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 728 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 731 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 703 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.5!) USER MOD Single : A 708 GLN : amide:sc= -0.681 K(o=-0.68,f=-1.7!) USER MOD Single : A 709 THR OG1 : rot 180:sc= 0 USER MOD Single : A 713 SER OG : rot -51:sc= 0.167 USER MOD Single : A 714 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.24) USER MOD Single : A 717 TYR OH : rot 180:sc= 0 USER MOD Single : A 718 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 TYR OH : rot 180:sc= 0 USER MOD Single : A 725 LYS NZ :NH3+ 141:sc= -0.161 (180deg=-1.33!) USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 737 HIS : no HE2:sc= -2.57! C(o=-2.6!,f=-6.3!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot 160:sc= -0.0514 USER MOD Single : A 740 CYS SG : rot 44:sc= 0.344 USER MOD Single : A 741 GLN : amide:sc= -0.231 K(o=-0.23,f=-2) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot -138:sc= -1.41 USER MOD Single : A 748 GLN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 9.862 -1.156 3.305 1.00 0.00 N ATOM 217 CA ASN A 703 9.226 -0.615 2.109 1.00 0.00 C ATOM 218 C ASN A 703 9.188 -1.657 0.995 1.00 0.00 C ATOM 219 O ASN A 703 9.119 -1.316 -0.185 1.00 0.00 O ATOM 220 CB ASN A 703 9.969 0.633 1.630 1.00 0.00 C ATOM 221 CG ASN A 703 11.471 0.425 1.573 1.00 0.00 C ATOM 222 OD1 ASN A 703 11.947 -0.633 1.164 1.00 0.00 O ATOM 223 ND2 ASN A 703 12.224 1.438 1.986 1.00 0.00 N ATOM 0 HA ASN A 703 8.202 -0.343 2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 703 9.606 0.912 0.641 1.00 0.00 H new ATOM 0 HB3 ASN A 703 9.745 1.465 2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 703 13.241 1.357 1.972 1.00 0.00 H new ATOM 0 HD22 ASN A 703 11.786 2.297 2.317 1.00 0.00 H new ATOM 230 N GLU A 704 9.234 -2.929 1.380 1.00 0.00 N ATOM 231 CA GLU A 704 9.205 -4.020 0.413 1.00 0.00 C ATOM 232 C GLU A 704 7.806 -4.193 -0.171 1.00 0.00 C ATOM 233 O GLU A 704 7.604 -4.059 -1.379 1.00 0.00 O ATOM 234 CB GLU A 704 9.660 -5.325 1.070 1.00 0.00 C ATOM 235 CG GLU A 704 9.840 -6.471 0.088 1.00 0.00 C ATOM 236 CD GLU A 704 11.037 -6.276 -0.823 1.00 0.00 C ATOM 237 OE1 GLU A 704 11.961 -5.531 -0.436 1.00 0.00 O ATOM 238 OE2 GLU A 704 11.049 -6.868 -1.922 1.00 0.00 O ATOM 0 H GLU A 704 9.291 -3.229 2.353 1.00 0.00 H new ATOM 0 HA GLU A 704 9.890 -3.771 -0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 704 10.603 -5.151 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 704 8.929 -5.616 1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 704 9.957 -7.403 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 704 8.939 -6.570 -0.518 1.00 0.00 H new ATOM 245 N LEU A 705 6.843 -4.492 0.694 1.00 0.00 N ATOM 246 CA LEU A 705 5.462 -4.685 0.265 1.00 0.00 C ATOM 247 C LEU A 705 4.898 -3.405 -0.345 1.00 0.00 C ATOM 248 O LEU A 705 3.834 -3.418 -0.964 1.00 0.00 O ATOM 249 CB LEU A 705 4.597 -5.124 1.447 1.00 0.00 C ATOM 250 CG LEU A 705 3.090 -5.177 1.193 1.00 0.00 C ATOM 251 CD1 LEU A 705 2.758 -6.260 0.179 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.338 -5.414 2.495 1.00 0.00 C ATOM 0 H LEU A 705 6.993 -4.606 1.696 1.00 0.00 H new ATOM 0 HA LEU A 705 5.449 -5.465 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 705 4.927 -6.113 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 705 4.781 -4.444 2.279 1.00 0.00 H new ATOM 0 HG LEU A 705 2.775 -4.217 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.681 -6.283 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.268 -6.047 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 705 3.087 -7.227 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.267 -5.449 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.657 -6.360 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.551 -4.603 3.191 1.00 0.00 H new ATOM 264 N ILE A 706 5.619 -2.304 -0.167 1.00 0.00 N ATOM 265 CA ILE A 706 5.192 -1.017 -0.702 1.00 0.00 C ATOM 266 C ILE A 706 5.191 -1.029 -2.227 1.00 0.00 C ATOM 267 O ILE A 706 6.247 -1.040 -2.859 1.00 0.00 O ATOM 268 CB ILE A 706 6.098 0.127 -0.210 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.812 0.436 1.261 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.897 1.368 -1.066 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.449 -0.786 2.076 1.00 0.00 C ATOM 0 H ILE A 706 6.502 -2.277 0.344 1.00 0.00 H new ATOM 0 HA ILE A 706 4.178 -0.847 -0.341 1.00 0.00 H new ATOM 0 HB ILE A 706 7.138 -0.188 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.690 0.909 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 706 4.997 1.158 1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.544 2.167 -0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 706 6.146 1.139 -2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.857 1.688 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 706 5.260 -0.492 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.553 -1.248 1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.272 -1.500 2.047 1.00 0.00 H new ATOM 283 N GLY A 707 3.998 -1.026 -2.813 1.00 0.00 N ATOM 284 CA GLY A 707 3.882 -1.035 -4.260 1.00 0.00 C ATOM 285 C GLY A 707 3.137 -2.251 -4.774 1.00 0.00 C ATOM 286 O GLY A 707 2.706 -2.281 -5.926 1.00 0.00 O ATOM 0 H GLY A 707 3.110 -1.017 -2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.366 -0.132 -4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.878 -1.010 -4.702 1.00 0.00 H new ATOM 290 N GLN A 708 2.988 -3.257 -3.918 1.00 0.00 N ATOM 291 CA GLN A 708 2.292 -4.482 -4.294 1.00 0.00 C ATOM 292 C GLN A 708 0.782 -4.271 -4.299 1.00 0.00 C ATOM 293 O GLN A 708 0.266 -3.378 -3.627 1.00 0.00 O ATOM 294 CB GLN A 708 2.658 -5.616 -3.335 1.00 0.00 C ATOM 295 CG GLN A 708 4.152 -5.751 -3.094 1.00 0.00 C ATOM 296 CD GLN A 708 4.962 -5.645 -4.371 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.506 -6.045 -5.443 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.169 -5.104 -4.264 1.00 0.00 N ATOM 0 H GLN A 708 3.339 -3.248 -2.961 1.00 0.00 H new ATOM 0 HA GLN A 708 2.605 -4.753 -5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.158 -5.449 -2.381 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.277 -6.556 -3.735 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.475 -4.977 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.354 -6.711 -2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.507 -4.786 -3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.759 -5.006 -5.090 1.00 0.00 H new ATOM 307 N THR A 709 0.076 -5.100 -5.063 1.00 0.00 N ATOM 308 CA THR A 709 -1.375 -5.003 -5.157 1.00 0.00 C ATOM 309 C THR A 709 -2.053 -5.851 -4.086 1.00 0.00 C ATOM 310 O THR A 709 -1.962 -7.078 -4.101 1.00 0.00 O ATOM 311 CB THR A 709 -1.879 -5.448 -6.543 1.00 0.00 C ATOM 312 OG1 THR A 709 -1.403 -4.548 -7.549 1.00 0.00 O ATOM 313 CG2 THR A 709 -3.400 -5.495 -6.576 1.00 0.00 C ATOM 0 H THR A 709 0.486 -5.846 -5.625 1.00 0.00 H new ATOM 0 HA THR A 709 -1.633 -3.955 -5.004 1.00 0.00 H new ATOM 0 HB THR A 709 -1.496 -6.449 -6.741 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.726 -4.839 -8.427 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.733 -5.812 -7.564 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.758 -6.203 -5.828 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.799 -4.504 -6.359 1.00 0.00 H new ATOM 321 N VAL A 710 -2.735 -5.188 -3.157 1.00 0.00 N ATOM 322 CA VAL A 710 -3.430 -5.881 -2.079 1.00 0.00 C ATOM 323 C VAL A 710 -4.932 -5.627 -2.142 1.00 0.00 C ATOM 324 O VAL A 710 -5.378 -4.606 -2.665 1.00 0.00 O ATOM 325 CB VAL A 710 -2.904 -5.443 -0.699 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.423 -5.764 -0.566 1.00 0.00 C ATOM 327 CG2 VAL A 710 -3.159 -3.960 -0.478 1.00 0.00 C ATOM 0 H VAL A 710 -2.821 -4.172 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 710 -3.238 -6.946 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.442 -5.999 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -1.069 -5.448 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.272 -6.838 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.866 -5.237 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.781 -3.668 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.649 -3.384 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.230 -3.764 -0.527 1.00 0.00 H new ATOM 337 N ARG A 711 -5.707 -6.563 -1.604 1.00 0.00 N ATOM 338 CA ARG A 711 -7.160 -6.442 -1.600 1.00 0.00 C ATOM 339 C ARG A 711 -7.714 -6.589 -0.186 1.00 0.00 C ATOM 340 O ARG A 711 -7.624 -7.659 0.418 1.00 0.00 O ATOM 341 CB ARG A 711 -7.784 -7.496 -2.516 1.00 0.00 C ATOM 342 CG ARG A 711 -9.297 -7.588 -2.397 1.00 0.00 C ATOM 343 CD ARG A 711 -9.815 -8.929 -2.894 1.00 0.00 C ATOM 344 NE ARG A 711 -9.510 -9.144 -4.306 1.00 0.00 N ATOM 345 CZ ARG A 711 -10.190 -8.581 -5.299 1.00 0.00 C ATOM 346 NH1 ARG A 711 -11.207 -7.773 -5.035 1.00 0.00 N ATOM 347 NH2 ARG A 711 -9.851 -8.825 -6.559 1.00 0.00 N ATOM 0 H ARG A 711 -5.353 -7.413 -1.165 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.418 -5.450 -1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -7.523 -7.268 -3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -7.350 -8.469 -2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.590 -7.446 -1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.758 -6.784 -2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -9.373 -9.730 -2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -10.894 -8.979 -2.744 1.00 0.00 H new ATOM 0 HE ARG A 711 -8.732 -9.760 -4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -11.469 -7.582 -4.068 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -11.728 -7.342 -5.799 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -9.068 -9.445 -6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -10.374 -8.392 -7.321 1.00 0.00 H new ATOM 361 N ILE A 712 -8.285 -5.509 0.336 1.00 0.00 N ATOM 362 CA ILE A 712 -8.853 -5.519 1.678 1.00 0.00 C ATOM 363 C ILE A 712 -10.030 -6.484 1.770 1.00 0.00 C ATOM 364 O ILE A 712 -11.093 -6.240 1.199 1.00 0.00 O ATOM 365 CB ILE A 712 -9.321 -4.114 2.102 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.182 -3.105 1.948 1.00 0.00 C ATOM 367 CG2 ILE A 712 -9.828 -4.135 3.537 1.00 0.00 C ATOM 368 CD1 ILE A 712 -8.645 -1.665 1.951 1.00 0.00 C ATOM 0 H ILE A 712 -8.367 -4.616 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 712 -8.063 -5.849 2.352 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.141 -3.809 1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -7.467 -3.250 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.653 -3.306 1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.155 -3.135 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -10.666 -4.827 3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.026 -4.458 4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -7.784 -1.006 1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.337 -1.504 1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.148 -1.447 2.893 1.00 0.00 H new ATOM 380 N SER A 713 -9.834 -7.581 2.495 1.00 0.00 N ATOM 381 CA SER A 713 -10.879 -8.585 2.660 1.00 0.00 C ATOM 382 C SER A 713 -11.447 -8.549 4.076 1.00 0.00 C ATOM 383 O SER A 713 -12.043 -9.520 4.541 1.00 0.00 O ATOM 384 CB SER A 713 -10.329 -9.979 2.355 1.00 0.00 C ATOM 385 OG SER A 713 -11.378 -10.896 2.096 1.00 0.00 O ATOM 0 H SER A 713 -8.962 -7.797 2.977 1.00 0.00 H new ATOM 0 HA SER A 713 -11.682 -8.357 1.958 1.00 0.00 H new ATOM 0 HB2 SER A 713 -9.663 -9.930 1.493 1.00 0.00 H new ATOM 0 HB3 SER A 713 -9.734 -10.331 3.198 1.00 0.00 H new ATOM 0 HG SER A 713 -12.036 -10.854 2.821 1.00 0.00 H new ATOM 391 N GLN A 714 -11.258 -7.421 4.754 1.00 0.00 N ATOM 392 CA GLN A 714 -11.752 -7.258 6.116 1.00 0.00 C ATOM 393 C GLN A 714 -12.108 -5.802 6.396 1.00 0.00 C ATOM 394 O GLN A 714 -11.349 -4.892 6.064 1.00 0.00 O ATOM 395 CB GLN A 714 -10.705 -7.742 7.121 1.00 0.00 C ATOM 396 CG GLN A 714 -10.833 -9.215 7.473 1.00 0.00 C ATOM 397 CD GLN A 714 -12.136 -9.535 8.178 1.00 0.00 C ATOM 398 OE1 GLN A 714 -12.966 -10.285 7.663 1.00 0.00 O ATOM 399 NE2 GLN A 714 -12.322 -8.968 9.364 1.00 0.00 N ATOM 0 H GLN A 714 -10.767 -6.608 4.383 1.00 0.00 H new ATOM 0 HA GLN A 714 -12.654 -7.860 6.223 