USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=15 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 USER MOD Set 1.2: A 714 GLN : amide:sc= -3.86! C(o=-3.9!,f=-5.4!) USER MOD Single : A 703 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.9!) USER MOD Single : A 708 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.69) USER MOD Single : A 709 THR OG1 : rot 180:sc= 0 USER MOD Single : A 717 TYR OH : rot 180:sc= 0 USER MOD Single : A 718 LYS NZ :NH3+ 180:sc= 0 (180deg=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= -0.947 USER MOD Single : A 737 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-4!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot 80:sc= -0.659 USER MOD Single : A 740 CYS SG : rot 46:sc= 1.28 USER MOD Single : A 741 GLN : amide:sc= -0.0861 X(o=-0.086,f=-0.086) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 38:sc= 0.473 USER MOD Single : A 748 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 THR OG1 : rot 42:sc= 0.0634 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 10.102 -0.847 3.404 1.00 0.00 N ATOM 217 CA ASN A 703 9.304 -0.407 2.266 1.00 0.00 C ATOM 218 C ASN A 703 9.295 -1.464 1.166 1.00 0.00 C ATOM 219 O ASN A 703 9.165 -1.144 -0.015 1.00 0.00 O ATOM 220 CB ASN A 703 9.847 0.913 1.715 1.00 0.00 C ATOM 221 CG ASN A 703 11.363 0.945 1.680 1.00 0.00 C ATOM 222 OD1 ASN A 703 12.021 0.877 2.719 1.00 0.00 O ATOM 223 ND2 ASN A 703 11.925 1.048 0.481 1.00 0.00 N ATOM 0 HA ASN A 703 8.280 -0.256 2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 703 9.460 1.070 0.708 1.00 0.00 H new ATOM 0 HB3 ASN A 703 9.483 1.737 2.329 1.00 0.00 H new ATOM 0 HD21 ASN A 703 12.941 1.074 0.394 1.00 0.00 H new ATOM 0 HD22 ASN A 703 11.341 1.102 -0.353 1.00 0.00 H new ATOM 230 N GLU A 704 9.435 -2.725 1.564 1.00 0.00 N ATOM 231 CA GLU A 704 9.444 -3.829 0.611 1.00 0.00 C ATOM 232 C GLU A 704 8.049 -4.065 0.039 1.00 0.00 C ATOM 233 O GLU A 704 7.835 -3.958 -1.169 1.00 0.00 O ATOM 234 CB GLU A 704 9.955 -5.106 1.282 1.00 0.00 C ATOM 235 CG GLU A 704 10.231 -6.237 0.306 1.00 0.00 C ATOM 236 CD GLU A 704 9.019 -7.120 0.078 1.00 0.00 C ATOM 237 OE1 GLU A 704 8.736 -7.975 0.943 1.00 0.00 O ATOM 238 OE2 GLU A 704 8.354 -6.956 -0.966 1.00 0.00 O ATOM 0 H GLU A 704 9.544 -3.007 2.538 1.00 0.00 H new ATOM 0 HA GLU A 704 10.113 -3.564 -0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 704 10.870 -4.878 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 704 9.220 -5.441 2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 704 10.555 -5.819 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 704 11.053 -6.845 0.683 1.00 0.00 H new ATOM 245 N LEU A 705 7.104 -4.387 0.915 1.00 0.00 N ATOM 246 CA LEU A 705 5.729 -4.639 0.498 1.00 0.00 C ATOM 247 C LEU A 705 5.113 -3.393 -0.132 1.00 0.00 C ATOM 248 O LEU A 705 4.091 -3.471 -0.813 1.00 0.00 O ATOM 249 CB LEU A 705 4.887 -5.088 1.694 1.00 0.00 C ATOM 250 CG LEU A 705 3.372 -5.080 1.489 1.00 0.00 C ATOM 251 CD1 LEU A 705 2.952 -6.216 0.569 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.652 -5.180 2.826 1.00 0.00 C ATOM 0 H LEU A 705 7.264 -4.480 1.918 1.00 0.00 H new ATOM 0 HA LEU A 705 5.742 -5.433 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 705 5.191 -6.098 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 705 5.122 -4.443 2.541 1.00 0.00 H new ATOM 0 HG LEU A 705 3.093 -4.137 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.871 -6.195 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.440 -6.100 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 705 3.244 -7.169 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.575 -5.173 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.936 -6.107 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.928 -4.332 3.452 1.00 0.00 H new ATOM 264 N ILE A 706 5.744 -2.247 0.099 1.00 0.00 N ATOM 265 CA ILE A 706 5.261 -0.985 -0.448 1.00 0.00 C ATOM 266 C ILE A 706 5.243 -1.019 -1.973 1.00 0.00 C ATOM 267 O ILE A 706 6.292 -1.029 -2.616 1.00 0.00 O ATOM 268 CB ILE A 706 6.127 0.200 0.018 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.834 0.528 1.483 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.879 1.416 -0.863 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.524 -0.690 2.325 1.00 0.00 C ATOM 0 H ILE A 706 6.591 -2.166 0.661 1.00 0.00 H new ATOM 0 HA ILE A 706 4.245 -0.849 -0.077 1.00 0.00 H new ATOM 0 HB ILE A 706 7.177 -0.079 -0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.693 1.046 1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 706 4.991 1.217 1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.498 2.245 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 706 6.133 1.175 -1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.828 1.700 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 706 5.327 -0.382 3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.647 -1.196 1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.375 -1.370 2.308 1.00 0.00 H new ATOM 283 N GLY A 707 4.043 -1.034 -2.545 1.00 0.00 N ATOM 284 CA GLY A 707 3.910 -1.064 -3.990 1.00 0.00 C ATOM 285 C GLY A 707 3.187 -2.303 -4.480 1.00 0.00 C ATOM 286 O GLY A 707 2.672 -2.327 -5.598 1.00 0.00 O ATOM 0 H GLY A 707 3.161 -1.026 -2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.369 -0.177 -4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.900 -1.021 -4.444 1.00 0.00 H new ATOM 290 N GLN A 708 3.150 -3.335 -3.643 1.00 0.00 N ATOM 291 CA GLN A 708 2.486 -4.583 -3.999 1.00 0.00 C ATOM 292 C GLN A 708 0.980 -4.383 -4.123 1.00 0.00 C ATOM 293 O GLN A 708 0.441 -3.359 -3.700 1.00 0.00 O ATOM 294 CB GLN A 708 2.786 -5.661 -2.956 1.00 0.00 C ATOM 295 CG GLN A 708 4.269 -5.950 -2.789 1.00 0.00 C ATOM 296 CD GLN A 708 5.023 -5.912 -4.103 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.629 -6.554 -5.077 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.114 -5.156 -4.139 1.00 0.00 N ATOM 0 H GLN A 708 3.572 -3.331 -2.714 1.00 0.00 H new ATOM 0 HA GLN A 708 2.871 -4.907 -4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.375 -5.350 -1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.275 -6.581 -3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.702 -5.221 -2.105 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.395 -6.931 -2.331 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.405 -4.640 -3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.661 -5.091 -4.997 1.00 0.00 H new ATOM 307 N THR A 709 0.302 -5.368 -4.705 1.00 0.00 N ATOM 308 CA THR A 709 -1.142 -5.299 -4.885 1.00 0.00 C ATOM 309 C THR A 709 -1.869 -6.103 -3.813 1.00 0.00 C ATOM 310 O THR A 709 -1.831 -7.333 -3.812 1.00 0.00 O ATOM 311 CB THR A 709 -1.561 -5.821 -6.273 1.00 0.00 C ATOM 312 OG1 THR A 709 -1.004 -4.989 -7.297 1.00 0.00 O ATOM 313 CG2 THR A 709 -3.076 -5.853 -6.405 1.00 0.00 C ATOM 0 H THR A 709 0.731 -6.223 -5.060 1.00 0.00 H new ATOM 0 HA THR A 709 -1.421 -4.249 -4.800 1.00 0.00 H new ATOM 0 HB THR A 709 -1.182 -6.837 -6.385 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.273 -5.328 -8.176 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.347 -6.225 -7.393 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.494 -6.510 -5.642 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.474 -4.847 -6.274 1.00 0.00 H new ATOM 321 N VAL A 710 -2.532 -5.399 -2.900 1.00 0.00 N ATOM 322 CA VAL A 710 -3.270 -6.048 -1.823 1.00 0.00 C ATOM 323 C VAL A 710 -4.771 -5.825 -1.972 1.00 0.00 C ATOM 324 O VAL A 710 -5.206 -4.817 -2.529 1.00 0.00 O ATOM 325 CB VAL A 710 -2.820 -5.530 -0.444 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.353 -5.852 -0.204 1.00 0.00 C ATOM 327 CG2 VAL A 710 -3.071 -4.034 -0.329 1.00 0.00 C ATOM 0 H VAL A 710 -2.573 -4.380 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 710 -3.056 -7.115 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.408 -6.034 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -1.054 -5.478 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.207 -6.932 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.746 -5.377 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.747 -3.685 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.511 -3.510 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.135 -3.833 -0.452 1.00 0.00 H new ATOM 337 N ARG A 711 -5.557 -6.773 -1.472 1.00 0.00 N ATOM 338 CA ARG A 711 -7.010 -6.680 -1.550 1.00 0.00 C ATOM 339 C ARG A 711 -7.636 -6.765 -0.161 1.00 0.00 C ATOM 340 O ARG A 711 -7.552 -7.796 0.506 1.00 0.00 O ATOM 341 CB ARG A 711 -7.565 -7.794 -2.440 1.00 0.00 C ATOM 342 CG ARG A 711 -9.084 -7.825 -2.500 1.00 0.00 C ATOM 343 CD ARG A 711 -9.589 -9.093 -3.171 1.00 0.00 C ATOM 344 NE ARG A 711 -10.893 -9.501 -2.657 1.00 0.00 N ATOM 345 CZ ARG A 711 -11.582 -10.531 -3.137 1.00 0.00 C ATOM 346 NH1 ARG A 711 -11.093 -11.253 -4.135 1.00 0.00 N ATOM 347 NH2 ARG A 711 -12.763 -10.841 -2.617 1.00 0.00 N ATOM 0 H ARG A 711 -5.212 -7.614 -1.009 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.265 -5.714 -1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -7.172 -7.671 -3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -7.204 -8.755 -2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.491 -7.759 -1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.446 -6.954 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -9.658 -8.931 -4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -8.870 -9.897 -3.015 1.00 0.00 H new ATOM 0 HE ARG A 711 -11.297 -8.967 -1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -10.185 -11.019 -4.537 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -11.624 -12.043 -4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -13.143 -10.288 -1.848 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -13.291 -11.632 -2.986 1.00 0.00 H new ATOM 361 N ILE A 712 -8.261 -5.674 0.267 1.00 0.00 N ATOM 362 CA ILE A 712 -8.902 -5.625 1.576 1.00 0.00 C ATOM 363 C ILE A 712 -10.021 -6.655 1.678 1.00 0.00 C ATOM 364 O ILE A 712 -10.836 -6.794 0.767 1.00 0.00 O ATOM 365 CB ILE A 712 -9.477 -4.227 1.869 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.383 -3.165 1.741 1.00 0.00 C ATOM 367 CG2 ILE A 712 -10.098 -4.191 3.258 1.00 0.00 C ATOM 368 CD1 ILE A 712 -8.921 -1.769 1.512 1.00 0.00 C ATOM 0 H ILE A 712 -8.338 -4.812 -0.273 1.00 0.00 H new ATOM 0 HA ILE A 712 -8.133 -5.854 2.314 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.256 -4.009 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -7.777 -3.168 2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.724 -3.432 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.500 -3.197 3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -10.902 -4.925 3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.337 -4.426 4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -8.090 -1.068 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.503 -1.750 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.557 -1.482 2.349 1.00 0.00 H new ATOM 380 N SER A 713 -10.056 -7.374 2.796 1.00 0.00 N ATOM 381 CA SER A 713 -11.075 -8.393 3.018 1.00 0.00 C ATOM 382 C SER A 713 -12.014 -7.985 4.149 1.00 0.00 C ATOM 383 O SER A 713 -13.196 -8.329 4.142 1.00 0.00 O ATOM 384 CB SER A 713 -10.420 -9.737 3.343 1.00 0.00 C ATOM 385 OG SER A 713 -11.309 -10.812 3.092 1.00 0.00 O ATOM 0 H SER A 713 -9.390 -7.269 3.562 1.00 0.00 H new ATOM 0 HA SER A 713 -11.659 -8.493 2.103 1.00 0.00 H new ATOM 0 HB2 SER A 713 -9.518 -9.860 2.744 1.00 0.00 H new ATOM 0 HB3 SER A 713 -10.113 -9.752 4.389 1.00 0.00 H new ATOM 0 HG SER A 713 -10.866 -11.660 3.306 1.00 0.00 H new ATOM 391 N GLN A 714 -11.479 -7.250 5.118 1.00 0.00 N ATOM 392 CA GLN A 714 -12.269 -6.795 6.256 1.00 0.00 C ATOM 393 C GLN A 714 -12.659 -5.330 6.097 1.00 0.00 C ATOM 394 O GLN A 714 -12.256 -4.670 5.141 1.00 0.00 O ATOM 395 CB GLN A 714 -11.487 -6.989 7.556 1.00 0.00 C ATOM 396 CG GLN A 714 -11.398 -8.440 8.003 1.00 0.00 C ATOM 397 CD GLN A 714 -11.003 -9.374 6.876 1.00 0.00 C ATOM 398 OE1 GLN A 714 -9.820 -9.532 6.571 1.00 0.00 O ATOM 399 NE2 GLN A 714 -11.993 -9.999 6.250 1.00 0.00 N ATOM 0 H GLN A 714 -10.502 -6.957 5.138 1.00 0.00 H new ATOM 0 HA GLN A 714 -13.180 -7.392 6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -10.479 -6.595 7.426 