594 1.00 0.00 N ATOM 381 CA SER A 713 -10.526 -8.743 2.814 1.00 0.00 C ATOM 382 C SER A 713 -11.140 -8.665 4.209 1.00 0.00 C ATOM 383 O SER A 713 -11.675 -9.648 4.718 1.00 0.00 O ATOM 384 CB SER A 713 -9.816 -10.086 2.631 1.00 0.00 C ATOM 385 OG SER A 713 -10.714 -11.078 2.165 1.00 0.00 O ATOM 0 H SER A 713 -8.716 -7.727 3.107 1.00 0.00 H new ATOM 0 HA SER A 713 -11.327 -8.660 2.079 1.00 0.00 H new ATOM 0 HB2 SER A 713 -8.995 -9.973 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 713 -9.379 -10.402 3.578 1.00 0.00 H new ATOM 0 HG SER A 713 -10.236 -11.926 2.055 1.00 0.00 H new ATOM 391 N GLN A 714 -11.056 -7.487 4.819 1.00 0.00 N ATOM 392 CA GLN A 714 -11.602 -7.279 6.155 1.00 0.00 C ATOM 393 C GLN A 714 -11.984 -5.818 6.366 1.00 0.00 C ATOM 394 O GLN A 714 -11.194 -4.914 6.095 1.00 0.00 O ATOM 395 CB GLN A 714 -10.589 -7.713 7.216 1.00 0.00 C ATOM 396 CG GLN A 714 -10.529 -9.218 7.422 1.00 0.00 C ATOM 397 CD GLN A 714 -10.117 -9.598 8.830 1.00 0.00 C ATOM 398 OE1 GLN A 714 -10.150 -8.773 9.743 1.00 0.00 O ATOM 399 NE2 GLN A 714 -9.725 -10.854 9.014 1.00 0.00 N ATOM 0 H GLN A 714 -10.616 -6.663 4.410 1.00 0.00 H new ATOM 0 HA GLN A 714 -12.501 -7.887 6.251 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -9.600 -7.354 6.930 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -10.840 -7.235 8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -11.506 -9.650 7.204 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -9.824 -9.650 6.712 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -9.713 -11.505 8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -9.436 -11.167 9.941 1.00 0.00 H new ATOM 408 N GLY A 715 -13.201 -5.594 6.852 1.00 0.00 N ATOM 409 CA GLY A 715 -13.666 -4.240 7.091 1.00 0.00 C ATOM 410 C GLY A 715 -14.742 -3.815 6.110 1.00 0.00 C ATOM 411 O GLY A 715 -15.248 -4.617 5.326 1.00 0.00 O ATOM 0 H GLY A 715 -13.873 -6.325 7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -14.055 -4.167 8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.823 -3.552 7.022 1.00 0.00 H new ATOM 415 N PRO A 716 -15.107 -2.525 6.149 1.00 0.00 N ATOM 416 CA PRO A 716 -16.133 -1.966 5.264 1.00 0.00 C ATOM 417 C PRO A 716 -15.671 -1.893 3.813 1.00 0.00 C ATOM 418 O PRO A 716 -16.487 -1.804 2.895 1.00 0.00 O ATOM 419 CB PRO A 716 -16.357 -0.559 5.825 1.00 0.00 C ATOM 420 CG PRO A 716 -15.080 -0.218 6.512 1.00 0.00 C ATOM 421 CD PRO A 716 -14.545 -1.512 7.058 1.00 0.00 C ATOM 0 HA PRO A 716 -17.033 -2.581 5.245 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.582 0.153 5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -17.198 -0.538 6.519 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -14.372 0.235 5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -15.248 0.503 7.312 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.455 -1.529 7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -14.863 -1.676 8.088 1.00 0.00 H new ATOM 429 N TYR A 717 -14.358 -1.932 3.612 1.00 0.00 N ATOM 430 CA TYR A 717 -13.788 -1.869 2.272 1.00 0.00 C ATOM 431 C TYR A 717 -13.407 -3.261 1.776 1.00 0.00 C ATOM 432 O TYR A 717 -12.457 -3.422 1.010 1.00 0.00 O ATOM 433 CB TYR A 717 -12.559 -0.958 2.261 1.00 0.00 C ATOM 434 CG TYR A 717 -12.842 0.446 2.747 1.00 0.00 C ATOM 435 CD1 TYR A 717 -12.829 0.748 4.103 1.00 0.00 C ATOM 436 CD2 TYR A 717 -13.123 1.469 1.850 1.00 0.00 C ATOM 437 CE1 TYR A 717 -13.088 2.029 4.552 1.00 0.00 C ATOM 438 CE2 TYR A 717 -13.382 2.753 2.290 1.00 0.00 C ATOM 439 CZ TYR A 717 -13.363 3.028 3.642 1.00 0.00 C ATOM 440 OH TYR A 717 -13.621 4.305 4.084 1.00 0.00 O ATOM 0 H TYR A 717 -13.669 -2.007 4.360 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.543 -1.458 1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.783 -1.401 2.886 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -12.162 -0.909 1.247 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -12.613 -0.032 4.818 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -13.139 1.257 0.791 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -13.075 2.247 5.610 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -13.598 3.537 1.579 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.794 4.888 3.316 1.00 0.00 H new ATOM 450 N LYS A 718 -14.157 -4.265 2.218 1.00 0.00 N ATOM 451 CA LYS A 718 -13.902 -5.644 1.819 1.00 0.00 C ATOM 452 C LYS A 718 -14.132 -5.829 0.322 1.00 0.00 C ATOM 453 O LYS A 718 -15.141 -5.380 -0.221 1.00 0.00 O ATOM 454 CB LYS A 718 -14.802 -6.599 2.606 1.00 0.00 C ATOM 455 CG LYS A 718 -14.766 -8.029 2.095 1.00 0.00 C ATOM 456 CD LYS A 718 -15.422 -8.988 3.074 1.00 0.00 C ATOM 457 CE LYS A 718 -14.985 -10.423 2.826 1.00 0.00 C ATOM 458 NZ LYS A 718 -13.745 -10.764 3.577 1.00 0.00 N ATOM 0 H LYS A 718 -14.947 -4.149 2.853 