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -9.711 -7.560 6.713 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -10.789 -7.151 8.033 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -10.761 -9.810 6.562 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -9.998 -9.506 8.111 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -11.607 -8.353 9.753 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -13.180 -9.147 9.886 1.00 0.00 H new ATOM 408 N GLY A 715 -13.269 -5.589 7.008 1.00 0.00 N ATOM 409 CA GLY A 715 -13.705 -4.241 7.321 1.00 0.00 C ATOM 410 C GLY A 715 -14.737 -3.722 6.339 1.00 0.00 C ATOM 411 O GLY A 715 -15.332 -4.481 5.573 1.00 0.00 O ATOM 0 H GLY A 715 -13.915 -6.326 7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -14.124 -4.222 8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.842 -3.575 7.323 1.00 0.00 H new ATOM 415 N PRO A 716 -14.962 -2.400 6.354 1.00 0.00 N ATOM 416 CA PRO A 716 -15.930 -1.752 5.464 1.00 0.00 C ATOM 417 C PRO A 716 -15.474 -1.757 4.009 1.00 0.00 C ATOM 418 O PRO A 716 -16.294 -1.794 3.091 1.00 0.00 O ATOM 419 CB PRO A 716 -15.999 -0.319 5.999 1.00 0.00 C ATOM 420 CG PRO A 716 -14.688 -0.102 6.672 1.00 0.00 C ATOM 421 CD PRO A 716 -14.289 -1.436 7.240 1.00 0.00 C ATOM 0 HA PRO A 716 -16.890 -2.267 5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.153 0.398 5.192 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -16.827 -0.196 6.697 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -13.942 0.260 5.965 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -14.772 0.648 7.459 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.207 -1.569 7.231 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -14.615 -1.546 8.274 1.00 0.00 H new ATOM 429 N TYR A 717 -14.162 -1.719 3.806 1.00 0.00 N ATOM 430 CA TYR A 717 -13.596 -1.717 2.462 1.00 0.00 C ATOM 431 C TYR A 717 -13.313 -3.139 1.988 1.00 0.00 C ATOM 432 O TYR A 717 -12.303 -3.399 1.333 1.00 0.00 O ATOM 433 CB TYR A 717 -12.310 -0.890 2.428 1.00 0.00 C ATOM 434 CG TYR A 717 -12.468 0.499 3.003 1.00 0.00 C ATOM 435 CD1 TYR A 717 -12.288 0.735 4.361 1.00 0.00 C ATOM 436 CD2 TYR A 717 -12.798 1.576 2.190 1.00 0.00 C ATOM 437 CE1 TYR A 717 -12.432 2.003 4.891 1.00 0.00 C ATOM 438 CE2 TYR A 717 -12.942 2.847 2.711 1.00 0.00 C ATOM 439 CZ TYR A 717 -12.758 3.055 4.062 1.00 0.00 C ATOM 440 OH TYR A 717 -12.903 4.320 4.585 1.00 0.00 O ATOM 0 H TYR A 717 -13.470 -1.689 4.555 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.326 -1.268 1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.534 -1.418 2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -11.966 -0.810 1.397 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -12.031 -0.087 5.013 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -12.945 1.417 1.132 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -12.290 2.169 5.949 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -13.197 3.673 2.064 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.132 4.946 3.867 1.00 0.00 H new ATOM 450 N LYS A 718 -14.213 -4.057 2.323 1.00 0.00 N ATOM 451 CA LYS A 718 -14.063 -5.454 1.931 1.00 0.00 C ATOM 452 C LYS A 718 -14.333 -5.633 0.440 1.00 0.00 C ATOM 453 O LYS A 718 -15.380 -5.229 -0.064 1.00 0.00 O ATOM 454 CB LYS A 718 -15.014 -6.337 2.742 1.00 0.00 C ATOM 455 CG LYS A 718 -15.119 -7.759 2.219 1.00 0.00 C ATOM 456 CD LYS A 718 -15.586 -8.718 3.300 1.00 0.00 C ATOM 457 CE LYS A 718 -15.034 -10.118 3.080 1.00 0.00 C ATOM 458 NZ LYS A 718 -15.912 -10.927 2.190 1.00 0.00 N ATOM 0 H LYS A 718 -15.054 -3.859 2.865 1.00 0.00 H new ATOM 0 HA LYS A 718 -13.035 -5.754 2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.676 -6.364 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -16.006 -5.885 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.814 -7.789 1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -14.149 -8.081 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.269 -8.350 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -16.675 -8.753 3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -14.037 -10.051 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -14.928 -10.622 4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -15.501 -11.874 2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -16.856 -11.013 2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -15.993 -10.460 1.264 1.00 0.00 H new ATOM 472 N GLY A 719 -13.381 -6.243 -0.260 1.00 0.00 N ATOM 473 CA GLY A 719 -13.537 -6.466 -1.685 1.00 0.00 C ATOM 474 C GLY A 719 -13.050 -5.293 -2.512 1.00 0.00 C ATOM 475 O GLY A 719 -13.625 -4.978 -3.554 1.00 0.00 O ATOM 0 H GLY A 719 -12.505 -6.586 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.987 -7.362 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.588 -6.652 -1.908 1.00 0.00 H new ATOM 479 N TYR A 720 -11.989 -4.643 -2.047 1.00 0.00 N ATOM 480 CA TYR A 720 -11.427 -3.495 -2.748 1.00 0.00 C ATOM 481 C TYR A 720 -9.928 -3.671 -2.969 1.00 0.00 C ATOM 482 O TYR A 720 -9.227 -4.231 -2.126 1.00 0.00 O ATOM 483 CB TYR A 720 -11.690 -2.210 -1.960 1.00 0.00 C ATOM 484 CG TYR A 720 -13.105 -1.694 -2.098 1.00 0.00 C ATOM 485 CD1 TYR A 720 -14.189 -2.467 -1.702 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.357 -0.433 -2.623 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.483 -2.000 -1.827 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.647 0.043 -2.750 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.707 -0.744 -2.351 1.00 0.00 C ATOM 490 OH TYR A 720 -16.994 -0.274 -2.476 1.00 0.00 O ATOM 0 H TYR A 720 -11.501 -4.892 -1.187 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.913 -3.423 -3.721 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.479 -2.391 -0.906 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.997 -1.439 -2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -14.017 -3.450 -1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.530 0.186 -2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.315 -2.615 -1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.825 1.026 -3.160 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.977 