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -11.959 -6.403 8.345 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -10.671 -8.524 8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -12.361 -8.751 8.407 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -12.959 -9.838 6.536 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -11.788 -10.640 5.483 1.00 0.00 H new ATOM 408 N GLY A 715 -13.447 -4.826 7.043 1.00 0.00 N ATOM 409 CA GLY A 715 -13.879 -3.442 6.989 1.00 0.00 C ATOM 410 C GLY A 715 -14.898 -3.195 5.894 1.00 0.00 C ATOM 411 O GLY A 715 -15.256 -4.096 5.135 1.00 0.00 O ATOM 0 H GLY A 715 -13.793 -5.352 7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -14.308 -3.161 7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -13.013 -2.800 6.827 1.00 0.00 H new ATOM 415 N PRO A 716 -15.383 -1.948 5.802 1.00 0.00 N ATOM 416 CA PRO A 716 -16.375 -1.556 4.796 1.00 0.00 C ATOM 417 C PRO A 716 -15.794 -1.539 3.386 1.00 0.00 C ATOM 418 O PRO A 716 -16.519 -1.355 2.408 1.00 0.00 O ATOM 419 CB PRO A 716 -16.777 -0.143 5.226 1.00 0.00 C ATOM 420 CG PRO A 716 -15.604 0.370 5.986 1.00 0.00 C ATOM 421 CD PRO A 716 -15.001 -0.824 6.673 1.00 0.00 C ATOM 0 HA PRO A 716 -17.209 -2.256 4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.995 0.486 4.363 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -17.674 -0.158 5.845 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -14.883 0.842 5.319 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -15.909 1.125 6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.918 -0.733 6.760 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -15.393 -0.947 7.683 1.00 0.00 H new ATOM 429 N TYR A 717 -14.483 -1.731 3.289 1.00 0.00 N ATOM 430 CA TYR A 717 -13.805 -1.735 1.998 1.00 0.00 C ATOM 431 C TYR A 717 -13.417 -3.153 1.591 1.00 0.00 C ATOM 432 O TYR A 717 -12.393 -3.368 0.942 1.00 0.00 O ATOM 433 CB TYR A 717 -12.559 -0.849 2.050 1.00 0.00 C ATOM 434 CG TYR A 717 -12.835 0.555 2.540 1.00 0.00 C ATOM 435 CD1 TYR A 717 -12.919 0.832 3.899 1.00 0.00 C ATOM 436 CD2 TYR A 717 -13.012 1.602 1.645 1.00 0.00 C ATOM 437 CE1 TYR A 717 -13.171 2.113 4.352 1.00 0.00 C ATOM 438 CE2 TYR A 717 -13.263 2.886 2.089 1.00 0.00 C ATOM 439 CZ TYR A 717 -13.342 3.137 3.443 1.00 0.00 C ATOM 440 OH TYR A 717 -13.593 4.414 3.889 1.00 0.00 O ATOM 0 H TYR A 717 -13.869 -1.886 4.089 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.495 -1.338 1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.820 -1.314 2.702 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -12.118 -0.797 1.054 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -12.785 0.033 4.613 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -12.952 1.409 0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -13.234 2.312 5.412 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -13.397 3.689 1.379 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.687 5.016 3.121 1.00 0.00 H new ATOM 450 N LYS A 718 -14.244 -4.119 1.977 1.00 0.00 N ATOM 451 CA LYS A 718 -13.991 -5.518 1.652 1.00 0.00 C ATOM 452 C LYS A 718 -14.154 -5.768 0.156 1.00 0.00 C ATOM 453 O LYS A 718 -15.083 -5.259 -0.470 1.00 0.00 O ATOM 454 CB LYS A 718 -14.942 -6.425 2.437 1.00 0.00 C ATOM 455 CG LYS A 718 -14.944 -7.866 1.956 1.00 0.00 C ATOM 456 CD LYS A 718 -15.816 -8.746 2.835 1.00 0.00 C ATOM 457 CE LYS A 718 -17.295 -8.498 2.580 1.00 0.00 C ATOM 458 NZ LYS A 718 -18.135 -9.643 3.028 1.00 0.00 N ATOM 0 H LYS A 718 -15.095 -3.959 2.515 1.00 0.00 H new ATOM 0 HA LYS A 718 -12.963 -5.749 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.664 -6.403 3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -15.954 -6.025 2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.304 -7.907 0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -13.924 -8.251 1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.584 -9.794 2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -15.589 -8.553 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -17.607 -7.593 3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -17.456 -8.324 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -19.136 -9.435 2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -17.855 -10.502 2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -18.001 -9.793 4.048 1.00 0.00 H new ATOM 472 N GLY A 719 -13.245 -6.555 -0.411 1.00 0.00 N ATOM 473 CA GLY A 719 -13.307 -6.859 -1.828 1.00 0.00 C ATOM 474 C GLY A 719 -12.810 -5.714 -2.689 1.00 0.00 C ATOM 475 O GLY A 719 -13.276 -5.526 -3.813 1.00 0.00 O ATOM 0 H GLY A 719 -12.466 -6.988 0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.711 -7.748 -2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.335 -7.095 -2.101 1.00 0.00 H new ATOM 479 N TYR A 720 -11.864 -4.946 -2.160 1.00 0.00 N ATOM 480 CA TYR A 720 -11.307 -3.811 -2.886 1.00 0.00 C ATOM 481 C TYR A 720 -9.801 -3.969 -3.073 1.00 0.00 C ATOM 482 O TYR A 720 -9.109 -4.494 -2.200 1.00 0.00 O ATOM 483 CB TYR A 720 -11.606 -2.507 -2.144 1.00 0.00 C ATOM 484 CG TYR A 720 -12.996 -1.969 -2.402 1.00 0.00 C ATOM 485 CD1 TYR A 720 -14.122 -2.730 -2.115 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.182 -0.698 -2.931 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.393 -2.242 -2.349 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.449 -0.201 -3.168 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.551 -0.977 -2.876 1.00 0.00 C ATOM 490 OH TYR A 720 -16.816 -0.487 -3.110 1.00 0.00 O ATOM 0 H TYR A 720 -11.467 -5.089 -1.231 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.775 -3.777 -3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.482 -2.671 -1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.874 -1.755 -2.438 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -14.002 -3.721 -1.702 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.321 -0.088 -3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.258 -2.847 -2.121 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.576 0.789 -3.580 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.753 0.418 -3.481 1.00 0.00 H new ATOM 500 N ILE A 721 -9.302 -3.510 -4.215 1.00 0.00 N ATOM 501 CA ILE A 721 -7.878 -3.599 -4.516 1.00 0.00 C ATOM 502 C ILE A 721 -7.166 -2.289 -4.194 1.00 0.00 C ATOM 503 O ILE A 721 -7.758 -1.213 -4.270 1.00 0.00 O ATOM 504 CB ILE A 721 -7.636 -3.952 -5.995 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.325 -5.272 -6.347 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.145 -4.033 -6.284 1.00 0.00 C ATOM 507 CD1 ILE A 721 -7.741 -6.468 -5.628 1.00 0.00 C ATOM 0 H ILE A 721 -9.862 -3.073 -4.947 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.472 -4.394 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 721 -8.064 -3.164 -6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.385 -5.195 -6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.254 -5.434 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -5.991 -4.283 -7.334 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.680 -3.071 -6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.694 -4.803 -5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.278 -7.369 -5.925 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -6.688 -6.570 -5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -7.836 -6.328 -4.551 1.00 0.00 H new ATOM 519 N GLY A 722 -5.889 -2.388 -3.836 1.00 0.00 N ATOM 520 CA GLY A 722 -5.116 -1.204 -3.510 1.00 0.00 C ATOM 521 C GLY A 722 -3.627 -1.483 -3.449 1.00 0.00 C ATOM 522 O GLY A 722 -3.208 -2.634 -3.332 1.00 0.00 O ATOM 0 H GLY A 722 -5.376 -3.267 -3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.308 -0.432 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.448 -0.810 -2.550 1.00 0.00 H new ATOM 526 N VAL A 723 -2.826 -0.426 -3.531 1.00 0.00 N ATOM 527 CA VAL A 723 -1.375 -0.561 -3.485 1.00 0.00 C ATOM 528 C VAL A 723 -0.817 -0.059 -2.158 1.00 0.00 C ATOM 529 O VAL A 723 -1.089 1.068 -1.745 1.00 0.00 O ATOM 530 CB VAL A 723 -0.702 0.209 -4.636 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.808 0.236 -4.451 1.00 0.00 C ATOM 532 CG2 VAL A 723 -1.072 -0.407 -5.977 1.00 0.00 C ATOM 0 H VAL A 723 -3.157 0.534 -3.630 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.154 -1.623 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.064 1.237 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.266 0.785 -5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 723 1.050 0.727 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.191 -0.784 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.588 0.150 -6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.741 -1.445 -6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -2.153 -0.368 -6.110 1.00 0.00 H new ATOM 542 N VAL A 724 -0.035 -0.904 -1.493 1.00 0.00 N ATOM 543 CA VAL A 724 0.562 -0.545 -0.212 1.00 0.00 C ATOM 544 C VAL A 724 1.531 0.622 -0.365 1.00 0.00 C ATOM 545 O VAL A 724 2.644 0.459 -0.864 1.00 0.00 O ATOM 546 CB VAL A 724 1.309 -1.739 0.412 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.874 -1.363 1.774 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.388 -2.945 0.523 1.00 0.00 C ATOM 0 H VAL A 724 0.200 -1.841 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.255 -0.251 0.447 1.00 0.00 H new ATOM 0 HB VAL A 724 2.141 -2.005 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.398 -2.219 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.569 -0.531 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 724 1.060 -1.070 2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 724 0.932 -3.779 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.466 -2.694 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.037 -3.227 -0.470 1.00 0.00 H new ATOM 558 N LYS A 725 1.099 1.802 0.068 1.00 0.00 N ATOM 559 CA LYS A 725 1.928 2.999 -0.018 1.00 0.00 C ATOM 560 C LYS A 725 2.936 3.046 1.126 1.00 0.00 C ATOM 561 O LYS A 725 4.098 3.400 0.927 1.00 0.00 O ATOM 562 CB LYS A 725 1.052 4.253 0.007 1.00 0.00 C ATOM 563 CG LYS A 725 -0.106 4.207 -0.975 1.00 0.00 C ATOM 564 CD LYS A 725 0.284 4.785 -2.325 1.00 0.00 C ATOM 565 CE LYS A 725 0.833 3.712 -3.253 1.00 0.00 C ATOM 566 NZ LYS A 725 1.622 4.298 -4.372 1.00 0.00 N ATOM 0 H LYS A 725 0.179 1.955 0.482 1.00 0.00 H new ATOM 0 HA LYS A 725 2.476 2.965 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.658 4.390 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 725 1.671 5.123 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.436 3.176 -1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -0.950 4.765 -0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 725 -0.585 5.256 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 725 1.033 5.565 -2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 725 1.462 3.027 -2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 725 0.008 3.125 -3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 1.979 3.535 -4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 1.015 4.932 -4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 2.424 4.837 -3.987 1.00 0.00 H new ATOM 580 N ASP A 726 2.484 2.687 2.322 1.00 0.00 N ATOM 581 CA ASP A 726 3.347 2.686 3.497 1.00 0.00 C ATOM 582 C ASP A 726 3.012 1.516 4.417 1.00 0.00 C ATOM 583 O ASP A 726 1.856 1.107 4.521 1.00 0.00 O ATOM 584 CB ASP A 726 3.209 4.005 4.258 1.00 0.00 C ATOM 585 CG ASP A 726 4.483 4.391 4.984 1.00 0.00 C ATOM 586 OD1 ASP A 726 5.007 3.554 5.748 1.00 0.00 O ATOM 587 OD2 ASP A 726 4.956 5.530 4.788 1.00 0.00 O ATOM 0 H ASP A 726 1.524 2.393 2.504 1.00 0.00 H new ATOM 0 HA ASP A 726 4.378 2.576 3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.938 4.797 3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.395 3.922 4.978 1.00 0.00 H new ATOM 592 N ALA A 727 4.031 0.982 5.081 1.00 0.00 N ATOM 593 CA ALA A 727 3.845 -0.140 5.993 1.00 0.00 C ATOM 594 C ALA A 727 3.949 0.310 7.446 1.00 0.00 C ATOM 595 O ALA A 727 5.006 0.753 7.896 1.00 0.00 O ATOM 596 CB ALA A 727 4.864 -1.232 5.702 1.00 0.00 C ATOM 0 H ALA A 727 4.994 1.308 5.005 1.00 0.00 H new ATOM 0 HA ALA A 727 2.844 -0.542 5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.713 -2.063 6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.739 -1.582 4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.871 -0.834 5.829 1.00 0.00 H new ATOM 602 N THR A 728 2.845 0.194 8.177 1.00 0.00 N ATOM 603 CA THR A 728 2.811 0.591 9.579 1.00 0.00 C ATOM 604 C THR A 728 2.941 -0.620 10.496 1.00 0.00 C ATOM 605 O THR A 728 2.702 -1.753 10.080 1.00 0.00 O ATOM 606 CB THR A 728 1.510 1.342 9.920 1.00 0.00 C ATOM 607 OG1 THR A 728 1.031 2.040 8.765 1.00 0.00 O ATOM 608 CG2 THR A 728 1.736 2.327 11.057 1.00 0.00 C ATOM 0 H THR A 728 1.962 -0.172 7.821 1.00 0.00 H new ATOM 0 HA THR A 728 3.658 1.258 9.739 1.00 0.00 H new ATOM 0 HB THR A 728 0.766 0.611 10.237 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.203 2.514 8.989 1.00 0.00 H new ATOM 0 HG21 THR A 728 0.803 2.845 11.280 1.00 0.00 H new ATOM 0 HG22 THR A 728 2.073 1.789 11.943 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.494 3.054 10.764 1.00 0.00 H new ATOM 616 N GLU A 729 3.319 -0.372 11.746 1.00 0.00 N ATOM 617 CA GLU A 729 3.480 -1.444 12.722 1.00 0.00 C ATOM 618 C GLU A 729 2.283 -2.389 12.694 1.00 0.00 C ATOM 619 O GLU A 729 2.390 -3.531 12.246 1.00 0.00 O ATOM 620 CB GLU A 729 3.652 -0.863 14.127 1.00 0.00 C ATOM 621 CG GLU A 729 3.667 -1.915 15.223 1.00 0.00 C ATOM 622 CD GLU A 729 4.995 -2.641 15.317 1.00 0.00 C ATOM 623 OE1 GLU A 729 6.011 -2.080 14.857 1.00 0.00 O ATOM 624 OE2 GLU A 729 5.017 -3.770 15.850 1.00 0.00 O ATOM 0 H GLU A 729 3.519 0.561 12.107 1.00 0.00 H new ATOM 0 HA GLU A 729 4.374 -2.009 12.458 1.00 0.00 H new ATOM 0 HB2 GLU A 729 4.583 -0.297 14.166 1.00 0.00 H new ATOM 0 HB3 GLU A 729 2.843 -0.159 14.322 1.00 0.00 H new ATOM 0 HG2 GLU A 729 3.448 -1.441 16.180 1.00 0.00 H new ATOM 0 HG3 GLU A 729 2.874 -2.639 15.037 1.00 0.00 H new ATOM 631 N SER A 730 1.142 -1.905 13.176 1.00 0.00 N ATOM 632 CA SER A 730 -0.075 -2.707 13.211 1.00 0.00 C ATOM 633 C SER A 730 -1.058 -2.249 12.138 1.00 0.00 C ATOM 634 O SER A 730 -2.246 -2.572 12.188 1.00 0.00 O ATOM 635 CB SER A 730 -0.730 -2.619 14.590 1.00 0.00 C ATOM 636 OG SER A 730 -0.178 -3.575 15.479 1.00 0.00 O ATOM 0 H SER A 730 1.036 -0.961 13.548 1.00 0.00 H new ATOM 0 HA SER A 730 0.197 -3.744 13.012 1.00 0.00 H new ATOM 0 HB2 SER A 730 -0.593 -1.617 14.998 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.804 -2.782 14.497 1.00 0.00 H new ATOM 0 HG SER A 730 -0.612 -3.497 16.354 1.00 0.00 H new ATOM 642 N THR A 731 -0.555 -1.494 11.166 1.00 0.00 N ATOM 643 CA THR A 731 -1.387 -0.990 10.081 1.00 0.00 C ATOM 644 C THR A 731 -0.585 -0.851 8.792 1.00 0.00 C ATOM 645 O THR A 731 0.632 -1.030 8.785 1.00 0.00 O ATOM 646 CB THR A 731 -2.007 0.374 10.437 1.00 0.00 C ATOM 647 OG1 THR A 731 -1.140 1.091 11.323 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.371 0.196 11.088 1.00 0.00 C ATOM 0 H THR A 731 0.425 -1.218 11.108 1.00 0.00 H new ATOM 0 HA THR A 731 -2.186 -1.716 9.931 1.00 0.00 H new ATOM 0 HB THR A 731 -2.133 0.942 9.515 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.541 1.958 11.543 1.00 0.00 H new ATOM 0 HG21 THR A 731 -3.789 1.173 11.330 1.00 0.00 H new ATOM 0 HG22 THR A 731 -4.038 -0.323 10.400 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.265 -0.390 12.001 1.00 0.00 H new ATOM 656 N ALA A 732 -1.276 -0.530 7.703 1.00 0.00 N ATOM 657 CA ALA A 732 -0.627 -0.363 6.409 1.00 0.00 C ATOM 658 C ALA A 732 -1.380 0.640 5.542 1.00 0.00 C ATOM 659 O ALA A 732 -2.559 0.454 5.242 1.00 0.00 O ATOM 660 CB ALA A 732 -0.520 -1.703 5.696 1.00 0.00 C ATOM 0 H ALA A 732 -2.285 -0.381 7.692 1.00 0.00 H new ATOM 0 HA ALA A 732 0.376 0.027 6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 732 -0.033 -1.564 4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 732 0.068 -2.392 6.303 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.518 -2.115 5.543 1.00 0.00 H new ATOM 666 N ARG A 733 -0.691 1.705 5.143 1.00 0.00 N ATOM 667 CA ARG A 733 -1.296 2.739 4.313 1.00 0.00 C ATOM 668 C ARG A 733 -1.410 2.275 2.863 1.00 0.00 C ATOM 669 O ARG A 733 -0.444 2.340 2.102 1.00 0.00 O ATOM 670 CB ARG A 733 -0.473 4.027 4.384 1.00 0.00 C ATOM 671 CG ARG A 733 -0.262 4.537 5.800 1.00 0.00 C ATOM 672 CD ARG A 733 -1.559 5.051 6.406 1.00 0.00 C ATOM 673 NE ARG A 733 -2.089 6.196 5.672 1.00 0.00 N ATOM 674 CZ ARG A 733 -1.673 7.444 5.856 1.00 0.00 C ATOM 675 NH1 ARG A 733 -0.726 7.706 6.745 1.00 0.00 N ATOM 676 NH2 ARG A 733 -2.205 8.433 5.149 1.00 0.00 N ATOM 0 H ARG A 733 0.286 1.874 5.381 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.298 2.935 4.694 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.498 3.854 3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -0.972 4.800 3.799 1.00 0.00 H new ATOM 0 HG2 ARG A 733 0.138 3.735 6.421 1.00 0.00 H new ATOM 0 HG3 ARG A 733 0.480 5.336 5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -2.299 4.250 6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -1.387 5.334 7.444 1.00 0.00 H new ATOM 0 HE ARG A 733 -2.819 6.029 4.980 1.00 0.00 H new ATOM 0 HH11 ARG A 733 -0.315 6.948 7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 733 -0.408 8.665 6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -2.934 8.235 4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 733 -1.885 9.391 5.291 1.00 0.00 H new ATOM 690 N VAL A 734 -2.595 1.806 2.489 1.00 0.00 N ATOM 691 CA VAL A 734 -2.836 1.331 1.131 1.00 0.00 C ATOM 692 C VAL A 734 -3.653 2.341 0.333 1.00 0.00 C ATOM 693 O VAL A 734 -4.532 3.010 0.875 1.00 0.00 O ATOM 694 CB VAL A 734 -3.571 -0.022 1.132 1.00 0.00 C ATOM 695 CG1 VAL A 734 -3.949 -0.425 -0.286 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.713 -1.093 1.788 1.00 0.00 C ATOM 0 H VAL A 734 -3.404 1.744 3.107 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.860 1.205 0.661 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.488 0.082 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.468 -1.384 -0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.603 0.333 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -3.047 -0.513 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -3.248 -2.043 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.778 -1.198 1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.497 -0.806 2.817 1.00 0.00 H new