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 728 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 731 THR OG1 : rot 180:sc= -0.95 USER MOD Single : A 703 ASN : amide:sc= -0.469 K(o=-0.47,f=-1.3!) USER MOD Single : A 708 GLN : amide:sc= -0.566 K(o=-0.57,f=-1.5!) USER MOD Single : A 709 THR OG1 : rot 180:sc= 0 USER MOD Single : A 713 SER OG : rot -49:sc= 0.0966 USER MOD Single : A 714 GLN : amide:sc= -2.59! C(o=-2.6!,f=-2.4!) 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 730 SER OG : rot 180:sc= 0 USER MOD Single : A 737 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-5.2!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot 170:sc= 0 USER MOD Single : A 740 CYS SG : rot 38:sc= 0.0107 USER MOD Single : A 741 GLN : amide:sc= -0.0368 K(o=-0.037,f=-0.97) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 23:sc= 0.202 USER MOD Single : A 748 GLN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 THR OG1 : rot 45:sc= 0.0446 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 9.982 -1.355 3.543 1.00 0.00 N ATOM 217 CA ASN A 703 9.360 -0.739 2.377 1.00 0.00 C ATOM 218 C ASN A 703 9.369 -1.694 1.187 1.00 0.00 C ATOM 219 O ASN A 703 9.510 -1.270 0.040 1.00 0.00 O ATOM 220 CB ASN A 703 10.085 0.557 2.011 1.00 0.00 C ATOM 221 CG ASN A 703 11.593 0.402 2.033 1.00 0.00 C ATOM 222 OD1 ASN A 703 12.113 -0.709 2.134 1.00 0.00 O ATOM 223 ND2 ASN A 703 12.304 1.520 1.939 1.00 0.00 N ATOM 0 HA ASN A 703 8.324 -0.509 2.628 1.00 0.00 H new ATOM 0 HB2 ASN A 703 9.770 0.878 1.018 1.00 0.00 H new ATOM 0 HB3 ASN A 703 9.793 1.343 2.708 1.00 0.00 H new ATOM 0 HD21 ASN A 703 13.323 1.479 1.949 1.00 0.00 H new ATOM 0 HD22 ASN A 703 11.831 2.420 1.857 1.00 0.00 H new ATOM 230 N GLU A 704 9.219 -2.985 1.469 1.00 0.00 N ATOM 231 CA GLU A 704 9.210 -3.999 0.422 1.00 0.00 C ATOM 232 C GLU A 704 7.810 -4.169 -0.160 1.00 0.00 C ATOM 233 O GLU A 704 7.604 -4.024 -1.366 1.00 0.00 O ATOM 234 CB GLU A 704 9.712 -5.336 0.971 1.00 0.00 C ATOM 235 CG GLU A 704 9.644 -6.472 -0.035 1.00 0.00 C ATOM 236 CD GLU A 704 10.661 -6.324 -1.150 1.00 0.00 C ATOM 237 OE1 GLU A 704 11.744 -5.757 -0.894 1.00 0.00 O ATOM 238 OE2 GLU A 704 10.375 -6.776 -2.279 1.00 0.00 O ATOM 0 H GLU A 704 9.102 -3.352 2.413 1.00 0.00 H new ATOM 0 HA GLU A 704 9.877 -3.668 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 704 10.743 -5.218 1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 704 9.123 -5.603 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 704 9.809 -7.419 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 704 8.643 -6.513 -0.464 1.00 0.00 H new ATOM 245 N LEU A 705 6.850 -4.478 0.705 1.00 0.00 N ATOM 246 CA LEU A 705 5.468 -4.669 0.279 1.00 0.00 C ATOM 247 C LEU A 705 4.919 -3.403 -0.371 1.00 0.00 C ATOM 248 O LEU A 705 3.868 -3.429 -1.012 1.00 0.00 O ATOM 249 CB LEU A 705 4.595 -5.063 1.472 1.00 0.00 C ATOM 250 CG LEU A 705 3.088 -5.092 1.220 1.00 0.00 C ATOM 251 CD1 LEU A 705 2.738 -6.159 0.194 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.334 -5.332 2.520 1.00 0.00 C ATOM 0 H LEU A 705 7.003 -4.602 1.706 1.00 0.00 H new ATOM 0 HA LEU A 705 5.449 -5.472 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 705 4.905 -6.051 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 705 4.793 -4.367 2.287 1.00 0.00 H new ATOM 0 HG LEU A 705 2.787 -4.123 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.661 -6.165 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.249 -5.943 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 