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 728 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 731 THR OG1 : rot 180:sc= -0.775 USER MOD Set 2.1: A 713 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 718 LYS NZ :NH3+ -131:sc= 1.1 (180deg=0.853) USER MOD Single : A 703 ASN : amide:sc= -0.173 K(o=-0.17,f=0.85) USER MOD Single : A 708 GLN : amide:sc= -0.528 K(o=-0.53,f=-1.3) USER MOD Single : A 709 THR OG1 : rot 180:sc= 0 USER MOD Single : A 714 GLN : amide:sc= -0.022 K(o=-0.022,f=-2.5!) 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+ -173:sc= -2.04! (180deg=-2.14!) USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 737 HIS : no HE2:sc= -0.997 K(o=-1,f=-2!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot -75:sc= -1.07 USER MOD Single : A 740 CYS SG : rot 40:sc= 0.789 USER MOD Single : A 741 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 29:sc= 1 USER MOD Single : A 748 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.8!) USER MOD Single : A 751 THR OG1 : rot -160:sc= -0.0881 USER MOD Single : A 752 THR OG1 : rot 180:sc= 0.0028 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 9.803 -0.519 3.867 1.00 0.00 N ATOM 217 CA ASN A 703 8.908 -0.228 2.753 1.00 0.00 C ATOM 218 C ASN A 703 9.016 -1.301 1.674 1.00 0.00 C ATOM 219 O ASN A 703 9.071 -0.995 0.484 1.00 0.00 O ATOM 220 CB ASN A 703 9.231 1.144 2.157 1.00 0.00 C ATOM 221 CG ASN A 703 8.939 2.277 3.122 1.00 0.00 C ATOM 222 OD1 ASN A 703 9.261 2.195 4.308 1.00 0.00 O ATOM 223 ND2 ASN A 703 8.326 3.341 2.617 1.00 0.00 N ATOM 0 HA ASN A 703 7.886 -0.221 3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 703 10.283 1.175 1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 703 8.650 1.287 1.246 1.00 0.00 H new ATOM 0 HD21 ASN A 703 8.103 4.134 3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 703 8.078 3.365 1.628 1.00 0.00 H new ATOM 230 N GLU A 704 9.044 -2.560 2.101 1.00 0.00 N ATOM 231 CA GLU A 704 9.145 -3.679 1.171 1.00 0.00 C ATOM 232 C GLU A 704 7.805 -3.943 0.490 1.00 0.00 C ATOM 233 O GLU A 704 7.683 -3.829 -0.731 1.00 0.00 O ATOM 234 CB GLU A 704 9.615 -4.938 1.902 1.00 0.00 C ATOM 235 CG GLU A 704 10.841 -4.715 2.772 1.00 0.00 C ATOM 236 CD GLU A 704 11.681 -5.968 2.927 1.00 0.00 C ATOM 237 OE1 GLU A 704 11.706 -6.785 1.983 1.00 0.00 O ATOM 238 OE2 GLU A 704 12.314 -6.131 3.991 1.00 0.00 O ATOM 0 H GLU A 704 8.998 -2.830 3.083 1.00 0.00 H new ATOM 0 HA GLU A 704 9.876 -3.418 0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 704 8.802 -5.312 2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 704 9.837 -5.713 1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 704 11.452 -3.924 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 704 10.526 -4.369 3.756 1.00 0.00 H new ATOM 245 N LEU A 705 6.803 -4.297 1.287 1.00 0.00 N ATOM 246 CA LEU A 705 5.471 -4.578 0.762 1.00 0.00 C ATOM 247 C LEU A 705 4.892 -3.353 0.061 1.00 0.00 C ATOM 248 O LEU A 705 3.870 -3.441 -0.620 1.00 0.00 O ATOM 249 CB LEU A 705 4.540 -5.022 1.892 1.00 0.00 C ATOM 250 CG LEU A 705 3.051 -5.085 1.548 1.00 0.00 C ATOM 251 CD1 LEU A 705 2.793 -6.140 0.484 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.228 -5.371 2.796 1.00 0.00 C ATOM 0 H LEU A 705 6.887 -4.396 2.299 1.00 0.00 H new ATOM 0 HA LEU A 705 5.557 -5.383 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 705 4.857 -6.009 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 705 4.670 -4.340 2.732 1.00 0.00 H new ATOM 0 HG LEU A 705 2.748 -4.116 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.728 -6.170 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.354 -5.892 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 705 3.112 -7.115 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.171 -5.412 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.534 -6.326 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.389 -4.579 3.527 1.00 0.00 H new ATOM 264 N ILE A 706 5.553 -2.213 0.232 1.00 0.00 N ATOM 265 CA ILE A 706 5.105 -0.972 -0.386 1.00 0.00 C ATOM 266 C ILE A 706 5.151 -1.068 -1.908 1.00 0.00 C ATOM 267 O ILE A 706 6.225 -1.122 -2.505 1.00 0.00 O ATOM 268 CB ILE A 706 5.962 0.225 0.067 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.614 0.614 1.505 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.762 1.406 -0.871 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.255 -0.566 2.381 1.00 0.00 C ATOM 0 H ILE A 706 6.400 -2.124 0.793 1.00 0.00 H new ATOM 0 HA ILE A 706 4.076 -0.814 -0.064 1.00 0.00 H new ATOM 0 HB ILE A 706 7.012 -0.066 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.462 1.139 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 706 4.778 1.313 1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.374 2.244 -0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 706 6.056 1.122 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.712 1.700 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 706 5.020 -0.215 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.388 -1.079 1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.098 -1.256 2.425 1.00 0.00 H new ATOM 283 N GLY A 707 3.976 -1.086 -2.530 1.00 0.00 N ATOM 284 CA GLY A 707 3.904 -1.174 -3.977 1.00 0.00 C ATOM 285 C GLY A 707 3.191 -2.426 -4.447 1.00 0.00 C ATOM 286 O GLY A 707 2.703 -2.483 -5.575 1.00 0.00 O ATOM 0 H GLY A 707 3.073 -1.041 -2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.386 -0.297 -4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.913 -1.158 -4.390 1.00 0.00 H new ATOM 290 N GLN A 708 3.133 -3.433 -3.581 1.00 0.00 N ATOM 291 CA GLN A 708 2.476 -4.691 -3.916 1.00 0.00 C ATOM 292 C GLN A 708 0.964 -4.513 -3.991 1.00 0.00 C ATOM 293 O GLN A 708 0.409 -3.570 -3.425 1.00 0.00 O ATOM 294 CB GLN A 708 2.824 -5.763 -2.881 1.00 0.00 C ATOM 295 CG GLN A 708 4.314 -5.877 -2.600 1.00 0.00 C ATOM 296 CD GLN A 708 5.159 -5.693 -3.846 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.843 -6.229 -4.909 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.239 -4.931 -3.722 1.00 0.00 N ATOM 0 H GLN A 708 3.533 -3.402 -2.643 1.00 0.00 H new ATOM 0 HA GLN A 708 2.835 -5.010 -4.895 