ATOM 706 N GLU A 735 -3.357 2.444 -0.959 1.00 0.00 N ATOM 707 CA GLU A 735 -4.065 3.373 -1.832 1.00 0.00 C ATOM 708 C GLU A 735 -5.043 2.630 -2.738 1.00 0.00 C ATOM 709 O GLU A 735 -4.648 2.032 -3.739 1.00 0.00 O ATOM 710 CB GLU A 735 -3.071 4.168 -2.681 1.00 0.00 C ATOM 711 CG GLU A 735 -3.728 4.998 -3.771 1.00 0.00 C ATOM 712 CD GLU A 735 -2.739 5.476 -4.817 1.00 0.00 C ATOM 713 OE1 GLU A 735 -2.032 6.471 -4.553 1.00 0.00 O ATOM 714 OE2 GLU A 735 -2.673 4.856 -5.899 1.00 0.00 O ATOM 0 H GLU A 735 -2.633 1.896 -1.424 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.629 4.063 -1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.497 4.828 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.363 3.477 -3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -4.505 4.406 -4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -4.219 5.860 -3.320 1.00 0.00 H new ATOM 721 N LEU A 736 -6.321 2.673 -2.378 1.00 0.00 N ATOM 722 CA LEU A 736 -7.358 2.004 -3.157 1.00 0.00 C ATOM 723 C LEU A 736 -7.256 2.377 -4.633 1.00 0.00 C ATOM 724 O LEU A 736 -6.638 3.381 -4.989 1.00 0.00 O ATOM 725 CB LEU A 736 -8.743 2.370 -2.621 1.00 0.00 C ATOM 726 CG LEU A 736 -9.144 1.718 -1.298 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.346 2.429 -0.695 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.444 0.240 -1.502 1.00 0.00 C ATOM 0 H LEU A 736 -6.664 3.164 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.212 0.928 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.789 3.452 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.484 2.103 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.309 1.807 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.617 1.951 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.097 3.474 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.187 2.372 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.728 -0.208 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.262 0.130 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.557 -0.261 -1.889 1.00 0.00 H new ATOM 740 N HIS A 737 -7.868 1.563 -5.487 1.00 0.00 N ATOM 741 CA HIS A 737 -7.849 1.809 -6.925 1.00 0.00 C ATOM 742 C HIS A 737 -9.103 2.558 -7.364 1.00 0.00 C ATOM 743 O HIS A 737 -9.028 3.513 -8.138 1.00 0.00 O ATOM 744 CB HIS A 737 -7.735 0.489 -7.688 1.00 0.00 C ATOM 745 CG HIS A 737 -6.350 -0.079 -7.700 1.00 0.00 C ATOM 746 ND1 HIS A 737 -5.896 -0.938 -8.679 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.314 0.094 -6.845 1.00 0.00 C ATOM 748 CE1 HIS A 737 -4.643 -1.269 -8.425 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.266 -0.656 -7.318 1.00 0.00 N ATOM 0 H HIS A 737 -8.383 0.728 -5.209 1.00 0.00 H new ATOM 0 HA HIS A 737 -6.980 2.427 -7.152 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.413 -0.239 -7.242 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -8.064 0.643 -8.716 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.443 -1.266 -9.475 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -5.313 0.708 -5.956 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -4.031 -1.929 -9.021 1.00 0.00 H new ATOM 757 N SER A 738 -10.254 2.118 -6.867 1.00 0.00 N ATOM 758 CA SER A 738 -11.525 2.744 -7.212 1.00 0.00 C ATOM 759 C SER A 738 -11.610 4.155 -6.637 1.00 0.00 C ATOM 760 O SER A 738 -11.667 5.138 -7.376 1.00 0.00 O ATOM 761 CB SER A 738 -12.691 1.900 -6.695 1.00 0.00 C ATOM 762 OG SER A 738 -13.933 2.529 -6.958 1.00 0.00 O ATOM 0 H SER A 738 -10.333 1.330 -6.224 1.00 0.00 H new ATOM 0 HA SER A 738 -11.586 2.809 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.670 0.918 -7.167 1.00 0.00 H new ATOM 0 HB3 SER A 738 -12.581 1.740 -5.622 1.00 0.00 H new ATOM 0 HG SER A 738 -14.662 1.968 -6.619 1.00 0.00 H new ATOM 768 N THR A 739 -11.617 4.247 -5.311 1.00 0.00 N ATOM 769 CA THR A 739 -11.696 5.536 -4.634 1.00 0.00 C ATOM 770 C THR A 739 -10.398 6.320 -4.793 1.00 0.00 C ATOM 771 O THR A 739 -10.382 7.545 -4.661 1.00 0.00 O ATOM 772 CB THR A 739 -11.999 5.365 -3.134 1.00 0.00 C ATOM 773 OG1 THR A 739 -10.957 4.610 -2.506 1.00 0.00 O ATOM 774 CG2 THR A 739 -13.334 4.666 -2.927 1.00 0.00 C ATOM 0 H THR A 739 -11.569 3.444 -4.684 1.00 0.00 H new ATOM 0 HA THR A 739 -12.511 6.089 -5.100 1.00 0.00 H new ATOM 0 HB THR A 739 -12.052 6.356 -2.682 1.00 0.00 H new ATOM 0 HG1 THR A 739 -10.192 5.195 -2.326 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.526 4.557 -1.860 1.00 0.00 H new ATOM 0 HG22 THR A 739 -14.129 5.259 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.305 3.681 -3.393 1.00 0.00 H new ATOM 782 N CYS A 740 -9.314 5.609 -5.078 1.00 0.00 N ATOM 783 CA CYS A 740 -8.010 6.239 -5.256 1.00 0.00 C ATOM 784 C CYS A 740 -7.636 7.068 -4.031 1.00 0.00 C ATOM 785 O CYS A 740 -7.146 8.190 -4.156 1.00 0.00 O ATOM 786 CB CYS A 740 -8.014 7.123 -6.503 1.00 0.00 C ATOM 787 SG CYS A 740 -7.759 6.220 -8.049 1.00 0.00 S ATOM 0 H CYS A 740 -9.311 4.595 -5.191 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.267 5.452 -5.381 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -8.965 7.653 -6.557 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -7.234 7.878 -6.403 1.00 0.00 H new ATOM 0 HG CYS A 740 -8.516 5.163 -8.064 1.00 0.00 H new ATOM 793 N GLN A 741 -7.873 6.508 -2.849 1.00 0.00 N ATOM 794 CA GLN A 741 -7.563 7.197 -1.602 1.00 0.00 C ATOM 795 C GLN A 741 -6.701 6.324 -0.697 1.00 0.00 C ATOM 796 O GLN A 741 -6.851 5.102 -0.668 1.00 0.00 O ATOM 797 CB GLN A 741 -8.852 7.588 -0.877 1.00 0.00 C ATOM 798 CG GLN A 741 -9.557 8.785 -1.493 1.00 0.00 C ATOM 799 CD GLN A 741 -8.808 10.084 -1.266 1.00 0.00 C ATOM 800 OE1 GLN A 741 -8.679 10.551 -0.134 1.00 0.00 O ATOM 801 NE2 GLN A 741 -8.309 10.675 -2.346 1.00 0.00 N ATOM 0 H GLN A 741 -8.278 5.580 -2.729 1.00 0.00 H new ATOM 0 HA GLN A 741 -7.003 8.100 -1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -9.532 6.736 -0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -8.620 7.810 0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -9.675 8.621 -2.564 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -10.558 8.869 -1.071 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -8.440 