705 3.053 -7.135 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.262 -5.349 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.640 -6.287 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.559 -4.531 3.224 1.00 0.00 H new ATOM 264 N ILE A 706 5.638 -2.299 -0.203 1.00 0.00 N ATOM 265 CA ILE A 706 5.224 -1.024 -0.777 1.00 0.00 C ATOM 266 C ILE A 706 5.193 -1.090 -2.300 1.00 0.00 C ATOM 267 O ILE A 706 6.235 -1.149 -2.951 1.00 0.00 O ATOM 268 CB ILE A 706 6.161 0.119 -0.343 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.899 0.497 1.116 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.977 1.327 -1.250 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.540 -0.684 1.991 1.00 0.00 C ATOM 0 H ILE A 706 6.510 -2.261 0.325 1.00 0.00 H new ATOM 0 HA ILE A 706 4.220 -0.822 -0.404 1.00 0.00 H new ATOM 0 HB ILE A 706 7.192 -0.223 -0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.786 0.983 1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 706 5.090 1.226 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.646 2.127 -0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 706 6.209 1.049 -2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.945 1.672 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 706 5.368 -0.342 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.635 -1.158 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.358 -1.405 1.983 1.00 0.00 H new ATOM 283 N GLY A 707 3.988 -1.079 -2.863 1.00 0.00 N ATOM 284 CA GLY A 707 3.843 -1.137 -4.305 1.00 0.00 C ATOM 285 C GLY A 707 3.115 -2.385 -4.765 1.00 0.00 C ATOM 286 O GLY A 707 2.689 -2.472 -5.916 1.00 0.00 O ATOM 0 H GLY A 707 3.110 -1.031 -2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.300 -0.256 -4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.829 -1.104 -4.768 1.00 0.00 H new ATOM 290 N GLN A 708 2.975 -3.352 -3.865 1.00 0.00 N ATOM 291 CA GLN A 708 2.296 -4.602 -4.186 1.00 0.00 C ATOM 292 C GLN A 708 0.788 -4.394 -4.277 1.00 0.00 C ATOM 293 O GLN A 708 0.254 -3.408 -3.769 1.00 0.00 O ATOM 294 CB GLN A 708 2.614 -5.665 -3.133 1.00 0.00 C ATOM 295 CG GLN A 708 4.102 -5.922 -2.958 1.00 0.00 C ATOM 296 CD GLN A 708 4.841 -5.996 -4.280 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.322 -6.521 -5.266 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.060 -5.470 -4.308 1.00 0.00 N ATOM 0 H GLN A 708 3.322 -3.294 -2.908 1.00 0.00 H new ATOM 0 HA GLN A 708 2.656 -4.943 -5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.192 -5.355 -2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.123 -6.598 -3.410 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.535 -5.129 -2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.244 -6.856 -2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.451 -5.045 -3.468 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.605 -5.491 -5.170 1.00 0.00 H new ATOM 307 N THR A 709 0.105 -5.330 -4.928 1.00 0.00 N ATOM 308 CA THR A 709 -1.342 -5.250 -5.087 1.00 0.00 C ATOM 309 C THR A 709 -2.058 -6.094 -4.040 1.00 0.00 C ATOM 310 O THR A 709 -2.060 -7.323 -4.113 1.00 0.00 O ATOM 311 CB THR A 709 -1.779 -5.712 -6.490 1.00 0.00 C ATOM 312 OG1 THR A 709 -1.185 -4.876 -7.489 1.00 0.00 O ATOM 313 CG2 THR A 709 -3.294 -5.673 -6.624 1.00 0.00 C ATOM 0 H THR A 709 0.531 -6.153 -5.354 1.00 0.00 H new ATOM 0 HA THR A 709 -1.617 -4.204 -4.955 1.00 0.00 H new ATOM 0 HB THR A 709 -1.443 -6.739 -6.631 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.467 -5.178 -8.378 