0.627 -2.861 1.00 0.00 H new ATOM 500 N ILE A 721 -9.444 -3.189 -4.109 1.00 0.00 N ATOM 501 CA ILE A 721 -8.029 -3.291 -4.441 1.00 0.00 C ATOM 502 C ILE A 721 -7.292 -1.997 -4.113 1.00 0.00 C ATOM 503 O ILE A 721 -7.896 -0.927 -4.044 1.00 0.00 O ATOM 504 CB ILE A 721 -7.822 -3.623 -5.930 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.616 -4.874 -6.312 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.343 -3.816 -6.230 1.00 0.00 C ATOM 507 CD1 ILE A 721 -8.166 -6.121 -5.583 1.00 0.00 C ATOM 0 H ILE A 721 -10.011 -2.724 -4.818 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.622 -4.101 -3.837 1.00 0.00 H new ATOM 0 HB ILE A 721 -8.188 -2.787 -6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.672 -4.702 -6.103 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.526 -5.038 -7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -6.214 -4.050 -7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.801 -2.901 -5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.953 -4.636 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.772 -6.968 -5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -7.118 -6.318 -5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -8.283 -5.977 -4.509 1.00 0.00 H new ATOM 519 N GLY A 722 -5.982 -2.102 -3.914 1.00 0.00 N ATOM 520 CA GLY A 722 -5.183 -0.932 -3.597 1.00 0.00 C ATOM 521 C GLY A 722 -3.699 -1.238 -3.549 1.00 0.00 C ATOM 522 O GLY A 722 -3.301 -2.379 -3.312 1.00 0.00 O ATOM 0 H GLY A 722 -5.459 -2.976 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.367 -0.158 -4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.499 -0.530 -2.634 1.00 0.00 H new ATOM 526 N VAL A 723 -2.878 -0.218 -3.776 1.00 0.00 N ATOM 527 CA VAL A 723 -1.430 -0.383 -3.757 1.00 0.00 C ATOM 528 C VAL A 723 -0.844 0.050 -2.418 1.00 0.00 C ATOM 529 O VAL A 723 -1.122 1.146 -1.932 1.00 0.00 O ATOM 530 CB VAL A 723 -0.758 0.424 -4.884 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.741 0.526 -4.648 1.00 0.00 C ATOM 532 CG2 VAL A 723 -1.051 -0.205 -6.238 1.00 0.00 C ATOM 0 H VAL A 723 -3.191 0.732 -3.975 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.231 -1.444 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.171 1.433 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.198 1.099 -5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 723 0.926 1.026 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.174 -0.474 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.568 0.378 -7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.667 -1.225 -6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -2.128 -0.220 -6.407 1.00 0.00 H new ATOM 542 N VAL A 724 -0.030 -0.819 -1.826 1.00 0.00 N ATOM 543 CA VAL A 724 0.597 -0.526 -0.543 1.00 0.00 C ATOM 544 C VAL A 724 1.608 0.608 -0.671 1.00 0.00 C ATOM 545 O VAL A 724 2.649 0.458 -1.311 1.00 0.00 O ATOM 546 CB VAL A 724 1.305 -1.767 0.032 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.786 -1.499 1.450 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.380 -2.974 -0.007 1.00 0.00 C ATOM 0 H VAL A 724 0.210 -1.731 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.200 -0.224 0.136 1.00 0.00 H new ATOM 0 HB VAL A 724 2.176 -1.985 -0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.284 -2.387 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.486 -0.664 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 724 0.933 -1.254 2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 724 0.897 -3.842 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.511 -2.769 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.091 -3.178 -1.038 1.00 0.00 H new ATOM 558 N LYS A 725 1.295 1.745 -0.058 1.00 0.00 N ATOM 559 CA LYS A 725 2.175 2.906 -0.102 1.00 0.00 C ATOM 560 C LYS A 725 3.104 2.929 1.108 1.00 0.00 C ATOM 561 O LYS A 725 4.284 3.262 0.991 1.00 0.00 O ATOM 562 CB LYS A 725 1.352 4.195 -0.151 1.00 0.00 C ATOM 563 CG LYS A 725 0.245 4.170 -1.190 1.00 0.00 C ATOM 564 CD LYS A 725 0.794 3.909 -2.583 1.00 0.00 C ATOM 565 CE LYS A 725 1.482 5.140 -3.151 1.00 0.00 C ATOM 566 NZ LYS A 725 2.930 5.176 -2.802 1.00 0.00 N ATOM 0 H LYS A 725 0.437 1.887 0.476 1.00 0.00 H new ATOM 0 HA LYS A 725 2.783 2.837 -1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.913 4.374 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 725 2.017 5.033 -0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.479 3.397 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -0.287 5.122 -1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 725 1.501 3.080 -2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 725 -0.018 3.607 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 725 1.369 5.152 -4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 725 0.994 6.037 -2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 3.474 5.530 -3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 3.075 5.806 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 3.253 4.217 -2.560 1.00 0.00 H new ATOM 580 N ASP A 726 2.566 2.572 2.269 1.00 0.00 N ATOM 581 CA ASP A 726 3.347 2.550 3.500 1.00 0.00 C ATOM 582 C ASP A 726 3.030 1.305 4.322 1.00 0.00 C ATOM 583 O ASP A 726 1.899 0.819 4.321 1.00 0.00 O ATOM 584 CB ASP A 726 3.072 3.807 4.327 1.00 0.00 C ATOM 585 CG ASP A 726 4.251 4.198 5.196 1.00 0.00 C ATOM 586 OD1 ASP A 726 5.352 4.402 4.644 1.00 0.00 O ATOM 587 OD2 ASP A 726 4.073 4.300 6.428 1.00 0.00 O ATOM 0 H ASP A 726 1.591 2.294 2.383 1.00 0.00 H new ATOM 0 HA ASP A 726 4.403 2.526 3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.828 4.632 3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.199 3.639 4.958 1.00 0.00 H new ATOM 592 N ALA A 727 4.036 0.793 5.023 1.00 0.00 N ATOM 593 CA ALA A 727 3.865 -0.394 5.851 1.00 0.00 C ATOM 594 C ALA A 727 4.077 -0.071 7.326 1.00 0.00 C ATOM 595 O ALA A 727 5.171 0.317 7.736 1.00 0.00 O ATOM 596 CB ALA A 727 4.821 -1.491 5.406 1.00 0.00 C ATOM 0 H ALA A 727 4.979 1.182 5.034 1.00 0.00 H new ATOM 0 HA ALA A 727 2.841 -0.747 5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.682 -2.371 6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.619 -1.750 