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.303 -5.540 -1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.454 -6.727 -3.230 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.598 -5.130 -1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.524 -6.854 -2.164 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.463 -4.506 -2.822 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.845 -4.770 -4.527 1.00 0.00 H new ATOM 307 N THR A 709 0.299 -5.425 -4.695 1.00 0.00 N ATOM 308 CA THR A 709 -1.149 -5.367 -4.846 1.00 0.00 C ATOM 309 C THR A 709 -1.848 -6.163 -3.750 1.00 0.00 C ATOM 310 O THR A 709 -1.798 -7.393 -3.733 1.00 0.00 O ATOM 311 CB THR A 709 -1.592 -5.907 -6.219 1.00 0.00 C ATOM 312 OG1 THR A 709 -1.045 -5.096 -7.264 1.00 0.00 O ATOM 313 CG2 THR A 709 -3.110 -5.928 -6.327 1.00 0.00 C ATOM 0 H THR A 709 0.741 -6.212 -5.169 1.00 0.00 H new ATOM 0 HA THR A 709 -1.434 -4.318 -4.767 1.00 0.00 H new ATOM 0 HB THR A 709 -1.222 -6.927 -6.321 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.330 -5.447 -8.134 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.400 -6.313 -7.305 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.521 -6.570 -5.548 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.497 -4.916 -6.206 1.00 0.00 H new ATOM 321 N VAL A 710 -2.501 -5.454 -2.835 1.00 0.00 N ATOM 322 CA VAL A 710 -3.213 -6.094 -1.735 1.00 0.00 C ATOM 323 C VAL A 710 -4.719 -5.900 -1.868 1.00 0.00 C ATOM 324 O VAL A 710 -5.182 -4.869 -2.357 1.00 0.00 O ATOM 325 CB VAL A 710 -2.753 -5.543 -0.372 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.287 -5.867 -0.132 1.00 0.00 C ATOM 327 CG2 VAL A 710 -2.996 -4.043 -0.296 1.00 0.00 C ATOM 0 H VAL A 710 -2.552 -4.435 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 710 -2.981 -7.158 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.339 -6.024 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -0.980 -5.470 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.147 -6.948 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.681 -5.416 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.666 -3.670 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.437 -3.543 -1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.060 -3.840 -0.420 1.00 0.00 H new ATOM 337 N ARG A 711 -5.480 -6.898 -1.429 1.00 0.00 N ATOM 338 CA ARG A 711 -6.935 -6.837 -1.499 1.00 0.00 C ATOM 339 C ARG A 711 -7.552 -6.981 -0.112 1.00 0.00 C ATOM 340 O ARG A 711 -7.455 -8.036 0.516 1.00 0.00 O ATOM 341 CB ARG A 711 -7.468 -7.934 -2.422 1.00 0.00 C ATOM 342 CG ARG A 711 -8.985 -7.977 -2.505 1.00 0.00 C ATOM 343 CD ARG A 711 -9.471 -9.259 -3.163 1.00 0.00 C ATOM 344 NE ARG A 711 -10.889 -9.193 -3.508 1.00 0.00 N ATOM 345 CZ ARG A 711 -11.633 -10.263 -3.763 1.00 0.00 C ATOM 346 NH1 ARG A 711 -11.098 -11.475 -3.712 1.00 0.00 N ATOM 347 NH2 ARG A 711 -12.917 -10.122 -4.070 1.00 0.00 N ATOM 0 H ARG A 711 -5.113 -7.758 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.214 -5.864 -1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -7.062 -7.784 -3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -7.104 -8.900 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.408 -7.898 -1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.344 -7.117 -3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -8.887 -9.448 -4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -9.300 -10.099 -2.490 1.00 0.00 H new ATOM 0 HE ARG A 711 -11.332 -8.275 -3.556 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -10.112 -11.588 -3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -11.672 -12.295 -3.908 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -13.333 -9.191 -4.110 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -13.488 -10.944 -4.266 1.00 0.00 H new ATOM 361 N ILE A 712 -8.187 -5.913 0.361 1.00 0.00 N ATOM 362 CA ILE A 712 -8.821 -5.921 1.673 1.00 0.00 C ATOM 363 C ILE A 712 -9.846 -7.044 1.782 1.00 0.00 C ATOM 364 O ILE A 712 -10.541 -7.360 0.817 1.00 0.00 O ATOM 365 CB ILE A 712 -9.514 -4.578 1.972 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.479 -3.454 2.058 1.00 0.00 C ATOM 367 CG2 ILE A 712 -10.313 -4.670 3.263 1.00 0.00 C ATOM 368 CD1 ILE A 712 -9.017 -2.104 1.637 1.00 0.00 C ATOM 0 H ILE A 712 -8.276 -5.032 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 712 -8.029 -6.083 2.404 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.202 -4.351 1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -8.112 -3.387 3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.625 -3.708 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.797 -3.713 3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -11.071 -5.447 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.644 -4.916 4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -8.229 -1.355 1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.358 -2.155 0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.852 -1.828 2.281 1.00 0.00 H new ATOM 380 N SER A 713 -9.936 -7.643 2.966 1.00 0.00 N ATOM 381 CA SER A 713 -10.876 -8.733 3.201 1.00 0.00 C ATOM 382 C SER A 713 -11.886 -8.356 4.280 1.00 0.00 C ATOM 383 O SER A 713 -13.013 -8.850 4.289 1.00 0.00 O ATOM 384 CB SER A 713 -10.125 -10.002 3.610 1.00 0.00 C ATOM 385 OG SER A 713 -10.992 -11.122 3.633 1.00 0.00 O ATOM 0 H SER A 713 -9.370 -7.392 3.776 1.00 0.00 H new ATOM 0 HA SER A 713 -11.416 -8.922 2.273 1.00 0.00 H new ATOM 0 HB2 SER A 713 -9.307 -10.185 2.913 1.00 0.00 H new ATOM 0 HB3 SER A 713 -9.679 -9.863 4.595 1.00 0.00 H new ATOM 0 HG SER A 713 -10.488 -11.920 3.896 1.00 0.00 H new ATOM 391 N GLN A 714 -11.472 -7.479 5.189 1.00 0.00 N ATOM 392 CA GLN A 714 -12.340 -7.036 6.273 1.00 0.00 C ATOM 393 C GLN A 714 -12.625 -5.541 6.167 1.00 0.00 C ATOM 394 O GLN A 714 -12.103 -4.861 5.285 1.00 0.00 O ATOM 395 CB GLN A 714 -11.701 -7.350 7.627 1.00 0.00 C ATOM 396 CG GLN A 714 -11.463 -8.834 7.858 1.00 0.00 C ATOM 397 CD GLN A 714 -12.690 -9.545 8.394 1.00 0.00 C ATOM 398 OE1 GLN A 714 -13.819 -9.230 8.015 1.00 0.00 O ATOM 399 NE2 GLN A 714 -12.475 -10.510 9.280 1.00 0.00 N ATOM 0 H GLN A 714 -10.541 -7.062 5.196 1.00 0.00 H new ATOM 0 HA GLN A 714 -13.284 -7.574 6.191 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -10.750 -6.822 7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -12.342 -6.966 8.420 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -11.158 -9.300 6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -10.639 -8.961 8.560 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -11.522 -10.737 9.565 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -13.262 -11.024 9.675 1.00 0.00 H new ATOM 408 N GLY A 715 -13.457 -5.036 7.073 1.00 0.00 N ATOM 409 CA GLY A 715 -13.797 -3.625 7.063 1.00 0.00 C ATOM 410 C GLY A 715 -14.797 -3.278 5.977 1.00 0.00 C ATOM 411 O GLY A 715 -15.228 -4.133 5.204 1.00 0.00 O ATOM 0 H GLY A 715 -13.901 -5.579 7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -14.208 -3.346 8.033 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.891 -3.037 6.920 1.00 0.00 H new ATOM 415 N PRO A 716 -15.182 -1.995 5.911 1.00 0.00 N ATOM 416 CA PRO A 716 -16.143 -1.507 4.917 1.00 0.00 C ATOM 417 C PRO A 716 -15.567 -1.509 3.505 1.00 0.00 C ATOM 418 O PRO A 716 -16.254 -1.163 2.544 1.00 0.00 O ATOM 419 CB PRO A 716 -16.431 -0.075 5.375 1.00 0.00 C ATOM 420 CG PRO A 716 -15.218 0.329 6.140 1.00 0.00 C ATOM 421 CD PRO A 716 -14.709 -0.921 6.801 1.00 0.00 C ATOM 0 HA PRO A 716 -17.030 -2.138 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.601 0.586 4.525 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -17.325 -0.031 5.997 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -14.464 0.755 5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -15.460 1.091 6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.622 -0.918 6.884 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -15.105 -1.032 7.810 1.00 0.00 H new ATOM 429 N TYR A 717 -14.304 -1.901 3.387 1.00 0.00 N ATOM 430 CA TYR A 717 -13.636 -1.947 2.092 1.00 0.00 C ATOM 431 C TYR A 717 -13.276 -3.380 1.714 1.00 0.00 C ATOM 432 O TYR A 717 -12.276 -3.625 1.038 1.00 0.00 O ATOM 433 CB TYR A 717 -12.374 -1.081 2.115 1.00 0.00 C ATOM 434 CG TYR A 717 -12.641 0.369 2.446 1.00 0.00 C ATOM 435 CD1 TYR A 717 -12.765 0.789 3.765 1.00 0.00 C ATOM 436 CD2 TYR A 717 -12.770 1.320 1.442 1.00 0.00 C ATOM 437 CE1 TYR A 717 -13.010 2.114 4.073 1.00 0.00 C ATOM 438 CE2 TYR A 717 -13.013 2.647 1.740 1.00 0.00 C ATOM 439 CZ TYR A 717 -13.132 3.039 3.058 1.00 0.00 C ATOM 440 OH TYR A 717 -13.376 4.359 3.359 1.00 0.00 O ATOM 0 H TYR A 717 -13.722 -2.192 4.172 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.324 -1.556 1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.677 -1.489 2.846 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -11.886 -1.139 1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -12.668 0.068 4.563 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -12.679 1.017 0.410 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -13.105 2.423 5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -13.109 3.373 0.946 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.433 4.878 2.530 1.00 0.00 H new ATOM 450 N LYS A 718 -14.099 -4.326 2.155 1.00 0.00 N ATOM 451 CA LYS A 718 -13.871 -5.736 1.863 1.00 0.00 C ATOM 452 C LYS A 718 -14.016 -6.013 0.370 1.00 0.00 C ATOM 453 O LYS A 718 -14.990 -5.599 -0.256 1.00 0.00 O ATOM 454 CB LYS A 718 -14.852 -6.606 2.652 1.00 0.00 C ATOM 455 CG LYS A 718 -14.970 -8.024 2.121 1.00 0.00 C ATOM 456 CD LYS A 718 -15.884 -8.871 2.991 1.00 0.00 C ATOM 457 CE LYS A 718 -15.609 -10.356 2.808 1.00 0.00 C ATOM 458 NZ LYS A 718 -14.578 -10.851 3.762 1.00 0.00 N ATOM 0 H LYS A 718 -14.930 -4.141 2.716 1.00 0.00 H new ATOM 0 HA LYS A 718 -12.853 -5.984 2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.535 -6.642 3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -15.836 -6.137 2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.355 -8.001 1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -13.981 -8.481 2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.745 -8.600 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -16.924 -8.659 2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -16.533 -10.917 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -15.277 -10.541 1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -13.861 -11.398 3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -14.124 -10.042 4.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -15.029 -11.458 4.476 1.00 0.00 H new ATOM 472 N GLY A 719 -13.039 -6.717 -0.194 1.00 0.00 N ATOM 473 CA GLY A 719 -13.078 -7.039 -1.608 1.00 0.00 C ATOM 474 C GLY A 719 -12.610 -5.888 -2.477 1.00 0.00 C ATOM 475 O GLY A 719 -13.046 -5.747 -3.620 1.00 0.00 O ATOM 0 H GLY A 719 -12.221 -7.070 0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.452 -7.911 -1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.096 -7.311 -1.888 1.00 0.00 H new ATOM 479 N TYR A 720 -11.723 -5.062 -1.935 1.00 0.00 N ATOM 480 CA TYR A 720 -11.198 -3.915 -2.667 1.00 0.00 C ATOM 481 C TYR A 720 -9.697 -4.056 -2.898 1.00 0.00 C ATOM 482 O TYR A 720 -8.969 -4.548 -2.035 1.00 0.00 O ATOM 483 CB TYR A 720 -11.490 -2.621 -1.905 1.00 0.00 C ATOM 484 CG TYR A 720 -12.863 -2.052 -2.181 1.00 0.00 C ATOM 485 CD1 TYR A 720 -14.009 -2.791 -1.915 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.015 -0.775 -2.708 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.266 -2.275 -2.166 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.267 -0.251 -2.961 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.390 -1.005 -2.689 1.00 0.00 C ATOM 490 OH TYR A 720 -16.640 -0.487 -2.939 1.00 0.00 O ATOM 0 H TYR A 720 -11.352 -5.165 -0.991 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.693 -3.877 -3.637 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.392 -2.809 -0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.738 -1.877 -2.168 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -13.916 -3.786 -1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.138 -0.182 -2.923 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.147 -2.863 -1.954 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.367 0.744 -3.370 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.552 