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.580 -6.003 -7.623 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.742 -6.333 -5.881 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.647 -4.654 -6.464 1.00 0.00 H new ATOM 321 N VAL A 710 -2.667 -5.428 -3.064 1.00 0.00 N ATOM 322 CA VAL A 710 -3.389 -6.117 -2.002 1.00 0.00 C ATOM 323 C VAL A 710 -4.887 -5.848 -2.091 1.00 0.00 C ATOM 324 O VAL A 710 -5.315 -4.843 -2.659 1.00 0.00 O ATOM 325 CB VAL A 710 -2.884 -5.691 -0.611 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.396 -5.976 -0.472 1.00 0.00 C ATOM 327 CG2 VAL A 710 -3.178 -4.218 -0.366 1.00 0.00 C ATOM 0 H VAL A 710 -2.674 -4.411 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 710 -3.206 -7.183 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.413 -6.274 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -1.057 -5.668 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.216 -7.043 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.847 -5.421 -1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.815 -3.934 0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.677 -3.616 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.253 -4.048 -0.420 1.00 0.00 H new ATOM 337 N ARG A 711 -5.680 -6.752 -1.525 1.00 0.00 N ATOM 338 CA ARG A 711 -7.131 -6.613 -1.541 1.00 0.00 C ATOM 339 C ARG A 711 -7.704 -6.728 -0.131 1.00 0.00 C ATOM 340 O ARG A 711 -7.615 -7.780 0.502 1.00 0.00 O ATOM 341 CB ARG A 711 -7.757 -7.676 -2.445 1.00 0.00 C ATOM 342 CG ARG A 711 -9.275 -7.708 -2.387 1.00 0.00 C ATOM 343 CD ARG A 711 -9.823 -9.048 -2.853 1.00 0.00 C ATOM 344 NE ARG A 711 -9.877 -10.024 -1.769 1.00 0.00 N ATOM 345 CZ ARG A 711 -10.403 -11.237 -1.898 1.00 0.00 C ATOM 346 NH1 ARG A 711 -10.916 -11.621 -3.058 1.00 0.00 N ATOM 347 NH2 ARG A 711 -10.415 -12.070 -0.864 1.00 0.00 N ATOM 0 H ARG A 711 -5.342 -7.589 -1.050 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.371 -5.625 -1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -7.445 -7.495 -3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -7.370 -8.655 -2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.605 -7.514 -1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.681 -6.911 -3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -10.823 -8.908 -3.264 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -9.198 -9.435 -3.658 1.00 0.00 H new ATOM 0 HE ARG A 711 -9.490 -9.760 -0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -10.908 -10.985 -3.855 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -11.319 -12.553 -3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -10.020 -11.779 0.030 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -10.819 -13.001 -0.964 1.00 0.00 H new ATOM 361 N ILE A 712 -8.290 -5.639 0.354 1.00 0.00 N ATOM 362 CA ILE A 712 -8.877 -5.618 1.688 1.00 0.00 C ATOM 363 C ILE A 712 -9.988 -6.655 1.816 1.00 0.00 C ATOM 364 O ILE A 712 -10.899 -6.710 0.990 1.00 0.00 O ATOM 365 CB ILE A 712 -9.446 -4.229 2.031 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.344 -3.170 1.958 1.00 0.00 C ATOM 367 CG2 ILE A 712 -10.083 -4.243 3.413 1.00 0.00 C ATOM 368 CD1 ILE A 712 -8.869 -1.763 1.774 1.00 0.00 C ATOM 0 H ILE A 712 -8.371 -4.760 -0.157 1.00 0.00 H new ATOM 0 HA ILE A 712 -8.077 -5.857 2.388 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.215 -3.978 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -7.751 -3.211 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.675 -3.410 