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.848 -1.138 5.499 1.00 0.00 H new ATOM 602 N THR A 728 3.023 -0.233 8.121 1.00 0.00 N ATOM 603 CA THR A 728 3.094 0.044 9.550 1.00 0.00 C ATOM 604 C THR A 728 3.255 -1.243 10.351 1.00 0.00 C ATOM 605 O THR A 728 3.116 -2.341 9.813 1.00 0.00 O ATOM 606 CB THR A 728 1.838 0.787 10.041 1.00 0.00 C ATOM 607 OG1 THR A 728 1.303 1.595 8.987 1.00 0.00 O ATOM 608 CG2 THR A 728 2.162 1.662 11.243 1.00 0.00 C ATOM 0 H THR A 728 2.110 -0.555 7.799 1.00 0.00 H new ATOM 0 HA THR A 728 3.966 0.678 9.707 1.00 0.00 H new ATOM 0 HB THR A 728 1.098 0.045 10.341 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.504 2.063 9.307 1.00 0.00 H new ATOM 0 HG21 THR A 728 1.259 2.177 11.572 1.00 0.00 H new ATOM 0 HG22 THR A 728 2.541 1.040 12.054 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.918 2.397 10.965 1.00 0.00 H new ATOM 616 N GLU A 729 3.548 -1.099 11.640 1.00 0.00 N ATOM 617 CA GLU A 729 3.727 -2.252 12.515 1.00 0.00 C ATOM 618 C GLU A 729 2.414 -3.008 12.695 1.00 0.00 C ATOM 619 O GLU A 729 2.385 -4.238 12.671 1.00 0.00 O ATOM 620 CB GLU A 729 4.264 -1.807 13.877 1.00 0.00 C ATOM 621 CG GLU A 729 3.381 -0.787 14.576 1.00 0.00 C ATOM 622 CD GLU A 729 3.990 -0.275 15.867 1.00 0.00 C ATOM 623 OE1 GLU A 729 4.322 -1.106 16.737 1.00 0.00 O ATOM 624 OE2 GLU A 729 4.134 0.958 16.006 1.00 0.00 O ATOM 0 H GLU A 729 3.666 -0.197 12.101 1.00 0.00 H new ATOM 0 HA GLU A 729 4.450 -2.922 12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 729 4.372 -2.681 14.519 1.00 0.00 H new ATOM 0 HB3 GLU A 729 5.260 -1.383 13.745 1.00 0.00 H new ATOM 0 HG2 GLU A 729 3.202 0.053 13.905 1.00 0.00 H new ATOM 0 HG3 GLU A 729 2.411 -1.237 14.789 1.00 0.00 H new ATOM 631 N SER A 730 1.329 -2.262 12.877 1.00 0.00 N ATOM 632 CA SER A 730 0.013 -2.861 13.066 1.00 0.00 C ATOM 633 C SER A 730 -0.986 -2.309 12.054 1.00 0.00 C ATOM 634 O SER A 730 -2.199 -2.416 12.238 1.00 0.00 O ATOM 635 CB SER A 730 -0.489 -2.602 14.488 1.00 0.00 C ATOM 636 OG SER A 730 0.286 -3.311 15.440 1.00 0.00 O ATOM 0 H SER A 730 1.335 -1.242 12.898 1.00 0.00 H new ATOM 0 HA SER A 730 0.105 -3.936 12.910 1.00 0.00 H new ATOM 0 HB2 SER A 730 -0.447 -1.534 14.703 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.534 -2.902 14.569 1.00 0.00 H new ATOM 0 HG SER A 730 -0.054 -3.127 16.341 1.00 0.00 H new ATOM 642 N THR A 731 -0.467 -1.717 10.983 1.00 0.00 N ATOM 643 CA THR A 731 -1.311 -1.146 9.941 1.00 0.00 C ATOM 644 C THR A 731 -0.540 -0.982 8.636 1.00 0.00 C ATOM 645 O THR A 731 0.670 -1.203 8.588 1.00 0.00 O ATOM 646 CB THR A 731 -1.878 0.222 10.364 1.00 0.00 C ATOM 647 OG1 THR A 731 -0.960 0.882 11.242 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.223 0.060 11.056 1.00 0.00 C ATOM 0 H THR A 731 0.534 -1.620 10.815 1.00 0.00 H new ATOM 0 HA THR A 731 -2.136 -1.841 9.787 1.00 0.00 H new ATOM 0 HB THR A 731 -2.020 0.825 9.467 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.327 1.752 11.505 1.00 0.00 H new ATOM 0 HG21 THR A 731 -3.604 1.040 11.346 1.00 0.00 H new ATOM 0 HG22 THR A 731 -3.928 -0.416 10.374 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.103 -0.560 11.945 1.00 0.00 H new ATOM 656 N ALA A 732 -1.247 -0.593 7.581 1.00 0.00 N ATOM 657 CA ALA A 732 -0.627 -0.397 6.276 1.00 0.00 C ATOM 658 C ALA A 732 -1.407 0.616 5.444 1.00 0.00 C ATOM 659 O ALA A 732 -2.598 0.437 5.189 1.00 0.00 O ATOM 660 CB ALA A 732 -0.524 -1.722 5.536 1.00 0.00 C ATOM 0 H ALA A 732 -2.250 -0.407 7.604 1.00 0.00 H new ATOM 0 HA ALA A 732 0.377 -0.003 6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 732 -0.059 -1.560 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 732 0.082 -2.417 6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.521 -2.139 5.397 1.00 0.00 H new ATOM 666 N ARG A 733 -0.728 1.679 5.026 1.00 0.00 N ATOM 667 CA ARG A 733 -1.359 2.721 4.224 1.00 0.00 C ATOM 668 C ARG A 733 -1.474 2.290 2.765 1.00 0.00 C ATOM 669 O ARG A 733 -0.516 2.394 1.999 1.00 0.00 O ATOM 670 CB ARG A 733 -0.560 4.022 4.322 1.00 0.00 C ATOM 671 CG ARG A 733 -0.349 4.502 5.748 1.00 0.00 C ATOM 672 CD ARG A 733 -1.672 4.804 6.436 1.00 0.00 C ATOM 673 NE ARG A 733 -1.538 5.852 7.444 1.00 0.00 N ATOM 674 CZ ARG A 733 -1.503 7.148 7.157 1.00 0.00 C ATOM 675 NH1 ARG A 733 -1.593 7.554 5.898 1.00 0.00 N ATOM 676 NH2 ARG A 733 -1.380 8.041 8.130 1.00 0.00 N ATOM 0 H ARG A 733 0.258 1.842 5.229 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.363 2.888 4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.411 3.878 3.849 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -1.077 4.799 3.759 1.00 0.00 H new ATOM 0 HG2 ARG A 733 0.191 3.742 6.313 1.00 0.00 H new ATOM 0 HG3 ARG A 733 0.273 5.397 5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -2.407 5.110 5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -2.052 3.896 6.905 1.00 0.00 H new ATOM 0 HE ARG A 733 -1.467 5.573 8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 733 -1.689 6.870 5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 733 -1.566 8.550 5.680 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -1.312 7.732 9.100 1.00 0.00 H new ATOM 0 HH22 ARG A 733 -1.353 9.036 7.908 1.00 0.00 H new ATOM 690 N VAL A 734 -2.652 1.805 2.388 1.00 0.00 N ATOM 691 CA VAL A 734 -2.893 1.359 1.021 1.00 0.00 C ATOM 692 C VAL A 734 -3.721 2.379 0.247 1.00 0.00 C ATOM 693 O VAL A 734 -4.673 2.950 0.778 1.00 0.00 O ATOM 694 CB VAL A 734 -3.617 0.000 0.993 1.00 0.00 C ATOM 695 CG1 VAL A 734 -3.841 -0.458 -0.440 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.830 -1.039 1.777 1.00 0.00 C ATOM 0 H VAL A 734 -3.455 1.711 3.010 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.917 1.253 0.547 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.592 0.118 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.354 -1.420 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.450 0.277 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -2.880 -0.560 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -3.356 -1.993 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.841 -1.156 1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.728 -0.714 2.812 