1.00 0.00 H new ATOM 0 HA LYS A 718 -12.859 -5.873 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.500 -6.589 3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -15.828 -6.234 2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.275 -8.085 1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -13.732 -8.330 1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.167 -8.700 4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -16.506 -8.916 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -15.785 -11.102 3.120 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -14.816 -10.572 1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -13.119 -11.333 2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -13.256 -9.889 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -13.993 -11.308 4.428 1.00 0.00 H new ATOM 472 N GLY A 719 -13.189 -6.493 -0.340 1.00 0.00 N ATOM 473 CA GLY A 719 -13.309 -6.727 -1.767 1.00 0.00 C ATOM 474 C GLY A 719 -12.799 -5.561 -2.590 1.00 0.00 C ATOM 475 O GLY A 719 -13.201 -5.381 -3.740 1.00 0.00 O ATOM 0 H GLY A 719 -12.344 -6.873 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.753 -7.626 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.354 -6.913 -2.015 1.00 0.00 H new ATOM 479 N TYR A 720 -11.912 -4.766 -2.001 1.00 0.00 N ATOM 480 CA TYR A 720 -11.349 -3.609 -2.686 1.00 0.00 C ATOM 481 C TYR A 720 -9.845 -3.771 -2.882 1.00 0.00 C ATOM 482 O TYR A 720 -9.151 -4.318 -2.025 1.00 0.00 O ATOM 483 CB TYR A 720 -11.637 -2.332 -1.894 1.00 0.00 C ATOM 484 CG TYR A 720 -12.975 -1.706 -2.220 1.00 0.00 C ATOM 485 CD1 TYR A 720 -13.100 -0.785 -3.253 1.00 0.00 C ATOM 486 CD2 TYR A 720 -14.113 -2.035 -1.494 1.00 0.00 C ATOM 487 CE1 TYR A 720 -14.319 -0.210 -3.554 1.00 0.00 C ATOM 488 CE2 TYR A 720 -15.337 -1.466 -1.789 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.435 -0.554 -2.819 1.00 0.00 C ATOM 490 OH TYR A 720 -16.652 0.015 -3.115 1.00 0.00 O ATOM 0 H TYR A 720 -11.568 -4.902 -1.051 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.819 -3.534 -3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.602 -2.559 -0.829 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.848 -1.606 -2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -12.229 -0.514 -3.831 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -14.040 -2.747 -0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -14.398 0.505 -4.360 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -16.212 -1.734 -1.216 1.00 0.00 H new ATOM 0 HH TYR A 720 -17.334 -0.335 -2.505 1.00 0.00 H new ATOM 500 N ILE A 721 -9.348 -3.290 -4.017 1.00 0.00 N ATOM 501 CA ILE A 721 -7.927 -3.379 -4.326 1.00 0.00 C ATOM 502 C ILE A 721 -7.208 -2.077 -3.990 1.00 0.00 C ATOM 503 O ILE A 721 -7.837 -1.031 -3.832 1.00 0.00 O ATOM 504 CB ILE A 721 -7.694 -3.712 -5.812 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.403 -5.017 -6.182 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.204 -3.811 -6.105 1.00 0.00 C ATOM 507 CD1 ILE A 721 -7.866 -6.225 -5.448 1.00 0.00 C ATOM 0 H ILE A 721 -9.909 -2.835 -4.737 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.521 -4.184 -3.713 1.00 0.00 H new ATOM 0 HB ILE A 721 -8.112 -2.909 -6.419 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.467 -4.916 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.307 -5.182 -7.255 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -6.055 -4.047 -7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.724 -2.860 -5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.764 -4.597 -5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.415 -7.114 -5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -6.809 -6.352 -5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -7.987 -6.082 -4.374 1.00 0.00 H new ATOM 519 N GLY A 722 -5.885 -2.147 -3.884 1.00 0.00 N ATOM 520 CA GLY A 722 -5.102 -0.967 -3.570 1.00 0.00 C ATOM 521 C GLY A 722 -3.621 -1.268 -3.452 1.00 0.00 C ATOM 522 O GLY A 722 -3.232 -2.390 -3.127 1.00 0.00 O ATOM 0 H GLY A 722 -5.341 -3.001 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.256 -0.216 -4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.458 -0.537 -2.634 1.00 0.00 H new ATOM 526 N VAL A 723 -2.791 -0.264 -3.718 1.00 0.00 N ATOM 527 CA VAL A 723 -1.344 -0.427 -3.641 1.00 0.00 C ATOM 528 C VAL A 723 -0.805 0.074 -2.306 1.00 0.00 C ATOM 529 O VAL A 723 -1.108 1.189 -1.881 1.00 0.00 O ATOM 530 CB VAL A 723 -0.634 0.324 -4.783 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.862 0.407 -4.518 1.00 0.00 C ATOM 532 CG2 VAL A 723 -0.909 -0.353 -6.117 1.00 0.00 C ATOM 0 H VAL A 723 -3.096 0.671 -3.989 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.140 -1.494 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.029 1.339 