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.480 -3.254 3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -10.892 -4.973 3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.333 -4.512 4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -8.033 -1.065 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.438 -1.705 0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.515 -1.503 2.612 1.00 0.00 H new ATOM 380 N SER A 713 -9.906 -7.476 2.859 1.00 0.00 N ATOM 381 CA SER A 713 -10.903 -8.514 3.094 1.00 0.00 C ATOM 382 C SER A 713 -11.475 -8.407 4.505 1.00 0.00 C ATOM 383 O SER A 713 -12.163 -9.312 4.976 1.00 0.00 O ATOM 384 CB SER A 713 -10.288 -9.899 2.885 1.00 0.00 C ATOM 385 OG SER A 713 -11.290 -10.870 2.639 1.00 0.00 O ATOM 0 H SER A 713 -9.160 -7.442 3.554 1.00 0.00 H new ATOM 0 HA SER A 713 -11.714 -8.373 2.379 1.00 0.00 H new ATOM 0 HB2 SER A 713 -9.593 -9.869 2.046 1.00 0.00 H new ATOM 0 HB3 SER A 713 -9.712 -10.181 3.766 1.00 0.00 H new ATOM 0 HG SER A 713 -11.998 -10.787 3.311 1.00 0.00 H new ATOM 391 N GLN A 714 -11.185 -7.295 5.172 1.00 0.00 N ATOM 392 CA GLN A 714 -11.669 -7.069 6.528 1.00 0.00 C ATOM 393 C GLN A 714 -12.130 -5.627 6.709 1.00 0.00 C ATOM 394 O GLN A 714 -11.398 -4.687 6.402 1.00 0.00 O ATOM 395 CB GLN A 714 -10.575 -7.399 7.545 1.00 0.00 C ATOM 396 CG GLN A 714 -10.468 -8.881 7.865 1.00 0.00 C ATOM 397 CD GLN A 714 -9.585 -9.156 9.066 1.00 0.00 C ATOM 398 OE1 GLN A 714 -8.590 -9.875 8.968 1.00 0.00 O ATOM 399 NE2 GLN A 714 -9.945 -8.584 10.210 1.00 0.00 N ATOM 0 H GLN A 714 -10.617 -6.536 4.795 1.00 0.00 H new ATOM 0 HA GLN A 714 -12.522 -7.727 6.696 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -9.617 -7.049 7.162 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -10.770 -6.850 8.466 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -11.464 -9.281 8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -10.070 -9.408 6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -10.777 -7.995 10.246 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -9.389 -8.733 11.052 1.00 0.00 H new ATOM 408 N GLY A 715 -13.351 -5.459 7.210 1.00 0.00 N ATOM 409 CA GLY A 715 -13.888 -4.128 7.423 1.00 0.00 C ATOM 410 C GLY A 715 -14.939 -3.756 6.396 1.00 0.00 C ATOM 411 O GLY A 715 -15.497 -4.613 5.709 1.00 0.00 O ATOM 0 H GLY A 715 -13.977 -6.221 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -14.323 -4.070 8.421 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -13.076 -3.402 7.387 1.00 0.00 H new ATOM 415 N PRO A 716 -15.224 -2.451 6.280 1.00 0.00 N ATOM 416 CA PRO A 716 -16.218 -1.938 5.333 1.00 0.00 C ATOM 417 C PRO A 716 -15.758 -2.065 3.885 1.00 0.00 C ATOM 418 O PRO A 716 -16.568 -2.273 2.981 1.00 0.00 O ATOM 419 CB PRO A 716 -16.353 -0.464 5.723 1.00 0.00 C ATOM 420 CG PRO A 716 -15.055 -0.123 6.369 1.00 0.00 C ATOM 421 CD PRO A 716 -14.598 -1.374 7.066 1.00 0.00 C ATOM 0 HA PRO A 716 -17.154 -2.494 5.384 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.537 0.161 4.849 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -17.188 -0.310 6.407 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -14.324 0.200 5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -15.175 0.697 7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.511 -1.458 7.069 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -14.922 -1.395 8.106 1.00 0.00 H new ATOM 429 N TYR A 717 -14.453 -1.940 3.670 1.00 0.00 N ATOM 430 CA TYR A 717 -13.885 -2.040 2.331 1.00 0.00 C ATOM 431 C TYR A 717 -13.468 -3.474 2.021 