1.00 0.00 H new ATOM 706 N GLU A 735 -3.351 2.603 -1.010 1.00 0.00 N ATOM 707 CA GLU A 735 -4.059 3.556 -1.856 1.00 0.00 C ATOM 708 C GLU A 735 -5.061 2.841 -2.758 1.00 0.00 C ATOM 709 O GLU A 735 -4.689 2.249 -3.772 1.00 0.00 O ATOM 710 CB GLU A 735 -3.068 4.352 -2.707 1.00 0.00 C ATOM 711 CG GLU A 735 -3.733 5.321 -3.670 1.00 0.00 C ATOM 712 CD GLU A 735 -2.799 5.785 -4.770 1.00 0.00 C ATOM 713 OE1 GLU A 735 -1.749 6.379 -4.445 1.00 0.00 O ATOM 714 OE2 GLU A 735 -3.116 5.554 -5.955 1.00 0.00 O ATOM 0 H GLU A 735 -2.565 2.138 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.604 4.243 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.401 4.908 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.449 3.657 -3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -4.605 4.842 -4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -4.094 6.187 -3.116 1.00 0.00 H new ATOM 721 N LEU A 736 -6.334 2.900 -2.382 1.00 0.00 N ATOM 722 CA LEU A 736 -7.391 2.259 -3.157 1.00 0.00 C ATOM 723 C LEU A 736 -7.307 2.656 -4.627 1.00 0.00 C ATOM 724 O LEU A 736 -6.691 3.664 -4.974 1.00 0.00 O ATOM 725 CB LEU A 736 -8.763 2.634 -2.593 1.00 0.00 C ATOM 726 CG LEU A 736 -9.131 2.005 -1.248 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.310 2.735 -0.623 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.446 0.527 -1.419 1.00 0.00 C ATOM 0 H LEU A 736 -6.659 3.385 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.257 1.180 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.807 3.718 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.523 2.353 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.276 2.098 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.558 2.274 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.048 3.781 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.170 2.674 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.706 0.096 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.285 0.411 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.573 0.013 -1.823 1.00 0.00 H new ATOM 740 N HIS A 737 -7.932 1.858 -5.487 1.00 0.00 N ATOM 741 CA HIS A 737 -7.930 2.127 -6.920 1.00 0.00 C ATOM 742 C HIS A 737 -9.237 2.786 -7.351 1.00 0.00 C ATOM 743 O HIS A 737 -9.244 3.678 -8.199 1.00 0.00 O ATOM 744 CB HIS A 737 -7.716 0.832 -7.704 1.00 0.00 C ATOM 745 CG HIS A 737 -6.291 0.372 -7.722 1.00 0.00 C ATOM 746 ND1 HIS A 737 -5.763 -0.403 -8.734 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.281 0.583 -6.846 1.00 0.00 C ATOM 748 CE1 HIS A 737 -4.490 -0.650 -8.478 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.173 -0.062 -7.338 1.00 0.00 N ATOM 0 H HIS A 737 -8.446 1.020 -5.216 1.00 0.00 H new ATOM 0 HA HIS A 737 -7.110 2.812 -7.134 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.337 0.048 -7.271 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -8.055 0.977 -8.730 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.275 -0.734 -9.552 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -5.336 1.153 -5.930 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -3.823 -1.233 -9.095 1.00 0.00 H new ATOM 757 N SER A 738 -10.342 2.340 -6.761 1.00 0.00 N ATOM 758 CA SER A 738 -11.655 2.882 -7.087 1.00 0.00 C ATOM 759 C SER A 738 -11.768 4.337 -6.640 1.00 0.00 C ATOM 760 O SER A 738 -12.124 5.215 -7.426 1.00 0.00 O ATOM 761 CB SER A 738 -12.754 2.047 -6.426 1.00 0.00 C ATOM 762 OG SER A 738 -13.033 0.882 -7.183 1.00 0.00 O ATOM 0 H SER A 738 -10.353 1.604 -6.055 1.00 0.00 H new ATOM 0 HA SER A 738 -11.779 2.841 -8.169 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.445 1.765 -5.419 1.00 0.00 H new ATOM 0 HB3 SER A 738 -13.660 2.645 -6.326 1.00 0.00 H new ATOM 0 HG SER A 738 -13.737 0.364 -6.739 1.00 0.00 H new ATOM 768 N THR A 739 -11.462 4.584 -5.370 1.00 0.00 N ATOM 769 CA THR A 739 -11.530 5.931 -4.816 1.00 0.00 C ATOM 770 C THR A 739 -10.222 6.682 -5.035 1.00 0.00 C ATOM 771 O THR A 739 -10.197 7.913 -5.049 1.00 0.00 O ATOM 772 CB THR A 739 -11.846 5.903 -3.308 1.00 0.00 C ATOM 773 OG1 THR A 739 -10.850 5.143 -2.613 1.00 0.00 O ATOM 774 CG2 THR A 739 -13.219 5.300 -3.054 1.00 0.00 C ATOM 0 H THR A 739 -11.165 3.869 -4.706 1.00 0.00 H new ATOM 0 HA THR A 739 -12.335 6.448 -5.339 1.00 0.00 H new ATOM 0 HB THR A 739 -11.843 6.929 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 739 -10.859 5.384 -1.663 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.420 5.291 -1.983 1.00 0.00 H new ATOM 0 HG22 THR A 739 -13.978 5.897 -3.560 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.245 4.280 -3.437 1.00 0.00 H new ATOM 782 N CYS A 740 -9.138 5.935 -5.208 1.00 0.00 N ATOM 783 CA CYS A 740 -7.825 6.531 -5.428 1.00 0.00 C ATOM 784 C CYS A 740 -7.383 7.337 -4.210 1.00 0.00 C ATOM 785 O CYS A 740 -6.836 8.431 -4.344 1.00 0.00 O ATOM 786 CB CYS A 740 -7.850 7.428 -6.666 1.00 0.00 C ATOM 787 SG CYS A 740 -7.487 6.563 -8.212 1.00 0.00 S ATOM 0 H CYS A 740 -9.142 4.915 -5.200 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.109 5.725 -5.587 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -8.833 7.893 -6.745 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -7.126 8.232 -6.534 1.00 0.00 H new ATOM 0 HG CYS A 740 -8.128 5.432 -8.237 1.00 0.00 H new ATOM 793 N GLN A 741 -7.627 6.788 -3.024 1.00 0.00 N ATOM 794 CA GLN A 741 -7.256 7.457 -1.783 1.00 0.00 C ATOM 795 C GLN A 741 -6.419 6.539 -0.898 1.00 0.00 C ATOM 796 O GLN A 741 -6.515 5.315 -0.989 1.00 0.00 O ATOM 797 CB GLN A 741 -8.508 7.909 -1.029 1.00 0.00 C ATOM 798 CG GLN A 741 -9.172 9.136 -1.633 1.00 0.00 C ATOM 799 CD GLN A 741 -8.337 10.391 -1.469 1.00 0.00 C ATOM 800 OE1 GLN A 741 -7.284 10.372 -0.832 1.00 0.00 O ATOM 801 NE2 GLN A 741 -8.805 11.493 -2.044 1.00 0.00 N ATOM 0 H GLN A 741 -8.079 5.883 -2.897 1.00 0.00 H new ATOM 0 HA GLN A 741 -6.657 8.332 -2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -9.226 7.089 -1.010 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -8.241 8.123 0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -9.354 8.961 -2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -10.144 9.287 -1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -9.683 