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.347 0.941 -5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 723 1.037 0.939 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.275 -0.599 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.400 0.191 -6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.543 -1.379 -6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -1.982 -0.356 -6.309 1.00 0.00 H new ATOM 542 N VAL A 724 -0.004 -0.757 -1.648 1.00 0.00 N ATOM 543 CA VAL A 724 0.579 -0.399 -0.361 1.00 0.00 C ATOM 544 C VAL A 724 1.540 0.777 -0.501 1.00 0.00 C ATOM 545 O VAL A 724 2.629 0.640 -1.059 1.00 0.00 O ATOM 546 CB VAL A 724 1.330 -1.589 0.267 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.870 -1.216 1.639 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.420 -2.805 0.354 1.00 0.00 C ATOM 0 H VAL A 724 0.256 -1.684 -1.985 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.247 -0.115 0.292 1.00 0.00 H new ATOM 0 HB VAL A 724 2.176 -1.842 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.397 -2.069 2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.557 -0.375 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 724 1.043 -0.936 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 724 0.966 -3.637 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.447 -2.567 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.088 -3.083 -0.646 1.00 0.00 H new ATOM 558 N LYS A 725 1.130 1.933 0.009 1.00 0.00 N ATOM 559 CA LYS A 725 1.954 3.134 -0.057 1.00 0.00 C ATOM 560 C LYS A 725 2.936 3.185 1.109 1.00 0.00 C ATOM 561 O LYS A 725 4.094 3.568 0.941 1.00 0.00 O ATOM 562 CB LYS A 725 1.071 4.384 -0.049 1.00 0.00 C ATOM 563 CG LYS A 725 -0.063 4.334 -1.058 1.00 0.00 C ATOM 564 CD LYS A 725 0.356 4.916 -2.397 1.00 0.00 C ATOM 565 CE LYS A 725 0.936 3.848 -3.312 1.00 0.00 C ATOM 566 NZ LYS A 725 1.388 4.417 -4.612 1.00 0.00 N ATOM 0 H LYS A 725 0.231 2.064 0.473 1.00 0.00 H new ATOM 0 HA LYS A 725 2.522 3.104 -0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.653 4.517 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 725 1.690 5.257 -0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.385 3.302 -1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -0.919 4.887 -0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 725 -0.505 5.381 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 725 1.095 5.701 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 725 1.777 3.362 -2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 725 0.185 3.079 -3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 1.777 3.658 -5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 0.581 4.858 -5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 2.123 5.133 -4.441 1.00 0.00 H new ATOM 580 N ASP A 726 2.467 2.795 2.289 1.00 0.00 N ATOM 581 CA ASP A 726 3.305 2.794 3.483 1.00 0.00 C ATOM 582 C ASP A 726 3.003 1.581 4.357 1.00 0.00 C ATOM 583 O ASP A 726 1.862 1.125 4.431 1.00 0.00 O ATOM 584 CB ASP A 726 3.092 4.080 4.282 1.00 0.00 C ATOM 585 CG ASP A 726 4.333 4.498 5.047 1.00 0.00 C ATOM 586 OD1 ASP A 726 4.500 4.047 6.200 1.00 0.00 O ATOM 587 OD2 ASP A 726 5.137 5.276 4.492 1.00 0.00 O ATOM 0 H ASP A 726 1.511 2.475 2.445 1.00 0.00 H new ATOM 0 HA ASP A 726 4.347 2.741 3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.799 4.882 3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.268 3.938 4.981 1.00 0.00 H new ATOM 592 N ALA A 727 4.033 1.063 5.017 1.00 0.00 N ATOM 593 CA ALA A 727 3.878 -0.097 5.887 1.00 0.00 C ATOM 594 C ALA A 727 3.956 0.305 7.356 1.00 0.00 C ATOM 595 O ALA A 727 4.971 0.829 7.815 1.00 0.00 O ATOM 596 CB ALA A 727 4.937 -1.142 5.567 1.00 0.00 C ATOM 0 H ALA A 727 4.984 1.428 4.966 1.00 0.00 H new ATOM 0 HA ALA A 727 2.893 -0.527 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.809 -2.002 6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.833 -1.459 4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.928 -0.714 5.718 1.00 0.00 H new ATOM 602 N THR A 728 2.875 0.056 8.090 1.00 0.00 N ATOM 603 CA THR A 728 2.820 0.394 9.507 1.00 0.00 C ATOM 604 C THR A 728 2.935 -0.854 10.375 1.00 0.00 C ATOM 605 O THR A 728 2.632 -1.960 9.929 1.00 0.00 O ATOM 606 CB THR A 728 1.514 1.131 9.858 1.00 0.00 C ATOM 607 OG1 THR A 728 1.069 1.901 8.736 1.00 0.00 O ATOM 608 CG2 THR A 728 1.714 2.043 11.059 1.00 0.00 C ATOM 0 H THR A 728 2.027 -0.378 7.726 1.00 0.00 H new ATOM 0 HA THR A 728 3.665 1.052 9.708 1.00 0.00 H new ATOM 0 HB THR A 728 0.758 0.387 10.109 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.237 2.365 8.967 1.00 0.00 H new ATOM 0 HG21 THR A 728 0.778 2.553 11.288 1.00 0.00 H new ATOM 0 HG22 THR A 728 2.024 1.449 11.919 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.483 