0.418 -3.305 1.00 0.00 H new ATOM 500 N ILE A 721 -9.241 -3.620 -4.067 1.00 0.00 N ATOM 501 CA ILE A 721 -7.827 -3.695 -4.411 1.00 0.00 C ATOM 502 C ILE A 721 -7.131 -2.359 -4.173 1.00 0.00 C ATOM 503 O ILE A 721 -7.756 -1.302 -4.237 1.00 0.00 O ATOM 504 CB ILE A 721 -7.627 -4.110 -5.881 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.334 -5.438 -6.160 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.144 -4.216 -6.204 1.00 0.00 C ATOM 507 CD1 ILE A 721 -7.716 -6.615 -5.439 1.00 0.00 C ATOM 0 H ILE A 721 -9.830 -3.211 -4.792 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.385 -4.453 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 721 -8.065 -3.345 -6.522 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.380 -5.352 -5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.318 -5.630 -7.233 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -6.019 -4.510 -7.246 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.666 -3.250 -6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.683 -4.964 -5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.268 -7.522 -5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -6.677 -6.728 -5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -7.756 -6.445 -4.363 1.00 0.00 H new ATOM 519 N GLY A 722 -5.832 -2.416 -3.898 1.00 0.00 N ATOM 520 CA GLY A 722 -5.071 -1.204 -3.655 1.00 0.00 C ATOM 521 C GLY A 722 -3.578 -1.457 -3.602 1.00 0.00 C ATOM 522 O GLY A 722 -3.139 -2.599 -3.467 1.00 0.00 O ATOM 0 H GLY A 722 -5.293 -3.280 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.286 -0.480 -4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.394 -0.758 -2.714 1.00 0.00 H new ATOM 526 N VAL A 723 -2.794 -0.389 -3.711 1.00 0.00 N ATOM 527 CA VAL A 723 -1.341 -0.501 -3.676 1.00 0.00 C ATOM 528 C VAL A 723 -0.782 0.007 -2.351 1.00 0.00 C ATOM 529 O VAL A 723 -1.016 1.152 -1.965 1.00 0.00 O ATOM 530 CB VAL A 723 -0.689 0.285 -4.830 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.818 0.366 -4.636 1.00 0.00 C ATOM 532 CG2 VAL A 723 -1.029 -0.355 -6.167 1.00 0.00 C ATOM 0 H VAL A 723 -3.141 0.563 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.103 -1.559 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.086 1.300 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.261 0.924 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 723 1.037 0.872 -3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.236 -0.640 -4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.561 0.212 -6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.660 -1.381 -6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -2.110 -0.356 -6.305 1.00 0.00 H new ATOM 542 N VAL A 724 -0.042 -0.853 -1.658 1.00 0.00 N ATOM 543 CA VAL A 724 0.551 -0.491 -0.377 1.00 0.00 C ATOM 544 C VAL A 724 1.562 0.639 -0.539 1.00 0.00 C ATOM 545 O VAL A 724 2.621 0.459 -1.141 1.00 0.00 O ATOM 546 CB VAL A 724 1.248 -1.698 0.279 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.784 -1.324 1.653 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.293 -2.878 0.374 1.00 0.00 C ATOM 0 H VAL A 724 0.161 -1.805 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.263 -0.157 0.266 1.00 0.00 H new ATOM 0 HB VAL A 724 2.091 -1.992 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.273 -2.189 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.504 -0.511 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 724 0.960 -1.003 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 724 0.802 -3.722 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.572 -2.599 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 724 -0.037 -3.160 -0.626 1.00 0.00 H new ATOM 558 N LYS A 725 1.228 1.805 0.004 1.00 0.00 N ATOM 559 CA LYS A 725 2.106 2.967 -0.078 1.00 0.00 C ATOM 560 C LYS A 725 3.043 3.026 1.124 1.00 0.00 C ATOM 561 O LYS A 725 4.206 3.409 0.999 1.00 0.00 O ATOM 562 CB LYS A 725 1.280 4.252 -0.158 1.00 0.00 C ATOM 563 CG LYS A 725 0.135 4.178 -1.153 1.00 0.00 C ATOM 564 CD LYS A 725 0.639 3.941 -2.567 1.00 0.00 C ATOM 565 CE LYS A 725 0.899 5.253 -3.292 1.00 0.00 C ATOM 566 NZ LYS A 725 -0.362 6.000 -3.557 1.00 0.00 N ATOM 0 H LYS A 725 0.355 1.971 0.506 1.00 0.00 H new ATOM 0 HA LYS A 725 2.708 2.873 -0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.878 4.478 0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 725 1.935 5.079 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.544 3.374 -0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -0.437 5.105 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 725 1.557 3.354 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 725 -0.094 3.356 -3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 725 1.569 5.872 -2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 725 1.407 5.052 -4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 -0.157 6.826 -4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 -1.037 5.379 -4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 -0.773 6.317 -2.656 1.00 0.00 H new ATOM 580 N ASP A 726 2.529 2.643 2.288 1.00 0.00 N ATOM 581 CA ASP A 726 3.321 2.650 3.513 1.00 0.00 C ATOM 582 C ASP A 726 2.972 1.454 4.392 1.00 0.00 C ATOM 583 O ASP A 726 1.818 1.032 4.454 1.00 0.00 O ATOM 584 CB ASP A 726 3.093 3.951 4.285 1.00 0.00 C ATOM 585 CG ASP A 726 4.309 4.367 5.090 1.00 0.00 C ATOM 586 OD1 ASP A 726 4.839 3.524 5.844 1.00 0.00 O ATOM 587 OD2 ASP A 726 4.731 5.535 4.965 1.00 0.00 O ATOM 0 H ASP A 726 1.568 2.324 2.409 1.00 0.00 H new ATOM 0 HA ASP A 726 4.373 2.580 3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.835 4.745 3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.242 3.828 4.955 1.00 0.00 H new ATOM 592 N ALA A 727 3.978 0.911 5.070 1.00 0.00 N ATOM 593 CA ALA A 727 3.778 -0.236 5.947 1.00 0.00 C ATOM 594 C ALA A 727 4.016 0.139 7.406 1.00 0.00 C ATOM 595 O ALA A 727 5.138 0.462 7.800 1.00 0.00 O ATOM 596 CB ALA A 727 4.694 -1.380 5.538 1.00 0.00 C ATOM 0 H ALA A 727 4.940 1.247 5.029 1.00 0.00 H new ATOM 0 HA ALA A 727 2.742 -0.561 5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.534 -2.230 6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.473 -1.674 4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.733 -1.057 5.607 1.00 0.00 H new ATOM 602 N THR A 728 2.955 0.096 8.205 1.00 0.00 N ATOM 603 CA THR A 728 3.048 0.433 9.619 1.00 0.00 C ATOM 604 C THR A 728 3.216 -0.818 10.473 1.00 0.00 C ATOM 605 O THR A 728 3.080 -1.938 9.981 1.00 0.00 O ATOM 606 CB THR A 728 1.803 1.204 10.097 1.00 0.00 C ATOM 607 OG1 THR A 728 1.301 2.027 9.039 1.00 0.00 O ATOM 608 CG2 THR A 728 2.132 2.067 11.306 1.00 0.00 C ATOM 0 H THR A 728 2.020 -0.169 7.896 1.00 0.00 H new ATOM 0 HA THR A 728 3.926 1.069 9.734 1.00 0.00 H new ATOM 0 HB THR A 728 1.042 0.479 10.385 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.509 2.513 9.350 1.00 0.00 H new ATOM 0 HG21 THR A 728 1.238 2.602 11.625 1.00 0.00 H new ATOM 0 HG22 THR A 728 2.486 1.434 12.119 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.908 2.785 11.040 1.00 0.00 H new ATOM 616 N GLU A 729 3.511 -0.620 11.754 1.00 0.00 N ATOM 617 CA GLU A 729 3.697 -1.735 12.676 1.00 0.00 C ATOM 618 C GLU A 729 2.408 -2.540 12.823 1.00 0.00 C ATOM 619 O GLU A 729 2.414 -3.766 12.720 1.00 0.00 O ATOM 620 CB GLU A 729 4.151 -1.224 14.044 1.00 0.00 C ATOM 621 CG GLU A 729 3.160 -0.278 14.701 1.00 0.00 C ATOM 622 CD GLU A 729 3.654 0.252 16.033 1.00 0.00 C ATOM 623 OE1 GLU A 729 4.814 0.711 16.095 1.00 0.00 O ATOM 624 OE2 GLU A 729 2.881 0.208 17.013 1.00 0.00 O ATOM 0 H GLU A 729 3.626 0.301 12.177 1.00 0.00 H new ATOM 0 HA GLU A 729 4.468 -2.388 12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 729 4.319 -2.076 14.703 1.00 0.00 H new ATOM 0 HB3 GLU A 729 5.108 -0.714 13.933 1.00 0.00 H new ATOM 0 HG2 GLU A 729 2.964 0.559 14.031 1.00 0.00 H new ATOM 0 HG3 GLU A 729 2.213 -0.796 14.849 1.00 0.00 H new ATOM 631 N SER A 730 1.305 -1.839 13.067 1.00 0.00 N ATOM 632 CA SER A 730 0.009 -2.487 13.233 1.00 0.00 C ATOM 633 C SER A 730 -0.989 -1.981 12.196 1.00 0.00 C ATOM 634 O SER A 730 -2.194 -2.200 12.318 1.00 0.00 O ATOM 635 CB SER A 730 -0.532 -2.238 14.643 1.00 0.00 C ATOM 636 OG SER A 730 0.340 -2.770 15.625 1.00 0.00 O ATOM 0 H SER A 730 1.283 -0.823 13.154 1.00 0.00 H new ATOM 0 HA SER A 730 0.145 -3.559 13.087 1.00 0.00 H new ATOM 0 HB2 SER A 730 -0.656 -1.167 14.804 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.518 -2.692 14.743 1.00 0.00 H new ATOM 0 HG SER A 730 -0.027 -2.596 16.517 1.00 0.00 H new ATOM 642 N THR A 731 -0.477 -1.303 11.174 1.00 0.00 N ATOM 643 CA THR A 731 -1.322 -0.764 10.115 1.00 0.00 C ATOM 644 C THR A 731 -0.568 -0.695 8.792 1.00 0.00 C ATOM 645 O THR A 731 0.635 -0.950 8.738 1.00 0.00 O ATOM 646 CB THR A 731 -1.840 0.642 10.471 1.00 0.00 C ATOM 647 OG1 THR A 731 -0.896 1.314 11.313 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.186 0.560 11.175 1.00 0.00 C ATOM 0 H THR A 731 0.518 -1.114 11.057 1.00 0.00 H new ATOM 0 HA THR A 731 -2.170 -1.441 10.012 1.00 0.00 H new ATOM 0 HB THR A 731 -1.965 1.204 9.545 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.232 2.208 11.533 1.00 0.00 H new ATOM 0 HG21 THR A 731 -3.532 1.565 11.417 1.00 0.00 H new ATOM 0 HG22 THR A 731 -3.910 0.075 10.521 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.082 -0.018 12.093 1.00 0.00 H new ATOM 656 N ALA A 732 -1.283 -0.349 7.726 1.00 0.00 N ATOM 657 CA ALA A 732 -0.680 -0.244 6.403 1.00 0.00 C ATOM 658 C ALA A 732 -1.474 0.705 5.512 1.00 0.00 C ATOM 659 O ALA A 732 -2.643 0.459 5.214 1.00 0.00 O ATOM 660 CB ALA A 732 -0.581 -1.618 5.758 1.00 0.00 C ATOM 0 H ALA A 732 -2.280 -0.137 7.753 1.00 0.00 H new ATOM 0 HA ALA A 732 0.324 0.164 6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 732 -0.129 -1.525 4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 732 0.035 -2.268 6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.578 -2.047 5.661 1.00 0.00 H new ATOM 666 N ARG A 733 -0.833 1.790 5.091 1.00 0.00 N ATOM 667 CA ARG A 733 -1.480 2.777 4.235 1.00 0.00 C ATOM 668 C ARG A 733 -1.463 2.328 2.777 1.00 0.00 C ATOM 669 O ARG A 733 -0.438 2.416 2.102 1.00 0.00 O ATOM 670 CB ARG A 733 -0.787 4.134 4.370 1.00 0.00 C ATOM 671 CG ARG A 733 -1.242 4.933 5.581 1.00 0.00 C ATOM 672 CD ARG A 733 -0.822 4.263 6.880 1.00 0.00 C ATOM 673 NE ARG A 733 0.611 4.401 7.129 1.00 0.00 N ATOM 674 CZ ARG A 733 1.159 5.473 7.691 1.00 0.00 C ATOM 675 NH1 ARG A 733 0.398 6.494 8.061 1.00 0.00 N ATOM 676 NH2 ARG A 733 2.470 5.524 7.885 1.00 0.00 N ATOM 0 H ARG A 733 0.135 2.008 5.329 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.517 2.873 4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.290 3.978 4.432 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -0.973 4.719 3.469 1.00 0.00 H new ATOM 0 HG2 ARG A 733 -0.820 5.937 5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 733 -2.326 5.041 5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -1.378 4.700 7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -1.083 3.205 6.843 1.00 0.00 H new ATOM 0 HE ARG A 733 1.224 3.633 6.857 1.00 0.00 H new ATOM 0 HH11 ARG A 733 -0.611 6.458 7.914 1.00 0.00 H new ATOM 0 HH12 ARG A 733 0.821 7.316 8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 733 3.058 4.740 7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 733 2.890 6.347 8.316 1.00 0.00 H new ATOM 690 N VAL A 734 -2.605 1.844 2.299 1.00 0.00 N ATOM 691 CA VAL A 734 -2.722 1.381 0.921 1.00 0.00 C ATOM 692 C VAL A 734 -3.627 2.299 0.108 1.00 0.00 C ATOM 693 O VAL A 734 -4.679 2.728 0.581 1.00 0.00 O ATOM 694 CB VAL A 734 -3.274 -0.056 0.857 1.00 0.00 C ATOM 695 CG1 VAL A 734 -3.612 -0.434 -0.577 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.276 -1.036 1.454 1.00 0.00 C ATOM 0 H VAL A 734 -3.462 1.762 2.846 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.719 1.396 0.495 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.190 -0.102 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.000 -1.452 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.365 0.252 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -2.713 -0.373 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -2.682 -2.046 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.342 -0.990 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.088 -0.775 2.495 1.00 0.00 H new ATOM 706 N GLU A 735 -3.211 2.595 -1.120 1.00 0.00 N ATOM 707 CA GLU A 735 -3.986 3.463 -1.999 1.00 0.00 C ATOM 708 C GLU A 735 -4.968 2.650 -2.838 1.00 0.00 C ATOM 709 O GLU A 735 -4.588 2.029 -3.831 1.00 0.00 O ATOM 710 CB GLU A 735 -3.054 4.260 -2.915 1.00 0.00 C ATOM 711 CG GLU A 735 -3.788 5.124 -3.927 1.00 0.00 C ATOM 712 CD GLU A 735 -3.002 5.317 -5.209 1.00 0.00 C ATOM 713 OE1 GLU A 735 -2.360 4.347 -5.664 1.00 0.00 O ATOM 714 OE2 GLU A 735 -3.028 6.439 -5.757 1.00 0.00 O ATOM 0 H GLU A 735 -2.343 2.247 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.553 4.156 -1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.414 4.896 -2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.401 3.568 -3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -4.749 4.666 -4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -3.998 6.098 -3.484 1.00 0.00 H new ATOM 721 N LEU A 736 -6.232 2.660 -2.431 1.00 0.00 N ATOM 722 CA LEU A 736 -7.271 1.924 -3.143 1.00 0.00 C ATOM 723 C LEU A 736 -7.244 2.249 -4.633 1.00 0.00 C ATOM 724 O LEU A 736 -6.760 3.306 -5.040 1.00 0.00 O ATOM 725 CB LEU A 736 -8.647 2.254 -2.563 1.00 0.00 C ATOM 726 CG LEU A 736 -9.024 1.523 -1.273 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.174 2.232 -0.575 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.388 0.075 -1.567 1.00 0.00 C ATOM 0 H LEU A 736 -6.563 3.170 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.077 0.859 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.693 3.327 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.401 2.030 -3.318 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.161 1.532 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.429 1.698 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -9.878 3.252 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.041 2.255 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.653 -0.429 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.236 0.045 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.536 -0.429 -2.023 1.00 0.00 H new ATOM 740 N HIS A 737 -7.769 1.334 -5.443 1.00 0.00 N ATOM 741 CA HIS A 737 -7.807 1.525 -6.888 1.00 0.00 C ATOM 742 C HIS A 737 -9.037 2.330 -7.298 1.00 0.00 C ATOM 743 O HIS A 737 -8.964 3.193 -8.172 1.00 0.00 O ATOM 744 CB HIS A 737 -7.807 0.173 -7.603 1.00 0.00 C ATOM 745 CG HIS A 737 -6.450 -0.453 -7.699 1.00 0.00 C ATOM 746 ND1 HIS A 737 -6.143 -1.447 -8.604 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.316 -0.220 -6.999 1.00 0.00 C ATOM 748 CE1 HIS A 737 -4.878 -1.799 -8.455 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.354 -1.069 -7.487 1.00 0.00 N ATOM 0 H HIS A 737 -8.173 0.454 -5.123 1.00 0.00 H new ATOM 0 HA HIS A 737 -6.916 2.082 -7.179 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.476 -0.508 -7.076 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -8.210 0.302 -8.607 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.791 -1.848 -9.282 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -5.191 0.500 -6.204 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -4.361 -2.555 -9.027 1.00 0.00 H new ATOM 757 N SER A 738 -10.167 2.040 -6.660 1.00 0.00 N ATOM 758 CA SER A 738 -11.414 2.734 -6.961 1.00 0.00 C ATOM 759 C SER A 738 -11.365 4.178 -6.471 1.00 0.00 C ATOM 760 O SER A 738 -11.298 5.115 -7.268 1.00 0.00 O ATOM 761 CB SER A 738 -12.596 2.005 -6.317 1.00 0.00 C ATOM 762 OG SER A 738 -12.703 0.679 -6.804 1.00 0.00 O ATOM 0 H SER A 738 -10.244 1.330 -5.932 1.00 0.00 H new ATOM 0 HA SER A 738 -11.545 2.740 -8.043 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.472 1.989 -5.234 1.00 0.00 H new ATOM 0 HB3 SER A 738 -13.519 2.547 -6.524 1.00 0.00 H new ATOM 0 HG SER A 738 -13.464 0.234 -6.376 1.00 0.00 H new ATOM 768 N THR A 739 -11.397 4.351 -5.153 1.00 0.00 N ATOM 769 CA THR A 739 -11.358 5.679 -4.556 1.00 0.00 C ATOM 770 C THR A 739 -10.062 6.402 -4.907 1.00 0.00 C ATOM 771 O THR A 739 -10.006 7.632 -4.905 1.00 0.00 O ATOM 772 CB THR A 739 -11.494 5.610 -3.023 1.00 0.00 C ATOM 773 OG1 THR A 739 -10.494 4.741 -2.481 1.00 0.00 O ATOM 774 CG2 THR A 739 -12.875 5.113 -2.624 1.00 0.00 C ATOM 0 H THR A 739 -11.450 3.587 -4.479 1.00 0.00 H new ATOM 0 HA THR A 739 -12.203 6.234 -4.964 1.00 0.00 H new ATOM 0 HB THR A 739 -11.357 6.615 -2.623 1.00 0.00 H new ATOM 0 HG1 THR A 739 -10.741 3.809 -2.656 1.00 0.00 H new ATOM 0 HG21 THR A 739 -12.947 5.073 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 739 -13.633 5.793 -3.013 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.036 4.117 -3.036 1.00 0.00 H new ATOM 782 N CYS A 740 -9.024 5.631 -5.209 1.00 0.00 N ATOM 783 CA CYS A 740 -7.727 6.198 -5.563 1.00 0.00 C ATOM 784 C CYS A 740 -7.183 7.061 -4.429 1.00 0.00 C ATOM 785 O CYS A 740 -6.584 8.109 -4.667 1.00 0.00 O ATOM 786 CB CYS A 740 -7.843 7.029 -6.842 1.00 0.00 C ATOM 787 SG CYS A 740 -7.581 6.086 -8.362 1.00 0.00 S ATOM 0 H CYS A 740 -9.055 4.611 -5.216 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.033 5.375 -5.734 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -8.832 7.486 -6.877 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -7.117 7.841 -6.802 1.00 0.00 H new ATOM 0 HG CYS A 740 -8.149 4.922 -8.254 1.00 0.00 H new ATOM 793 N GLN A 741 -7.398 6.612 -3.197 1.00 0.00 N ATOM 794 CA GLN A 741 -6.931 7.345 -2.026 1.00 0.00 C ATOM 795 C GLN A 741 -6.272 6.405 -1.022 1.00 0.00 C ATOM 796 O GLN A 741 -6.558 5.207 -0.996 1.00 0.00 O ATOM 797 CB GLN A 741 -8.095 8.083 -1.362 1.00 0.00 C ATOM 798 CG GLN A 741 -9.005 7.178 -0.548 1.00 0.00 C ATOM 799 CD GLN A 741 -9.915 7.951 0.385 1.00 0.00 C ATOM 800 OE1 GLN A 741 -9.877 7.767 1.602 1.00 0.00 O ATOM 801 NE2 GLN A 741 -10.740 8.824 -0.181 1.00 0.00 N ATOM 0 H GLN A 741 -7.892 5.745 -2.984 1.00 0.00 H new ATOM 0 HA GLN A 741 -6.190 8.072 -2.357 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -7.697 8.863 -0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -8.685 8.580 -2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -9.612 6.576 -1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -8.396 6.487 0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -10.738 