10.252 -3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -7.795 11.551 -2.256 1.00 0.00 H new ATOM 810 N THR A 742 -5.795 6.958 0.042 1.00 0.00 N ATOM 811 CA THR A 742 -4.908 6.239 0.947 1.00 0.00 C ATOM 812 C THR A 742 -5.573 6.006 2.299 1.00 0.00 C ATOM 813 O THR A 742 -5.891 6.955 3.016 1.00 0.00 O ATOM 814 CB THR A 742 -3.587 7.001 1.162 1.00 0.00 C ATOM 815 OG1 THR A 742 -3.041 7.400 -0.100 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.579 6.137 1.905 1.00 0.00 C ATOM 0 H THR A 742 -5.657 7.969 0.031 1.00 0.00 H new ATOM 0 HA THR A 742 -4.693 5.278 0.481 1.00 0.00 H new ATOM 0 HB THR A 742 -3.797 7.886 1.763 1.00 0.00 H new ATOM 0 HG1 THR A 742 -2.202 7.885 0.045 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.654 6.696 2.045 1.00 0.00 H new ATOM 0 HG22 THR A 742 -2.985 5.858 2.877 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.374 5.237 1.326 1.00 0.00 H new ATOM 824 N ILE A 743 -5.778 4.739 2.642 1.00 0.00 N ATOM 825 CA ILE A 743 -6.404 4.382 3.909 1.00 0.00 C ATOM 826 C ILE A 743 -5.517 3.437 4.713 1.00 0.00 C ATOM 827 O ILE A 743 -4.762 2.646 4.147 1.00 0.00 O ATOM 828 CB ILE A 743 -7.777 3.721 3.693 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.630 2.452 2.851 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.736 4.696 3.027 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.737 1.446 3.074 1.00 0.00 C ATOM 0 H ILE A 743 -5.520 3.942 2.060 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.541 5.309 4.465 1.00 0.00 H new ATOM 0 HB ILE A 743 -8.187 3.445 4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.607 2.726 1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.673 1.983 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.702 4.213 2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.861 5.574 3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.333 5.000 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.567 0.573 2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.747 1.142 4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.696 1.897 2.818 1.00 0.00 H new ATOM 843 N SER A 744 -5.616 3.523 6.036 1.00 0.00 N ATOM 844 CA SER A 744 -4.821 2.677 6.918 1.00 0.00 C ATOM 845 C SER A 744 -5.599 1.426 7.317 1.00 0.00 C ATOM 846 O SER A 744 -6.653 1.511 7.948 1.00 0.00 O ATOM 847 CB SER A 744 -4.408 3.454 8.169 1.00 0.00 C ATOM 848 OG SER A 744 -5.542 3.889 8.898 1.00 0.00 O ATOM 0 H SER A 744 -6.239 4.170 6.520 1.00 0.00 H new ATOM 0 HA SER A 744 -3.926 2.371 6.377 1.00 0.00 H new ATOM 0 HB2 SER A 744 -3.785 2.823 8.803 1.00 0.00 H new ATOM 0 HB3 SER A 744 -3.804 4.315 7.883 1.00 0.00 H new ATOM 0 HG SER A 744 -6.234 3.196 8.871 1.00 0.00 H new ATOM 854 N VAL A 745 -5.072 0.265 6.943 1.00 0.00 N ATOM 855 CA VAL A 745 -5.715 -1.005 7.262 1.00 0.00 C ATOM 856 C VAL A 745 -4.740 -1.960 7.939 1.00 0.00 C ATOM 857 O VAL A 745 -3.550 -1.977 7.623 1.00 0.00 O ATOM 858 CB VAL A 745 -6.283 -1.679 5.998 1.00 0.00 C ATOM 859 CG1 VAL A 745 -6.981 -2.982 6.356 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.233 -0.737 5.274 1.00 0.00 C ATOM 0 H VAL A 745 -4.201 0.177 6.419 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.534 -0.782 7.946 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.456 -1.910 5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.376 -3.444 5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.269 -3.659 6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.800 -2.778 7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.625 -1.229 4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -8.058 -0.473 5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.698 0.167 4.983 1.00 0.00 H new ATOM 870 N ASP A 746 -5.251 -2.755 8.873 1.00 0.00 N ATOM 871 CA ASP A 746 -4.426 -3.715 9.596 1.00 0.00 C ATOM 872 C ASP A 746 -3.611 -4.568 8.628 1.00 0.00 C ATOM 873 O ASP A 746 -4.161 -5.186 7.716 1.00 0.00 O ATOM 874 CB ASP A 746 -5.299 -4.612 10.474 1.00 0.00 C ATOM 875 CG ASP A 746 -5.710 -3.934 11.766 1.00 0.00 C ATOM 876 OD1 ASP A 746 -5.934 -2.705 11.747 1.00 0.00 O ATOM 877 OD2 ASP A 746 -5.808 -4.632 12.797 1.00 0.00 O ATOM 0 H ASP A 746 -6.233 -2.753 9.147 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.737 -3.158 10.231 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -6.191 -4.901 9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -4.756 -5.529 10.705 1.00 0.00 H new ATOM 882 N ARG A 747 -2.298 -4.596 8.832 1.00 0.00 N ATOM 883 CA ARG A 747 -1.408 -5.371 7.977 1.00 0.00 C ATOM 884 C ARG A 747 -1.982 -6.759 7.711 1.00 0.00 C ATOM 885 O ARG A 747 -1.652 -7.396 6.711 1.00 0.00 O ATOM 886 CB ARG A 747 -0.026 -5.493 8.620 1.00 0.00 C ATOM 887 CG ARG A 747 0.685 -4.161 8.794 1.00 0.00 C ATOM 888 CD ARG A 747 2.196 -4.328 8.765 1.00 0.00 C ATOM 889 NE ARG A 747 2.715 -4.840 10.030 1.00 0.00 N ATOM 890 CZ ARG A 747 3.897 -5.434 10.153 1.00 0.00 C ATOM 891 NH1 ARG A 747 4.679 -5.589 9.094 1.00 0.00 N ATOM 892 NH2 ARG A 747 4.299 -5.874 11.339 1.00 0.00 N ATOM 0 H ARG A 747 -1.827 -4.091 9.582 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.313 -4.848 7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 747 -0.129 -5.970 9.595 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.593 -6.149 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.378 -3.477 8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.386 -3.709 9.739 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.470 -5.009 7.959 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.662 -3.368 8.544 1.00 0.00 H new ATOM 0 HE ARG A 747 2.139 -4.736 10.865 1.00 0.00 H new ATOM 0 HH11 ARG A 747 4.374 -5.252 8.181 1.00 0.00 H new ATOM 0 HH12 ARG A 747 5.586 -6.045 9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.700 -5.756 12.156 1.00 0.00 H new ATOM 0 HH22 ARG A 747 5.207 -6.330 11.433 1.00 0.00 H new ATOM 906 N GLN A 748 -2.841 -7.222 8.614 1.00 0.00 N ATOM 907 CA GLN A 748 -3.459 -8.535 8.477 1.00 0.00 C ATOM 908 C GLN A 748 -4.759 -8.445 7.685 1.00 0.00 C ATOM 909 O GLN A 748 -5.031 -9.281 6.823 1.00 0.00 O ATOM 910 CB GLN A 748 -3.728 -9.142 9.855 1.00 0.00 C ATOM 911 CG GLN A 748 -4.793 -10.227 9.845 1.00 0.00 C ATOM 912 CD GLN A 748 -4.572 -11.271 10.921 1.00 0.00 C ATOM 913 OE1 GLN A 748 -4.608 -10.968 12.114 1.00 0.00 O ATOM 914 NE2 GLN A 748 -4.341 -12.511 10.505 1.00 0.00 N ATOM 0 H GLN A 748 -3.124 -6.707 9.448 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.768 -9.179 7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -2.800 -9.559 10.246 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -4.035 -8.350 10.538 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -5.773 -9.770 9.983 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -4.802 -10.713 8.869 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -4.320 -12.718 9.507 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -4.185 -13.256 11.184 1.00 0.00 H new ATOM 923 N ARG A 749 -5.559 -7.426 7.983 1.00 0.00 N ATOM 924 CA ARG A 749 -6.831 -7.228 7.300 1.00 0.00 C ATOM 925 C ARG A 749 -6.637 -7.195 5.787 1.00 0.00 C ATOM 926 O ARG A 749 -7.586 -7.376 5.024 1.00 0.00 O ATOM 927 CB ARG A 749 -7.490 -5.929 7.769 1.00 0.00 C ATOM 928 CG ARG A 749 -8.306 -6.085 9.042 1.00 0.00 C ATOM 929 CD ARG A 749 -9.113 -4.832 9.342 1.00 0.00 C ATOM 930 NE ARG A 749 -9.603 -4.814 10.718 1.00 0.00 N ATOM 931 CZ ARG A 749 -10.522 -3.962 11.160 1.00 0.00 C ATOM 932 NH1 ARG A 749 -11.049 -3.065 10.338 1.00 0.00 N ATOM 933 NH2 ARG A 749 -10.916 -4.008 12.426 1.00 0.00 N ATOM 0 H ARG A 749 -5.348 -6.725 8.693 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.481 -8.067 7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.717 -5.178 7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -8.137 -5.553 6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.978 -6.937 8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.641 -6.300 9.878 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -8.495 -3.952 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -9.957 -4.771 8.655 1.00 0.00 H new ATOM 0 HE ARG A 749 -9.219 -5.493 11.376 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -10.749 -3.028 9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -11.754 -2.412 10.680 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -10.513 -4.698 13.061 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -11.621 -3.354 12.765 1.00 0.00 H new ATOM 947 N LEU A 750 -5.401 -6.962 5.360 1.00 0.00 N ATOM 948 CA LEU A 750 -5.081 -6.904 3.938 1.00 0.00 C ATOM 949 C LEU A 750 -4.667 -8.277 3.417 1.00 0.00 C ATOM 950 O LEU A 750 -3.870 -8.977 4.043 1.00 0.00 O ATOM 951 CB LEU A 750 -3.961 -5.892 3.687 1.00 0.00 C ATOM 952 CG LEU A 750 -4.138 -4.521 4.341 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.808 -3.785 4.405 1.00 0.00 C ATOM 954 CD2 LEU A 750 -5.169 -3.698 3.583 1.00 0.00 C ATOM 0 H LEU A 750 -4.604 -6.810 5.978 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.976 -6.586 3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -3.024 -6.322 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.862 -5.749 2.611 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.498 -4.669 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -2.953 -2.811 4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -2.098 -4.368 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.419 -3.648 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.282 -2.726 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.838 -3.559 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -6.126 -4.219 3.589 1.00 0.00 H new ATOM 966 N THR A 751 -5.211 -8.656 2.264 1.00 0.00 N ATOM 967 CA THR A 751 -4.898 -9.943 1.658 1.00 0.00 C ATOM 968 C THR A 751 -4.112 -9.765 0.364 1.00 0.00 C ATOM 969 O THR A 751 -4.692 -9.642 -0.716 1.00 0.00 O ATOM 970 CB THR A 751 -6.176 -10.751 1.362 1.00 0.00 C ATOM 971 OG1 THR A 751 -7.015 -10.782 2.522 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.833 -12.171 0.940 1.00 0.00 C ATOM 0 H THR A 751 -5.871 -8.089 1.732 1.00 0.00 H new ATOM 0 HA THR A 751 -4.289 -10.491 2.377 1.00 0.00 H new ATOM 0 HB THR A 751 -6.706 -10.264 0.543 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.826 -11.296 2.325 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.751 -12.722 0.736 1.00 0.00 H new ATOM 0 HG22 THR A 751 -5.218 -12.145 0.040 1.00 0.00 H new ATOM 0 HG23 THR A 751 -5.283 -12.666 1.741 1.00 0.00 H new ATOM 980 N THR A 752 -2.788 -9.753 0.477 1.00 0.00 N ATOM 981 CA THR A 752 -1.922 -9.589 -0.684 1.00 0.00 C ATOM 982 C THR A 752 -2.439 -10.392 -1.872 1.00 0.00 C ATOM 983 O THR A 752 -2.532 -11.618 -1.813 1.00 0.00 O ATOM 984 CB THR A 752 -0.478 -10.026 -0.374 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.484 -11.262 0.348 1.00 0.00 O ATOM 986 CG2 THR A 752 0.246 -8.962 0.438 1.00 0.00 C ATOM 0 H THR A 752 -2.291 -9.855 1.362 1.00 0.00 H new ATOM 0 HA THR A 752 -1.927 -8.528 -0.935 1.00 0.00 H new ATOM 0 HB THR A 752 0.048 -10.161 -1.319 1.00 0.00 H new ATOM 0 HG1 THR A 752 -1.152 -11.865 -0.041 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.264 -9.292 0.645 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.275 -8.030 -0.127 1.00 0.00 H new ATOM 0 HG23 THR A 752 -0.281 -8.800 1.378 1.00 0.00 H new ATOM 994 N VAL A 753 -2.775 -9.693 -2.952 1.00 0.00 N ATOM 995 CA VAL A 753 -3.282 -10.341 -4.156 1.00 0.00 C ATOM 996 C VAL A 753 -2.251 -11.302 -4.737 1.00 0.00 C ATOM 997 O VAL A 753 -2.577 -12.429 -5.105 1.00 0.00 O ATOM 998 CB VAL A 753 -3.667 -9.306 -5.230 1.00 0.00 C ATOM 999 CG1 VAL A 753 -4.076 -10.002 -6.519 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -4.782 -8.404 -4.725 1.00 0.00 C ATOM 0 H VAL A 753 -2.705 -8.678 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 753 -4.172 -10.900 -3.866 1.00 0.00 H new ATOM 0 HB VAL A 753 -2.796 -8.685 -5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -4.345 -9.255 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.244 -10.602 -6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -4.933 -10.648 -6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -5.041 -7.679 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.658 -9.007 -4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -4.448 -7.878 -3.831 1.00 0.00 H new