2.781 10.831 1.00 0.00 H new ATOM 616 N GLU A 729 3.374 -0.669 11.616 1.00 0.00 N ATOM 617 CA GLU A 729 3.528 -1.782 12.545 1.00 0.00 C ATOM 618 C GLU A 729 2.343 -2.738 12.450 1.00 0.00 C ATOM 619 O GLU A 729 2.454 -3.826 11.886 1.00 0.00 O ATOM 620 CB GLU A 729 3.666 -1.263 13.978 1.00 0.00 C ATOM 621 CG GLU A 729 3.868 -2.363 15.007 1.00 0.00 C ATOM 622 CD GLU A 729 4.640 -1.890 16.223 1.00 0.00 C ATOM 623 OE1 GLU A 729 4.466 -0.718 16.617 1.00 0.00 O ATOM 624 OE2 GLU A 729 5.419 -2.691 16.780 1.00 0.00 O ATOM 0 H GLU A 729 3.629 0.240 12.001 1.00 0.00 H new ATOM 0 HA GLU A 729 4.433 -2.326 12.274 1.00 0.00 H new ATOM 0 HB2 GLU A 729 4.508 -0.573 14.026 1.00 0.00 H new ATOM 0 HB3 GLU A 729 2.773 -0.694 14.237 1.00 0.00 H new ATOM 0 HG2 GLU A 729 2.896 -2.742 15.323 1.00 0.00 H new ATOM 0 HG3 GLU A 729 4.400 -3.195 14.545 1.00 0.00 H new ATOM 631 N SER A 730 1.210 -2.324 13.007 1.00 0.00 N ATOM 632 CA SER A 730 0.005 -3.144 12.990 1.00 0.00 C ATOM 633 C SER A 730 -0.987 -2.632 11.950 1.00 0.00 C ATOM 634 O SER A 730 -2.179 -2.934 12.009 1.00 0.00 O ATOM 635 CB SER A 730 -0.650 -3.156 14.373 1.00 0.00 C ATOM 636 OG SER A 730 0.140 -3.873 15.305 1.00 0.00 O ATOM 0 H SER A 730 1.101 -1.425 13.476 1.00 0.00 H new ATOM 0 HA SER A 730 0.292 -4.161 12.723 1.00 0.00 H new ATOM 0 HB2 SER A 730 -0.790 -2.133 14.721 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.640 -3.608 14.306 1.00 0.00 H new ATOM 0 HG SER A 730 -0.299 -3.865 16.181 1.00 0.00 H new ATOM 642 N THR A 731 -0.485 -1.854 10.996 1.00 0.00 N ATOM 643 CA THR A 731 -1.325 -1.297 9.943 1.00 0.00 C ATOM 644 C THR A 731 -0.527 -1.077 8.662 1.00 0.00 C ATOM 645 O THR A 731 0.692 -1.243 8.643 1.00 0.00 O ATOM 646 CB THR A 731 -1.958 0.038 10.376 1.00 0.00 C ATOM 647 OG1 THR A 731 -1.105 0.704 11.313 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.326 -0.189 11.001 1.00 0.00 C ATOM 0 H THR A 731 0.500 -1.595 10.931 1.00 0.00 H new ATOM 0 HA THR A 731 -2.117 -2.021 9.755 1.00 0.00 H new ATOM 0 HB THR A 731 -2.080 0.661 9.490 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.514 1.553 11.582 1.00 0.00 H new ATOM 0 HG21 THR A 731 -3.753 0.768 11.299 1.00 0.00 H new ATOM 0 HG22 THR A 731 -3.982 -0.669 10.275 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.224 -0.829 11.877 1.00 0.00 H new ATOM 656 N ALA A 732 -1.223 -0.701 7.594 1.00 0.00 N ATOM 657 CA ALA A 732 -0.578 -0.455 6.310 1.00 0.00 C ATOM 658 C ALA A 732 -1.363 0.561 5.488 1.00 0.00 C ATOM 659 O ALA A 732 -2.544 0.364 5.202 1.00 0.00 O ATOM 660 CB ALA A 732 -0.427 -1.757 5.538 1.00 0.00 C ATOM 0 H ALA A 732 -2.233 -0.560 7.593 1.00 0.00 H new ATOM 0 HA ALA A 732 0.412 -0.042 6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 732 0.056 -1.559 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 732 0.182 -2.453 6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.411 -2.193 5.364 1.00 0.00 H new ATOM 666 N ARG A 733 -0.700 1.650 5.111 1.00 0.00 N ATOM 667 CA ARG A 733 -1.336 2.698 4.323 1.00 0.00 C ATOM 668 C ARG A 733 -1.439 2.290 2.857 1.00 0.00 C ATOM 669 O ARG A 733 -0.477 2.409 2.099 1.00 0.00 O ATOM 670 CB ARG A 733 -0.551 4.005 4.446 1.00 0.00 C ATOM 671 CG ARG A 733 -0.297 4.431 5.883 1.00 0.00 C ATOM 672 CD ARG A 733 -1.599 4.618 6.647 1.00 0.00 C ATOM 673 NE ARG A 733 -1.478 5.629 7.693 1.00 0.00 N ATOM 674 CZ ARG A 733 -1.211 6.908 7.453 1.00 0.00 C ATOM 675 NH1 ARG A 733 -1.038 7.329 6.207 1.00 0.00 N ATOM 676 NH2 ARG A 733 -1.118 7.768 8.458 1.00 0.00 N ATOM 0 H ARG A 733 0.278 1.829 5.339 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.343 2.849 4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.405 3.894 3.935 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -1.097 4.796 3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 733 0.315 3.681 6.383 1.00 0.00 H new ATOM 0 HG3 ARG A 733 0.269 5.362 5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -2.388 4.907 5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -1.898 3.669 7.093 1.00 0.00 H new ATOM 0 HE ARG A 733 -1.606 5.337 8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 733 -1.110 6.670 5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 733 -0.833 8.311 6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -1.252 7.448 9.417 1.00 0.00 H new ATOM 0 HH22 ARG A 733 -0.913 8.750 8.272 1.00 0.00 H new ATOM 690 N VAL A 734 -2.614 1.806 2.464 1.00 0.00 N ATOM 691 CA VAL A 734 -2.843 1.380 1.088 1.00 0.00 C ATOM 692 C VAL A 734 -3.679 2.403 0.328 1.00 0.00 C ATOM 693 O VAL A 734 -4.601 3.001 0.884 1.00 0.00 O ATOM 694 CB VAL A 734 -3.551 0.013 1.035 1.00 0.00 C ATOM 695 CG1 VAL A 734 -3.771 -0.418 -0.407 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.749 -1.032 1.796 1.00 0.00 C ATOM 0 H