11.464 -2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -8.287 12.368 -1.967 1.00 0.00 H new ATOM 810 N THR A 742 -5.597 7.138 -0.042 1.00 0.00 N ATOM 811 CA THR A 742 -4.742 6.375 0.858 1.00 0.00 C ATOM 812 C THR A 742 -5.426 6.141 2.200 1.00 0.00 C ATOM 813 O THR A 742 -5.808 7.090 2.886 1.00 0.00 O ATOM 814 CB THR A 742 -3.398 7.089 1.097 1.00 0.00 C ATOM 815 OG1 THR A 742 -2.814 7.465 -0.155 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.437 6.192 1.862 1.00 0.00 C ATOM 0 H THR A 742 -5.506 8.150 0.047 1.00 0.00 H new ATOM 0 HA THR A 742 -4.554 5.415 0.377 1.00 0.00 H new ATOM 0 HB THR A 742 -3.587 7.982 1.692 1.00 0.00 H new ATOM 0 HG1 THR A 742 -1.961 7.920 0.005 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.495 6.718 2.019 1.00 0.00 H new ATOM 0 HG22 THR A 742 -2.872 5.932 2.827 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.254 5.283 1.289 1.00 0.00 H new ATOM 824 N ILE A 743 -5.577 4.874 2.569 1.00 0.00 N ATOM 825 CA ILE A 743 -6.214 4.517 3.831 1.00 0.00 C ATOM 826 C ILE A 743 -5.408 3.455 4.572 1.00 0.00 C ATOM 827 O ILE A 743 -4.851 2.544 3.960 1.00 0.00 O ATOM 828 CB ILE A 743 -7.647 3.997 3.611 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.635 2.785 2.678 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.529 5.100 3.045 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.763 1.811 2.938 1.00 0.00 C ATOM 0 H ILE A 743 -5.267 4.077 2.012 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.254 5.425 4.432 1.00 0.00 H new ATOM 0 HB ILE A 743 -8.058 3.688 4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.695 3.131 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.684 2.264 2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.539 4.718 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.558 5.937 3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.123 5.437 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.692 0.977 2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.692 1.437 3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.719 2.317 2.802 1.00 0.00 H new ATOM 843 N SER A 744 -5.352 3.579 5.894 1.00 0.00 N ATOM 844 CA SER A 744 -4.613 2.631 6.720 1.00 0.00 C ATOM 845 C SER A 744 -5.491 1.443 7.102 1.00 0.00 C ATOM 846 O SER A 744 -6.631 1.613 7.534 1.00 0.00 O ATOM 847 CB SER A 744 -4.091 3.320 7.982 1.00 0.00 C ATOM 848 OG SER A 744 -2.974 2.630 8.515 1.00 0.00 O ATOM 0 H SER A 744 -5.809 4.326 6.416 1.00 0.00 H new ATOM 0 HA SER A 744 -3.767 2.264 6.139 1.00 0.00 H new ATOM 0 HB2 SER A 744 -3.811 4.347 7.750 1.00 0.00 H new ATOM 0 HB3 SER A 744 -4.884 3.367 8.729 1.00 0.00 H new ATOM 0 HG SER A 744 -3.051 2.587 9.491 1.00 0.00 H new ATOM 854 N VAL A 745 -4.951 0.239 6.939 1.00 0.00 N ATOM 855 CA VAL A 745 -5.684 -0.978 7.267 1.00 0.00 C ATOM 856 C VAL A 745 -4.758 -2.033 7.862 1.00 0.00 C ATOM 857 O VAL A 745 -3.577 -2.101 7.520 1.00 0.00 O ATOM 858 CB VAL A 745 -6.383 -1.564 6.026 1.00 0.00 C ATOM 859 CG1 VAL A 745 -7.122 -2.844 6.385 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.332 -0.543 5.418 1.00 0.00 C ATOM 0 H VAL A 745 -4.009 0.081 6.582 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.439 -0.704 8.004 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.624 -1.807 5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.610 -3.244 5.496 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.414 -3.577 6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.873 -2.630 7.145 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.817 -0.974 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -8.088 -0.266 6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.772 0.344 5.123 1.00 0.00 H new ATOM 870 N ASP A 746 -5.302 -2.855 8.752 1.00 0.00 N ATOM 871 CA ASP A 746 -4.525 -3.909 9.394 1.00 0.00 C ATOM 872 C ASP A 746 -3.771 -4.737 8.357 1.00 0.00 C ATOM 873 O ASP A 746 -4.377 -5.349 7.478 1.00 0.00 O ATOM 874 CB ASP A 746 -5.439 -4.815 10.221 1.00 0.00 C ATOM 875 CG ASP A 746 -5.653 -4.292 11.628 1.00 0.00 C ATOM 876 OD1 ASP A 746 -4.760 -3.585 12.139 1.00 0.00 O ATOM 877 OD2 ASP A 746 -6.712 -4.591 12.218 1.00 0.00 O ATOM 0 H ASP A 746 -6.278 -2.812 9.046 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.798 -3.438 10.056 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -6.403 -4.908 9.721 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -5.007 -5.815 10.270 1.00 0.00 H new ATOM 882 N ARG A 747 -2.447 -4.749 8.467 1.00 0.00 N ATOM 883 CA ARG A 747 -1.610 -5.499 7.537 1.00 0.00 C ATOM 884 C ARG A 747 -2.258 -6.833 7.178 1.00 0.00 C ATOM 885 O ARG A 747 -2.293 -7.222 6.011 1.00 0.00 O ATOM 886 CB ARG A 747 -0.226 -5.738 8.143 1.00 0.00 C ATOM 887 CG ARG A 747 0.566 -4.462 8.375 1.00 0.00 C ATOM 888 CD ARG A 747 2.060 -4.739 8.444 1.00 0.00 C ATOM 889 NE ARG A 747 2.459 -5.265 9.747 1.00 0.00 N ATOM 890 CZ ARG A 747 3.583 -5.943 9.953 1.00 0.00 C ATOM 891 NH1 ARG A 747 4.414 -6.176 8.948 1.00 0.00 N ATOM 892 NH2 ARG A 747 3.876 -6.389 11.168 1.00 0.00 N ATOM 0 H ARG A 747 -1.930 -4.248 9.190 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.503 -4.910 6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 747 -0.340 -6.262 9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.342 -6.393 7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.363 -3.755 7.571 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.239 -3.993 9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.333 -5.452 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.609 -3.820 8.240 1.00 0.00 H new ATOM 0 HE ARG A 747 1.841 -5.103 10.542 1.00 0.00 H new ATOM 0 HH11 ARG A 747 4.192 -5.835 8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 747 5.276 -6.697 9.109 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.238 -6.211 11.944 1.00 0.00 H new ATOM 0 HH22 ARG A 747 4.739 -6.909 11.326 1.00 0.00 H new ATOM 906 N GLN A 748 -2.769 -7.528 8.189 1.00 0.00 N ATOM 907 CA GLN A 748 -3.414 -8.819 7.979 1.00 0.00 C ATOM 908 C GLN A 748 -4.693 -8.662 7.164 1.00 0.00 C ATOM 909 O GLN A 748 -4.922 -9.395 6.202 1.00 0.00 O ATOM 910 CB GLN A 748 -3.729 -9.480 9.322 1.00 0.00 C ATOM 911 CG GLN