1.00 0.00 C ATOM 432 O TYR A 717 -12.401 -3.716 1.456 1.00 0.00 O ATOM 433 CB TYR A 717 -12.681 -1.106 2.194 1.00 0.00 C ATOM 434 CG TYR A 717 -12.975 0.323 2.591 1.00 0.00 C ATOM 435 CD1 TYR A 717 -12.808 0.748 3.903 1.00 0.00 C ATOM 436 CD2 TYR A 717 -13.421 1.247 1.654 1.00 0.00 C ATOM 437 CE1 TYR A 717 -13.075 2.053 4.271 1.00 0.00 C ATOM 438 CE2 TYR A 717 -13.690 2.554 2.013 1.00 0.00 C ATOM 439 CZ TYR A 717 -13.516 2.952 3.322 1.00 0.00 C ATOM 440 OH TYR A 717 -13.784 4.252 3.683 1.00 0.00 O ATOM 0 H TYR A 717 -13.768 -1.769 4.406 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.652 -1.742 1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.866 -1.485 2.810 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -12.334 -1.123 1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -12.464 0.046 4.648 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -13.560 0.939 0.628 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -12.939 2.367 5.295 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -14.035 3.260 1.272 1.00 0.00 H new ATOM 0 HH TYR A 717 -14.084 4.755 2.897 1.00 0.00 H new ATOM 450 N LYS A 718 -14.319 -4.424 2.395 1.00 0.00 N ATOM 451 CA LYS A 718 -14.042 -5.836 2.157 1.00 0.00 C ATOM 452 C LYS A 718 -14.324 -6.208 0.704 1.00 0.00 C ATOM 453 O LYS A 718 -15.467 -6.472 0.332 1.00 0.00 O ATOM 454 CB LYS A 718 -14.886 -6.707 3.090 1.00 0.00 C ATOM 455 CG LYS A 718 -14.974 -8.159 2.654 1.00 0.00 C ATOM 456 CD LYS A 718 -15.494 -9.047 3.772 1.00 0.00 C ATOM 457 CE LYS A 718 -15.229 -10.517 3.485 1.00 0.00 C ATOM 458 NZ LYS A 718 -16.011 -11.003 2.315 1.00 0.00 N ATOM 0 H LYS A 718 -15.206 -4.242 2.864 1.00 0.00 H new ATOM 0 HA LYS A 718 -12.986 -6.013 2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.464 -6.663 4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -15.892 -6.292 3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.631 -8.241 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -13.989 -8.506 2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.018 -8.767 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -16.565 -8.887 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -14.165 -10.664 3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -15.483 -11.110 4.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -15.803 -12.009 2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -17.027 -10.886 2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -15.750 -10.454 1.471 1.00 0.00 H new ATOM 472 N GLY A 719 -13.275 -6.229 -0.111 1.00 0.00 N ATOM 473 CA GLY A 719 -13.431 -6.571 -1.513 1.00 0.00 C ATOM 474 C GLY A 719 -12.966 -5.462 -2.436 1.00 0.00 C ATOM 475 O GLY A 719 -13.541 -5.252 -3.504 1.00 0.00 O ATOM 0 H GLY A 719 -12.319 -6.015 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.866 -7.478 -1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.479 -6.792 -1.715 1.00 0.00 H new ATOM 479 N TYR A 720 -11.924 -4.749 -2.024 1.00 0.00 N ATOM 480 CA TYR A 720 -11.385 -3.653 -2.819 1.00 0.00 C ATOM 481 C TYR A 720 -9.883 -3.819 -3.028 1.00 0.00 C ATOM 482 O TYR A 720 -9.180 -4.347 -2.166 1.00 0.00 O ATOM 483 CB TYR A 720 -11.672 -2.313 -2.140 1.00 0.00 C ATOM 484 CG TYR A 720 -13.003 -1.710 -2.528 1.00 0.00 C ATOM 485 CD1 TYR A 720 -14.188 -2.181 -1.976 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.076 -0.669 -3.445 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.407 -1.634 -2.328 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.290 -0.115 -3.801 