VAL A 734 -3.421 1.699 3.079 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.864 1.293 0.616 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.526 0.109 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.272 -1.386 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.389 0.321 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -2.809 -0.498 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -3.264 -1.992 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.760 -1.128 1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.648 -0.726 2.837 1.00 0.00 H new ATOM 706 N GLU A 735 -3.352 2.599 -0.945 1.00 0.00 N ATOM 707 CA GLU A 735 -4.074 3.551 -1.781 1.00 0.00 C ATOM 708 C GLU A 735 -5.013 2.828 -2.743 1.00 0.00 C ATOM 709 O GLU A 735 -4.574 2.236 -3.730 1.00 0.00 O ATOM 710 CB GLU A 735 -3.091 4.420 -2.568 1.00 0.00 C ATOM 711 CG GLU A 735 -3.755 5.283 -3.628 1.00 0.00 C ATOM 712 CD GLU A 735 -2.755 5.910 -4.580 1.00 0.00 C ATOM 713 OE1 GLU A 735 -2.101 6.898 -4.185 1.00 0.00 O ATOM 714 OE2 GLU A 735 -2.627 5.415 -5.719 1.00 0.00 O ATOM 0 H GLU A 735 -2.592 2.112 -1.420 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.671 4.189 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.551 5.064 -1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.352 3.777 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -4.460 4.676 -4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -4.331 6.070 -3.142 1.00 0.00 H new ATOM 721 N LEU A 736 -6.307 2.879 -2.447 1.00 0.00 N ATOM 722 CA LEU A 736 -7.309 2.229 -3.284 1.00 0.00 C ATOM 723 C LEU A 736 -7.118 2.602 -4.751 1.00 0.00 C ATOM 724 O LEU A 736 -6.520 3.630 -5.068 1.00 0.00 O ATOM 725 CB LEU A 736 -8.716 2.620 -2.826 1.00 0.00 C ATOM 726 CG LEU A 736 -9.200 1.978 -1.525 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.481 2.643 -1.046 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.412 0.483 -1.715 1.00 0.00 C ATOM 0 H LEU A 736 -6.687 3.364 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.187 1.151 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.750 3.703 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.419 2.363 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.433 2.122 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.810 2.173 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.297 3.703 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.255 2.530 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.756 0.043 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.159 0.317 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.472 0.017 -2.011 1.00 0.00 H new ATOM 740 N HIS A 737 -7.633 1.760 -5.642 1.00 0.00 N ATOM 741 CA HIS A 737 -7.521 2.002 -7.076 1.00 0.00 C ATOM 742 C HIS A 737 -8.692 2.842 -7.577 1.00 0.00 C ATOM 743 O HIS A 737 -8.499 3.919 -8.141 1.00 0.00 O ATOM 744 CB HIS A 737 -7.468 0.676 -7.836 1.00 0.00 C ATOM 745 CG HIS A 737 -6.101 0.064 -7.876 1.00 0.00 C ATOM 746 ND1 HIS A 737 -5.714 -0.851 -8.833 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.028 0.240 -7.070 1.00 0.00 C ATOM 748 CE1 HIS A 737 -4.463 -1.211 -8.613 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.023 -0.563 -7.549 1.00 0.00 N ATOM 0 H HIS A 737 -8.132 0.905 -5.396 1.00 0.00 H new ATOM 0 HA HIS A 737 -6.597 2.552 -7.256 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.159 -0.028 -7.372 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -7.815 0.837 -8.857 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.302 -1.195 -9.592 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -4.973 0.891 -6.210 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -3.896 -1.916 -9.203 1.00 0.00 H new ATOM 757 N SER A 738 -9.905 2.343 -7.368 1.00 0.00 N ATOM 758 CA SER A 738 -11.107 3.045 -7.803 1.00 0.00 C ATOM 759 C SER A 738 -11.192 4.426 -7.160 1.00 0.00 C ATOM 760 O SER A 738 -11.020 5.447 -7.827 1.00 0.00 O ATOM 761 CB SER A 738 -12.354 2.230 -7.455 1.00 0.00 C ATOM 762 OG SER A 738 -13.496 2.734 -8.126 1.00 0.00 O ATOM 0 H SER A 738 -10.082 1.454 -6.900 1.00 0.00 H new ATOM 0 HA SER A 738 -11.054 3.169 -8.885 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.198 1.186 -7.729 1.00 0.00 H new ATOM 0 HB3 SER A 738 -12.520 2.256 -6.378 1.00 0.00 H new ATOM 0 HG SER A 738 -14.279 2.195 -7.888 1.00 0.00 H new ATOM 768 N THR A 739 -11.457 4.450 -5.858 1.00 0.00 N ATOM 769 CA THR A 739 -11.566 5.704 -5.123 1.00 0.00 C ATOM 770 C THR A 739 -10.281 6.517 -5.230 1.00 0.00 C ATOM 771 O THR A 739 -10.315 7.748 -5.270 1.00 0.00 O ATOM 772 CB THR A 739 -11.882 5.458 -3.636 1.00 0.00 C ATOM 773 OG1 THR A 739 -10.852 4.662 -3.041 1.00 0.00 O ATOM 774 CG2 THR A 739 -13.225 4.761 -3.476 1.00 0.00 C ATOM 0 H THR A 739 -11.600 3.615 -5.290 