A 748 -3.699 -10.999 9.275 1.00 0.00 C ATOM 912 CD GLN A 748 -5.047 -11.599 8.927 1.00 0.00 C ATOM 913 OE1 GLN A 748 -5.849 -11.906 9.809 1.00 0.00 O ATOM 914 NE2 GLN A 748 -5.304 -11.768 7.635 1.00 0.00 N ATOM 0 H GLN A 748 -2.749 -7.219 9.161 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.726 -9.454 7.422 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -3.011 -9.134 10.065 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -4.714 -9.155 9.655 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -2.961 -11.321 8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -3.374 -11.382 10.242 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -4.610 -11.499 6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -6.195 -12.166 7.340 1.00 0.00 H new ATOM 923 N ARG A 749 -5.525 -7.702 7.556 1.00 0.00 N ATOM 924 CA ARG A 749 -6.782 -7.450 6.862 1.00 0.00 C ATOM 925 C ARG A 749 -6.560 -7.339 5.357 1.00 0.00 C ATOM 926 O ARG A 749 -7.491 -7.502 4.567 1.00 0.00 O ATOM 927 CB ARG A 749 -7.432 -6.169 7.388 1.00 0.00 C ATOM 928 CG ARG A 749 -8.131 -6.345 8.726 1.00 0.00 C ATOM 929 CD ARG A 749 -8.830 -5.067 9.162 1.00 0.00 C ATOM 930 NE ARG A 749 -9.239 -5.118 10.563 1.00 0.00 N ATOM 931 CZ ARG A 749 -9.808 -4.100 11.200 1.00 0.00 C ATOM 932 NH1 ARG A 749 -10.035 -2.959 10.564 1.00 0.00 N ATOM 933 NH2 ARG A 749 -10.152 -4.223 12.476 1.00 0.00 N ATOM 0 H ARG A 749 -5.351 -7.086 8.350 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.448 -8.292 7.052 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.668 -5.398 7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -8.155 -5.811 6.655 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.859 -7.153 8.654 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.403 -6.639 9.482 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -8.163 -4.219 9.010 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -9.706 -4.900 8.535 1.00 0.00 H new ATOM 0 HE ARG A 749 -9.079 -5.982 11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -9.773 -2.861 9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -10.472 -2.179 11.056 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -9.980 -5.099 12.968 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -10.589 -3.441 12.964 1.00 0.00 H new ATOM 947 N LEU A 750 -5.321 -7.060 4.966 1.00 0.00 N ATOM 948 CA LEU A 750 -4.976 -6.927 3.555 1.00 0.00 C ATOM 949 C LEU A 750 -4.497 -8.258 2.983 1.00 0.00 C ATOM 950 O LEU A 750 -3.537 -8.850 3.479 1.00 0.00 O ATOM 951 CB LEU A 750 -3.893 -5.862 3.373 1.00 0.00 C ATOM 952 CG LEU A 750 -4.132 -4.532 4.090 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.836 -3.744 4.199 1.00 0.00 C ATOM 954 CD2 LEU A 750 -5.194 -3.719 3.365 1.00 0.00 C ATOM 0 H LEU A 750 -4.539 -6.922 5.606 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.872 -6.622 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -2.945 -6.273 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.783 -5.663 2.307 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.490 -4.743 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -3.026 -2.801 4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -2.104 -4.323 4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.448 -3.542 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.351 -2.776 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.865 -3.517 2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -6.128 -4.280 3.340 1.00 0.00 H new ATOM 966 N THR A 751 -5.171 -8.722 1.936 1.00 0.00 N ATOM 967 CA THR A 751 -4.814 -9.982 1.295 1.00 0.00 C ATOM 968 C THR A 751 -4.064 -9.743 -0.010 1.00 0.00 C ATOM 969 O THR A 751 -4.652 -9.328 -1.009 1.00 0.00 O ATOM 970 CB THR A 751 -6.061 -10.839 1.008 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.817 -11.023 2.211 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.667 -12.194 0.438 1.00 0.00 C ATOM 0 H THR A 751 -5.967 -8.244 1.514 1.00 0.00 H new ATOM 0 HA THR A 751 -4.166 -10.517 1.989 1.00 0.00 H new ATOM 0 HB THR A 751 -6.672 -10.317 0.272 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.609 -11.567 2.020 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.564 -12.782 0.243 1.00 0.00 H new ATOM 0 HG22 THR A 751 -5.118 -12.051 -0.493 1.00 0.00 H new ATOM 0 HG23 THR A 751 -5.037 -12.721 1.154 1.00 0.00 H new ATOM 980 N THR A 752 -2.761 -10.007 0.004 1.00 0.00 N ATOM 981 CA THR A 752 -1.931 -9.819 -1.179 1.00 0.00 C ATOM 982 C THR A 752 -2.615 -10.372 -2.424 1.00 0.00 C ATOM 983 O THR A 752 -2.937 -11.558 -2.493 1.00 0.00 O ATOM 984 CB THR A 752 -0.559 -10.500 -1.016 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.705 -11.732 -0.301 1.00 0.00 O ATOM 986 CG2 THR A 752 0.412 -9.592 -0.276 1.00 0.00 C ATOM 0 H THR A 752 -2.258 -10.352 0.822 1.00 0.00 H new ATOM 0 HA THR A 752 -1.784 -8.745 -1.295 1.00 0.00 H new ATOM 0 HB THR A 752 -0.159 -10.702 -2.010 1.00 0.00 H new ATOM 0 HG1 THR A 752 0.171 -12.159 -0.203 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.374 -10.095 -0.173 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.544 -8.667 -0.837 1.00 0.00 H new ATOM 0 HG23 THR A 752 0.015 -9.363 0.713 1.00 0.00 H new ATOM 994 N VAL A 753 -2.833 -9.504 -3.407 1.00 0.00 N ATOM 995 CA VAL A 753 -3.478 -9.906 -4.652 1.00 0.00 C ATOM 996 C VAL A 753 -2.476 -10.542 -5.610 1.00 0.00 C ATOM 997 O VAL A 753 -2.715 -10.617 -6.814 1.00 0.00 O ATOM 998 CB VAL A 753 -4.149 -8.708 -5.349 1.00 0.00 C ATOM 999 CG1 VAL A 753 -4.971 -9.175 -6.541 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -5.014 -7.935 -4.365 1.00 0.00 C ATOM 0 H VAL A 753 -2.573 -8.519 -3.366 1.00 0.00 H new ATOM 0 HA VAL A 753 -4.242 -10.639 -4.391 1.00 0.00 H new ATOM 0 HB VAL A 753 -3.369 -8.040 -5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -5.438 -8.315 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -4.321 -9.681 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -5.744 -9.865 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -5.480 -7.092 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.788 -8.592 -3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -4.395 -7.567 -3.547 1.00 0.00 H new