8.945 -1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -11.375 9.374 0.397 1.00 0.00 H new ATOM 810 N THR A 742 -5.386 6.954 -0.197 1.00 0.00 N ATOM 811 CA THR A 742 -4.684 6.165 0.807 1.00 0.00 C ATOM 812 C THR A 742 -5.545 5.964 2.049 1.00 0.00 C ATOM 813 O THR A 742 -6.226 6.886 2.499 1.00 0.00 O ATOM 814 CB THR A 742 -3.357 6.830 1.218 1.00 0.00 C ATOM 815 OG1 THR A 742 -2.546 7.061 0.061 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.600 5.960 2.210 1.00 0.00 C ATOM 0 H THR A 742 -5.138 7.943 -0.205 1.00 0.00 H new ATOM 0 HA THR A 742 -4.471 5.196 0.355 1.00 0.00 H new ATOM 0 HB THR A 742 -3.586 7.782 1.696 1.00 0.00 H new ATOM 0 HG1 THR A 742 -1.705 7.486 0.331 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.666 6.450 2.486 1.00 0.00 H new ATOM 0 HG22 THR A 742 -3.209 5.811 3.102 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.382 4.994 1.754 1.00 0.00 H new ATOM 824 N ILE A 743 -5.510 4.755 2.598 1.00 0.00 N ATOM 825 CA ILE A 743 -6.286 4.435 3.790 1.00 0.00 C ATOM 826 C ILE A 743 -5.498 3.533 4.733 1.00 0.00 C ATOM 827 O ILE A 743 -4.758 2.653 4.293 1.00 0.00 O ATOM 828 CB ILE A 743 -7.615 3.745 3.427 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.356 2.524 2.541 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.547 4.724 2.730 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.433 1.467 2.639 1.00 0.00 C ATOM 0 H ILE A 743 -4.953 3.981 2.237 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.501 5.379 4.290 1.00 0.00 H new ATOM 0 HB ILE A 743 -8.095 3.408 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.271 2.849 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.398 2.082 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.481 4.222 2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.753 5.565 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.075 5.088 1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.184 0.632 1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.504 1.114 3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.389 1.893 2.335 1.00 0.00 H new ATOM 843 N SER A 744 -5.665 3.755 6.033 1.00 0.00 N ATOM 844 CA SER A 744 -4.968 2.964 7.040 1.00 0.00 C ATOM 845 C SER A 744 -5.733 1.680 7.347 1.00 0.00 C ATOM 846 O SER A 744 -6.826 1.716 7.914 1.00 0.00 O ATOM 847 CB SER A 744 -4.781 3.779 8.321 1.00 0.00 C ATOM 848 OG SER A 744 -6.022 4.011 8.963 1.00 0.00 O ATOM 0 H SER A 744 -6.277 4.477 6.413 1.00 0.00 H new ATOM 0 HA SER A 744 -3.989 2.697 6.643 1.00 0.00 H new ATOM 0 HB2 SER A 744 -4.111 3.249 8.998 1.00 0.00 H new ATOM 0 HB3 SER A 744 -4.307 4.731 8.084 1.00 0.00 H new ATOM 0 HG SER A 744 -6.640 3.280 8.754 1.00 0.00 H new ATOM 854 N VAL A 745 -5.151 0.546 6.969 1.00 0.00 N ATOM 855 CA VAL A 745 -5.777 -0.749 7.205 1.00 0.00 C ATOM 856 C VAL A 745 -4.823 -1.697 7.924 1.00 0.00 C ATOM 857 O VAL A 745 -3.609 -1.643 7.723 1.00 0.00 O ATOM 858 CB VAL A 745 -6.233 -1.401 5.886 1.00 0.00 C ATOM 859 CG1 VAL A 745 -6.947 -2.716 6.158 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.128 -0.450 5.105 1.00 0.00 C ATOM 0 H VAL A 745 -4.247 0.498 6.498 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.649 -0.569 7.833 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.351 -1.614 5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.261 -3.161 5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.270 -3.398 6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.822 -2.533 6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.441 -0.926 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -8.007 -0.205 5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.578 0.463 4.877 1.00 0.00 H new ATOM 870 N ASP A 746 -5.380 -2.565 8.761 1.00 0.00 N ATOM 871 CA ASP A 746 -4.579 -3.527 9.509 1.00 0.00 C ATOM 872 C ASP A 746 -3.768 -4.410 8.566 1.00 0.00 C ATOM 873 O ASP A 746 -4.313 -5.009 7.639 1.00 0.00 O ATOM 874 CB ASP A 746 -5.478 -4.394 10.392 1.00 0.00 C ATOM 875 CG ASP A 746 -4.688 -5.228 11.381 1.00 0.00 C ATOM 876 OD1 ASP A 746 -3.522 -4.876 11.656 1.00 0.00 O ATOM 877 OD2 ASP A 746 -5.236 -6.233 11.881 1.00 0.00 O ATOM 0 H ASP A 746 -6.383 -2.622 8.939 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.887 -2.971 10.142 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -6.174 -3.755 10.935 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -6.075 -5.053 9.761 1.00 0.00 H new ATOM 882 N ARG A 747 -2.464 -4.484 8.808 1.00 0.00 N ATOM 883 CA ARG A 747 -1.577 -5.291 7.978 1.00 0.00 C ATOM 884 C ARG A 747 -2.153 -6.688 7.768 1.00 0.00 C ATOM 885 O ARG A 747 -1.851 -7.350 6.775 1.00 0.00 O ATOM 886 CB ARG A 747 -0.192 -5.390 8.621 1.00 0.00 C ATOM 887 CG ARG A 747 0.500 -4.047 8.787 1.00 0.00 C ATOM 888 CD ARG A 747 2.012 -4.186 8.711 1.00 0.00 C ATOM 889 NE ARG A 747 2.599 -4.494 10.012 1.00 0.00 N ATOM 890 CZ ARG A 747 3.773 -5.097 10.164 1.00 0.00 C ATOM 891 NH1 ARG A 747 4.482 -5.454 9.102 1.00 0.00 N ATOM 892 NH2 ARG A 747 4.241 -5.343 11.382 1.00 0.00 N ATOM 0 H ARG A 747 -1.998 -3.995 9.572 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.485 -4.804 7.007 1.00 0.00 H new ATOM 0 HB2 ARG A 747 -0.287 -5.863 9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.436 -6.040 8.012 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.157 -3.362 8.012 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.222 -3.609 9.746 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.269 -4.973 8.002 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.442 -3.260 8.329 1.00 0.00 H new ATOM 0 HE ARG A 747 2.079 -4.232 10.850 1.00 0.00 H new ATOM 0 HH11 ARG A 747 4.126 -5.266 8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 747 5.383 -5.917 9.222 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.699 -5.069 12.202 1.00 0.00 H new ATOM 0 HH22 ARG A 747 5.142 -5.806 11.498 1.00 0.00 H new ATOM 906 N GLN A 748 -2.982 -7.129 8.708 1.00 0.00 N ATOM 907 CA GLN A 748 -3.599 -8.448 8.625 1.00 0.00 C ATOM 908 C GLN A 748 -4.864 -8.405 7.775 1.00 0.00 C ATOM 909 O GLN A 748 -5.098 -9.285 6.947 1.00 0.00 O ATOM 910 CB GLN A 748 -3.927 -8.969 10.025 1.00 0.00 C ATOM 911 CG GLN A 748 -2.765 -9.683 10.697 1.00 0.00 C ATOM 912 CD GLN A 748 -2.550 -11.084 10.159 1.00 0.00 C ATOM 913 OE1 GLN A 748 -2.115 -11.264 9.022 1.00 0.00 O ATOM 914 NE2 GLN A 748 -2.856 -12.085 10.976 1.00 0.00 N ATOM 0 H GLN A 748 -3.242 -6.593 9.536 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.889 -9.125 8.151 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -4.239 -8.133 10.651 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -4.774 -9.652 9.960 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -1.855 -9.100 10.556 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -2.947 -9.734 11.770 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -3.214 -11.889 11.911 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -2.733 -13.050 10.669 1.00 0.00 H new ATOM 923 N ARG A 749 -5.678 -7.376 7.987 1.00 0.00 N ATOM 924 CA ARG A 749 -6.921 -7.219 7.241 1.00 0.00 C ATOM 925 C ARG A 749 -6.650 -7.147 5.741 1.00 0.00 C ATOM 926 O ARG A 749 -7.572 -7.227 4.928 1.00 0.00 O ATOM 927 CB ARG A 749 -7.659 -5.959 7.698 1.00 0.00 C ATOM 928 CG ARG A 749 -8.457 -6.151 8.978 1.00 0.00 C ATOM 929 CD ARG A 749 -9.486 -5.047 9.163 1.00 0.00 C ATOM 930 NE ARG A 749 -8.861 -3.754 9.426 1.00 0.00 N ATOM 931 CZ ARG A 749 -9.470 -2.590 9.232 1.00 0.00 C ATOM 932 NH1 ARG A 749 -10.715 -2.557 8.776 1.00 0.00 N ATOM 933 NH2 ARG A 749 -8.835 -1.455 9.495 1.00 0.00 N ATOM 0 H ARG A 749 -5.499 -6.639 8.669 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.546 -8.090 7.438 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.935 -5.158 7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -8.333 -5.635 6.905 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.959 -7.118 8.953 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.780 -6.165 9.832 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -10.105 -4.975 8.269 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -10.149 -5.304 9.989 1.00 0.00 H new ATOM 0 HE ARG A 749 -7.904 -3.744 9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -11.207 -3.427 8.573 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -11.180 -1.661 8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -7.878 -1.476 9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -9.304 -0.562 9.345 1.00 0.00 H new ATOM 947 N LEU A 750 -5.381 -6.994 5.382 1.00 0.00 N ATOM 948 CA LEU A 750 -4.987 -6.910 3.979 1.00 0.00 C ATOM 949 C LEU A 750 -4.537 -8.271 3.458 1.00 0.00 C ATOM 950 O LEU A 750 -3.675 -8.921 4.049 1.00 0.00 O ATOM 951 CB LEU A 750 -3.863 -5.888 3.804 1.00 0.00 C ATOM 952 CG LEU A 750 -4.130 -4.494 4.374 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.830 -3.716 4.512 1.00 0.00 C ATOM 954 CD2 LEU A 750 -5.115 -3.738 3.495 1.00 0.00 C ATOM 0 H LEU A 750 -4.607 -6.925 6.042 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.854 -6.589 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -2.962 -6.284 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.651 -5.789 2.739 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.570 -4.606 5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -3.039 -2.727 4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -2.156 -4.249 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.361 -3.614 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.293 -2.748 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.703 -3.637 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -6.056 -4.287 3.447 1.00 0.00 H new ATOM 966 N THR A 751 -5.127 -8.697 2.344 1.00 0.00 N ATOM 967 CA THR A 751 -4.786 -9.980 1.742 1.00 0.00 C ATOM 968 C THR A 751 -3.916 -9.792 0.504 1.00 0.00 C ATOM 969 O THR A 751 -4.407 -9.420 -0.562 1.00 0.00 O ATOM 970 CB THR A 751 -6.049 -10.771 1.353 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.960 -10.813 2.457 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.692 -12.187 0.929 1.00 0.00 C ATOM 0 H THR A 751 -5.843 -8.172 1.841 1.00 0.00 H new ATOM 0 HA THR A 751 -4.230 -10.543 2.491 1.00 0.00 H new ATOM 0 HB THR A 751 -6.522 -10.266 0.511 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.590 -11.553 2.333 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.600 -12.726 0.659 1.00 0.00 H new ATOM 0 HG22 THR A 751 -5.022 -12.152 0.070 1.00 0.00 H new ATOM 0 HG23 THR A 751 -5.197 -12.700 1.754 1.00 0.00 H new ATOM 980 N THR A 752 -2.621 -10.054 0.651 1.00 0.00 N ATOM 981 CA THR A 752 -1.683 -9.913 -0.455 1.00 0.00 C ATOM 982 C THR A 752 -2.214 -10.586 -1.715 1.00 0.00 C ATOM 983 O THR A 752 -2.484 -11.788 -1.723 1.00 0.00 O ATOM 984 CB THR A 752 -0.309 -10.515 -0.105 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.479 -11.719 0.651 1.00 0.00 O ATOM 986 CG2 THR A 752 0.530 -9.525 0.689 1.00 0.00 C ATOM 0 H THR A 752 -2.198 -10.365 1.526 1.00 0.00 H new ATOM 0 HA THR A 752 -1.568 -8.845 -0.638 1.00 0.00 H new ATOM 0 HB THR A 752 0.211 -10.742 -1.036 1.00 0.00 H new ATOM 0 HG1 THR A 752 0.399 -12.096 0.868 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.495 -9.973 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.683 -8.622 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 752 0.013 -9.270 1.614 1.00 0.00 H new ATOM 994 N VAL A 753 -2.361 -9.805 -2.780 1.00 0.00 N ATOM 995 CA VAL A 753 -2.859 -10.326 -4.048 1.00 0.00 C ATOM 996 C VAL A 753 -1.738 -10.973 -4.854 1.00 0.00 C ATOM 997 O VAL A 753 -0.561 -10.835 -4.523 1.00 0.00 O ATOM 998 CB VAL A 753 -3.510 -9.217 -4.894 1.00 0.00 C ATOM 999 CG1 VAL A 753 -4.315 -9.819 -6.037 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -4.387 -8.328 -4.024 1.00 0.00 C ATOM 0 H VAL A 753 -2.142 -8.809 -2.790 1.00 0.00 H new ATOM 0 HA VAL A 753 -3.611 -11.078 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 753 -2.720 -8.601 -5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -4.768 -9.020 -6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.657 -10.409 -6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -5.098 -10.460 -5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -4.839 -7.550 -4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.172 -8.929 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -3.779 -7.868 -3.245 1.00 0.00 H new