1.00 0.00 H new ATOM 0 HA THR A 739 -12.386 6.264 -5.573 1.00 0.00 H new ATOM 0 HB THR A 739 -11.930 6.424 -3.133 1.00 0.00 H new ATOM 0 HG1 THR A 739 -10.323 5.216 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.426 4.598 -2.417 1.00 0.00 H new ATOM 0 HG22 THR A 739 -14.011 5.383 -3.903 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.201 3.802 -3.993 1.00 0.00 H new ATOM 782 N CYS A 740 -9.149 5.823 -5.276 1.00 0.00 N ATOM 783 CA CYS A 740 -7.852 6.482 -5.378 1.00 0.00 C ATOM 784 C CYS A 740 -7.545 7.277 -4.113 1.00 0.00 C ATOM 785 O CYS A 740 -7.134 8.435 -4.181 1.00 0.00 O ATOM 786 CB CYS A 740 -7.821 7.406 -6.596 1.00 0.00 C ATOM 787 SG CYS A 740 -6.162 7.712 -7.249 1.00 0.00 S ATOM 0 H CYS A 740 -9.103 4.805 -5.244 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.089 5.712 -5.495 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -8.436 6.971 -7.384 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -8.275 8.359 -6.327 1.00 0.00 H new ATOM 0 HG CYS A 740 -6.240 8.502 -8.278 1.00 0.00 H new ATOM 793 N GLN A 741 -7.748 6.646 -2.961 1.00 0.00 N ATOM 794 CA GLN A 741 -7.494 7.296 -1.680 1.00 0.00 C ATOM 795 C GLN A 741 -6.648 6.406 -0.776 1.00 0.00 C ATOM 796 O GLN A 741 -6.742 5.179 -0.830 1.00 0.00 O ATOM 797 CB GLN A 741 -8.815 7.639 -0.988 1.00 0.00 C ATOM 798 CG GLN A 741 -9.580 8.766 -1.661 1.00 0.00 C ATOM 799 CD GLN A 741 -8.940 10.122 -1.436 1.00 0.00 C ATOM 800 OE1 GLN A 741 -7.772 10.215 -1.058 1.00 0.00 O ATOM 801 NE2 GLN A 741 -9.703 11.184 -1.667 1.00 0.00 N ATOM 0 H GLN A 741 -8.087 5.687 -2.888 1.00 0.00 H new ATOM 0 HA GLN A 741 -6.942 8.216 -1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -9.444 6.749 -0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -8.612 7.916 0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -9.640 8.570 -2.732 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -10.602 8.783 -1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -10.666 11.062 -1.979 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -9.326 12.122 -1.532 1.00 0.00 H new ATOM 810 N THR A 742 -5.821 7.031 0.056 1.00 0.00 N ATOM 811 CA THR A 742 -4.957 6.296 0.971 1.00 0.00 C ATOM 812 C THR A 742 -5.655 6.044 2.303 1.00 0.00 C ATOM 813 O THR A 742 -6.188 6.968 2.919 1.00 0.00 O ATOM 814 CB THR A 742 -3.640 7.052 1.229 1.00 0.00 C ATOM 815 OG1 THR A 742 -3.043 7.435 -0.015 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.668 6.190 2.020 1.00 0.00 C ATOM 0 H THR A 742 -5.731 8.045 0.115 1.00 0.00 H new ATOM 0 HA THR A 742 -4.732 5.341 0.496 1.00 0.00 H new ATOM 0 HB THR A 742 -3.867 7.945 1.812 1.00 0.00 H new ATOM 0 HG1 THR A 742 -2.207 7.917 0.158 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.745 6.745 2.190 1.00 0.00 H new ATOM 0 HG22 THR A 742 -3.114 5.925 2.979 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.447 5.282 1.459 1.00 0.00 H new ATOM 824 N ILE A 743 -5.647 4.791 2.742 1.00 0.00 N ATOM 825 CA ILE A 743 -6.277 4.419 4.002 1.00 0.00 C ATOM 826 C ILE A 743 -5.401 3.452 4.791 1.00 0.00 C ATOM 827 O ILE A 743 -4.638 2.678 4.214 1.00 0.00 O ATOM 828 CB ILE A 743 -7.657 3.773 3.773 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.521 2.528 2.894 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.611 4.774 3.139 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.613 1.506 3.122 1.00 0.00 C ATOM 0 H ILE A 743 -5.211 4.015 2.243 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.405 5.338 4.573 1.00 0.00 H new ATOM 0 HB ILE A 743 -8.066 3.471 4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.530 2.830 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.554 2.063 3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.582 4.303 2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.727 5.634 3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.209 5.103 2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.453 0.650 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.591 1.176 4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.582 1.954 2.904 1.00 0.00 H new ATOM 843 N SER A 744 -5.518 3.501 6.114 1.00 0.00 N ATOM 844 CA SER A 744 -4.735 2.631 6.984 1.00 0.00 C ATOM 845 C SER A 744 -5.527 1.382 7.358 1.00 0.00 C ATOM 846 O SER A 744 -6.612 1.469 7.931 1.00 0.00 O ATOM 847 CB SER A 744 -4.317 3.381 8.250 1.00 0.00 C ATOM 848 OG SER A 744 -5.449 3.842 8.967 1.00 0.00 O ATOM 0 H SER A 744 -6.148 4.134 6.607 1.00 0.00 H new ATOM 0 HA SER A 744 -3.841 2.325 6.440 1.00 0.00 H new ATOM 0 HB2 SER A 744 -3.723 2.725 8.886 1.00 0.00 H new ATOM 0 HB3 SER A 744 -3.683 4.226 7.983 1.00 0.00 H new ATOM 0 HG SER A 744 -6.179 3.194 8.878 1.00 0.00 H new ATOM 854 N VAL A 745 -4.975 0.218 7.028 1.00 0.00 N ATOM 855 CA VAL A 745 -5.628 -1.050 7.329 1.00 