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.453 -0.601 -3.241 1.00 0.00 C ATOM 490 OH TYR A 720 -16.665 -0.052 -3.593 1.00 0.00 O ATOM 0 H TYR A 720 -11.436 -4.911 -1.143 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.873 -3.670 -3.793 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.646 -2.450 -1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.877 -1.610 -2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -14.156 -2.988 -1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.168 -0.286 -3.887 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.319 -2.013 -1.891 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.328 0.695 -4.514 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.522 0.665 -4.245 1.00 0.00 H new ATOM 500 N ILE A 721 -9.398 -3.363 -4.179 1.00 0.00 N ATOM 501 CA ILE A 721 -7.980 -3.459 -4.501 1.00 0.00 C ATOM 502 C ILE A 721 -7.261 -2.146 -4.210 1.00 0.00 C ATOM 503 O ILE A 721 -7.868 -1.076 -4.226 1.00 0.00 O ATOM 504 CB ILE A 721 -7.763 -3.834 -5.979 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.530 -5.113 -6.322 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.279 -4.006 -6.269 1.00 0.00 C ATOM 507 CD1 ILE A 721 -7.994 -6.344 -5.626 1.00 0.00 C ATOM 0 H ILE A 721 -9.966 -2.924 -4.903 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.565 -4.245 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 721 -8.145 -3.026 -6.603 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.578 -4.981 -6.054 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.494 -5.270 -7.400 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -6.141 -4.271 -7.317 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.757 -3.073 -6.059 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.874 -4.798 -5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.586 -7.212 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -6.954 -6.501 -5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -8.055 -6.207 -4.546 1.00 0.00 H new ATOM 519 N GLY A 722 -5.960 -2.236 -3.946 1.00 0.00 N ATOM 520 CA GLY A 722 -5.178 -1.048 -3.657 1.00 0.00 C ATOM 521 C GLY A 722 -3.694 -1.340 -3.565 1.00 0.00 C ATOM 522 O GLY A 722 -3.292 -2.448 -3.208 1.00 0.00 O ATOM 0 H GLY A 722 -5.435 -3.110 -3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.351 -0.304 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.518 -0.612 -2.718 1.00 0.00 H new ATOM 526 N VAL A 723 -2.875 -0.344 -3.888 1.00 0.00 N ATOM 527 CA VAL A 723 -1.426 -0.499 -3.840 1.00 0.00 C ATOM 528 C VAL A 723 -0.864 -0.007 -2.510 1.00 0.00 C ATOM 529 O VAL A 723 -1.159 1.105 -2.073 1.00 0.00 O ATOM 530 CB VAL A 723 -0.742 0.266 -4.988 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.756 0.367 -4.744 1.00 0.00 C ATOM 532 CG2 VAL A 723 -1.029 -0.408 -6.321 1.00 0.00 C ATOM 0 H VAL A 723 -3.191 0.579 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.218 -1.563 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.149 1.277 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.223 0.911 -5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 723 0.937 0.897 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.183 -0.634 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.538 0.145 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.650 -1.430 -6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -2.105 -0.423 -6.497 1.00 0.00 H new ATOM 542 N VAL A 724 -0.053 -0.844 -1.871 1.00 0.00 N ATOM 543 CA VAL A 724 0.552 -0.494 -0.592 1.00 0.00 