0.00 C ATOM 856 C VAL A 745 -4.640 -2.050 7.922 1.00 0.00 C ATOM 857 O VAL A 745 -3.473 -2.089 7.534 1.00 0.00 O ATOM 858 CB VAL A 745 -6.269 -1.664 6.071 1.00 0.00 C ATOM 859 CG1 VAL A 745 -7.131 -2.862 6.441 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.087 -0.619 5.326 1.00 0.00 C ATOM 0 H VAL A 745 -4.077 0.128 6.552 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.409 -0.838 8.059 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.473 -2.009 5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.576 -3.283 5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.514 -3.617 6.928 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.921 -2.545 7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.533 -1.070 4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -7.876 -0.242 5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.439 0.205 5.027 1.00 0.00 H new ATOM 870 N ASP A 746 -5.117 -2.856 8.864 1.00 0.00 N ATOM 871 CA ASP A 746 -4.277 -3.858 9.509 1.00 0.00 C ATOM 872 C ASP A 746 -3.524 -4.686 8.473 1.00 0.00 C ATOM 873 O ASP A 746 -4.126 -5.254 7.562 1.00 0.00 O ATOM 874 CB ASP A 746 -5.125 -4.773 10.393 1.00 0.00 C ATOM 875 CG ASP A 746 -4.350 -5.316 11.577 1.00 0.00 C ATOM 876 OD1 ASP A 746 -3.979 -4.515 12.461 1.00 0.00 O ATOM 877 OD2 ASP A 746 -4.115 -6.542 11.621 1.00 0.00 O ATOM 0 H ASP A 746 -6.081 -2.835 9.198 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.548 -3.338 10.131 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -5.994 -4.222 10.753 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -5.500 -5.604 9.796 1.00 0.00 H new ATOM 882 N ARG A 747 -2.204 -4.748 8.618 1.00 0.00 N ATOM 883 CA ARG A 747 -1.369 -5.504 7.693 1.00 0.00 C ATOM 884 C ARG A 747 -1.992 -6.862 7.383 1.00 0.00 C ATOM 885 O ARG A 747 -1.797 -7.412 6.299 1.00 0.00 O ATOM 886 CB ARG A 747 0.032 -5.695 8.277 1.00 0.00 C ATOM 887 CG ARG A 747 0.767 -4.390 8.536 1.00 0.00 C ATOM 888 CD ARG A 747 2.275 -4.580 8.487 1.00 0.00 C ATOM 889 NE ARG A 747 2.793 -5.171 9.718 1.00 0.00 N ATOM 890 CZ ARG A 747 4.057 -5.544 9.880 1.00 0.00 C ATOM 891 NH1 ARG A 747 4.929 -5.387 8.893 1.00 0.00 N ATOM 892 NH2 ARG A 747 4.453 -6.073 11.030 1.00 0.00 N ATOM 0 H ARG A 747 -1.690 -4.284 9.367 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.294 -4.938 6.765 1.00 0.00 H new ATOM 0 HB2 ARG A 747 -0.046 -6.250 9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.622 -6.305 7.592 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.468 -3.650 7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.480 -3.997 9.512 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.533 -5.219 7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.756 -3.617 8.317 1.00 0.00 H new ATOM 0 HE ARG A 747 2.148 -5.305 10.497 1.00 0.00 H new ATOM 0 HH11 ARG A 747 4.629 -4.979 8.008 1.00 0.00 H new ATOM 0 HH12 ARG A 747 5.900 -5.674 9.019 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.786 -6.194 11.792 1.00 0.00 H new ATOM 0 HH22 ARG A 747 5.424 -6.359 11.152 1.00 0.00 H new ATOM 906 N GLN A 748 -2.740 -7.396 8.343 1.00 0.00 N ATOM 907 CA GLN A 748 -3.390 -8.690 8.173 1.00 0.00 C ATOM 908 C GLN A 748 -4.684 -8.549 7.378 1.00 0.00 C ATOM 909 O GLN A 748 -4.972 -9.356 6.493 1.00 0.00 O ATOM 910 CB GLN A 748 -3.681 -9.322 9.535 1.00 0.00 C ATOM 911 CG GLN A 748 -4.785 -10.366 9.499 1.00 0.00 C ATOM 912 CD GLN A 748 -4.601 -11.447 10.546 1.00 0.00 C ATOM 913 OE1 GLN A 748 -4.164 -11.175 11.665 1.00 0.00 O ATOM 914 NE2 GLN A 748 -4.935 -12.681 10.188 1.00 0.00 N ATOM 0 H GLN A 748 -2.911 -6.953 9.246 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.712 -9.338 7.617 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -2.769 -9.783 9.914 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -3.958 -8.537 10.239 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -5.747 -9.877 9.652 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -4.814 -10.824 8.510 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -5.293 -12.861 9.250 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -4.834 -13.449 10.851 1.00 0.00 H new ATOM 923 N ARG A 749 -5.461 -7.520 7.700 1.00 0.00 N ATOM 924 CA ARG A 749 -6.725 -7.274 7.017 1.00 0.00 C ATOM 925 C ARG A 749 -6.525 -7.216 5.506 1.00 0.00 C ATOM 926 O ARG A 749 -7.482 -7.317 4.737 1.00 0.00 O ATOM 927 CB ARG A 749 -7.350 -5.968 7.510 1.00 0.00 C ATOM 928 CG ARG A 749 -8.085 -6.105 8.834 1.00 0.00 C ATOM 929 CD ARG A 749 -8.899 -4.861 9.151 1.00 0.00 C ATOM 930 NE ARG A 749 -9.532 -4.941 10.465 1.00 0.00 N ATOM 931 CZ ARG A 749 -10.551 -4.175 10.837 1.00 0.00 C ATOM 932 NH1 ARG A 749 -11.050 -3.276 10.000 1.00 0.00 N ATOM 933 NH2 ARG A 749 -11.074 -4.307 12.050 1.00 0.00 N ATOM 0 H ARG A 749 -5.237 -6.843 8.430 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.399 -8.100 7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.567 -5.217 7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -8.045 -5.600 6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.744 -6.973 8.797 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.366 -6.284 9.634 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -8.252 -3.985 9.113 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -9.665 -4.725 8.387 1.00 0.00 H new ATOM 0 HE ARG A 749 -9.172 -5.622 11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -10.651 -3.171 9.067 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -11.833 -2.689 10.289 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -10.693 -4.997 12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -11.857 -3.718 12.335 1.00 0.00 H new ATOM 947 N LEU A 750 -5.275 -7.052 5.086 1.00 0.00 N ATOM 948 CA LEU A 750 -4.948 -6.980 3.666 1.00 0.00 C ATOM 949 C LEU A 750 -4.599 -8.359 3.117 1.00 0.00 C ATOM 950 O LEU A 750 -4.009 -9.186 3.813 1.00 0.00 O ATOM 951 CB LEU A 750 -3.780 -6.018 3.440 1.00 0.00 C ATOM 952 CG LEU A 750 -3.893 -4.653 4.120 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.539 -3.963 4.160 1.00 0.00 C ATOM 954 CD2 LEU A 750 -4.916 -3.784 3.405 1.00 0.00 C ATOM 0 H LEU A 750 -4.472 -6.966 5.708 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.825 -6.609 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -2.866 -6.500 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.669 -5.859 2.367 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.230 -4.806 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -2.639 -2.993 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -1.833 -4.578 4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.172 -3.822 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -4.983 -2.817 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.609 -3.639 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -5.890 -4.273 3.430 1.00 0.00 H new ATOM 966 N THR A 751 -4.967 -8.601 1.862 1.00 0.00 N ATOM 967 CA THR A 751 -4.692 -9.880 1.219 1.00 0.00 C ATOM 968 C THR A 751 -3.944 -9.684 -0.095 1.00 0.00 C ATOM 969 O THR A 751 -4.551 -9.441 -1.138 1.00 0.00 O ATOM 970 CB THR A 751 -5.991 -10.661 0.945 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.705 -10.870 2.169 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.689 -12.002 0.294 1.00 0.00 C ATOM 0 H THR A 751 -5.456 -7.928 1.271 1.00 0.00 H new ATOM 0 HA THR A 751 -4.070 -10.453 1.907 1.00 0.00 H new ATOM 0 HB THR A 751 -6.605 -10.073 0.262 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.442 -11.497 2.015 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.622 -12.535 0.110 1.00 0.00 H new ATOM 0 HG22 THR A 751 -5.172 -11.839 -0.651 1.00 0.00 H new ATOM 0 HG23 THR A 751 -5.057 -12.594 0.956 1.00 0.00 H new ATOM 980 N THR A 752 -2.620 -9.794 -0.038 1.00 0.00 N ATOM 981 CA THR A 752 -1.788 -9.628 -1.224 1.00 0.00 C ATOM 982 C THR A 752 -2.451 -10.244 -2.451 1.00 0.00 C ATOM 983 O THR A 752 -2.700 -11.449 -2.496 1.00 0.00 O ATOM 984 CB THR A 752 -0.400 -10.268 -1.029 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.528 -11.517 -0.342 1.00 0.00 O ATOM 986 CG2 THR A 752 0.516 -9.342 -0.243 1.00 0.00 C ATOM 0 H THR A 752 -2.101 -9.997 0.816 1.00 0.00 H new ATOM 0 HA THR A 752 -1.668 -8.556 -1.379 1.00 0.00 H new ATOM 0 HB THR A 752 0.039 -10.439 -2.012 1.00 0.00 H new ATOM 0 HG1 THR A 752 -1.270 -12.028 -0.728 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.490 -9.815 -0.117 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.635 -8.403 -0.784 1.00 0.00 H new ATOM 0 HG23 THR A 752 0.080 -9.144 0.736 1.00 0.00 H new ATOM 994 N VAL A 753 -2.735 -9.409 -3.445 1.00 0.00 N ATOM 995 CA VAL A 753 -3.368 -9.871 -4.675 1.00 0.00 C ATOM 996 C VAL A 753 -2.401 -10.700 -5.512 1.00 0.00 C ATOM 997 O VAL A 753 -2.772 -11.734 -6.066 1.00 0.00 O ATOM 998 CB VAL A 753 -3.881 -8.691 -5.521 1.00 0.00 C ATOM 999 CG1 VAL A 753 -4.495 -9.191 -6.819 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -4.885 -7.865 -4.730 1.00 0.00 C ATOM 0 H VAL A 753 -2.537 -8.409 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 753 -4.215 -10.492 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 753 -3.035 -8.051 -5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -4.852 -8.343 -7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.744 -9.735 -7.391 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -5.331 -9.854 -6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -5.237 -7.035 -5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.731 -8.492 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -4.407 -7.475 -3.831 1.00 0.00 H new