C ATOM 544 C VAL A 724 1.492 0.699 -0.736 1.00 0.00 C ATOM 545 O VAL A 724 2.569 0.588 -1.322 1.00 0.00 O ATOM 546 CB VAL A 724 1.334 -1.680 0.003 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.844 -1.340 1.395 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.465 -2.928 0.034 1.00 0.00 C ATOM 0 H VAL A 724 0.200 -1.769 -2.218 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.264 -0.231 0.082 1.00 0.00 H new ATOM 0 HB VAL A 724 2.196 -1.881 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.394 -2.190 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.504 -0.474 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 724 1.000 -1.112 2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 724 1.033 -3.756 0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.417 -2.742 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.155 -3.181 -0.980 1.00 0.00 H new ATOM 558 N LYS A 725 1.077 1.840 -0.197 1.00 0.00 N ATOM 559 CA LYS A 725 1.881 3.055 -0.263 1.00 0.00 C ATOM 560 C LYS A 725 2.891 3.101 0.879 1.00 0.00 C ATOM 561 O LYS A 725 4.042 3.495 0.687 1.00 0.00 O ATOM 562 CB LYS A 725 0.980 4.291 -0.210 1.00 0.00 C ATOM 563 CG LYS A 725 0.002 4.380 -1.369 1.00 0.00 C ATOM 564 CD LYS A 725 0.610 5.108 -2.557 1.00 0.00 C ATOM 565 CE LYS A 725 1.334 4.148 -3.488 1.00 0.00 C ATOM 566 NZ LYS A 725 1.445 4.693 -4.869 1.00 0.00 N ATOM 0 H LYS A 725 0.188 1.949 0.291 1.00 0.00 H new ATOM 0 HA LYS A 725 2.425 3.050 -1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.422 4.284 0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 725 1.604 5.185 -0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.298 3.377 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -0.900 4.899 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 725 -0.175 5.628 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 725 1.307 5.867 -2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 725 2.331 3.945 -3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 725 0.802 3.197 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 1.944 4.009 -5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 0.493 4.863 -5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 1.975 5.588 -4.848 1.00 0.00 H new ATOM 580 N ASP A 726 2.455 2.693 2.066 1.00 0.00 N ATOM 581 CA ASP A 726 3.323 2.686 3.238 1.00 0.00 C ATOM 582 C ASP A 726 3.032 1.477 4.121 1.00 0.00 C ATOM 583 O ASP A 726 1.902 0.993 4.175 1.00 0.00 O ATOM 584 CB ASP A 726 3.143 3.975 4.041 1.00 0.00 C ATOM 585 CG ASP A 726 4.398 4.368 4.795 1.00 0.00 C ATOM 586 OD1 ASP A 726 5.464 4.480 4.155 1.00 0.00 O ATOM 587 OD2 ASP A 726 4.314 4.562 6.026 1.00 0.00 O ATOM 0 H ASP A 726 1.506 2.363 2.242 1.00 0.00 H new ATOM 0 HA ASP A 726 4.356 2.623 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.860 4.783 3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.323 3.848 4.748 1.00 0.00 H new ATOM 592 N ALA A 727 4.060 0.994 4.811 1.00 0.00 N ATOM 593 CA ALA A 727 3.915 -0.158 5.693 1.00 0.00 C ATOM 594 C ALA A 727 4.057 0.249 7.156 1.00 0.00 C ATOM 595 O ALA A 727 5.094 0.768 7.569 1.00 0.00 O ATOM 596 CB ALA A 727 4.939 -1.226 5.339 1.00 0.00 C ATOM 0 H ALA A 727 5.002 1.383 4.776 1.00 0.00 H new ATOM 0 HA ALA A 727 2.915 -0.568 5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.819 -2.080 6.005 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.789 -1.546 4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.944 -0.818 5.450 1.00 0.00 H new ATOM 602 N THR A 728 3.007 0.011 7.936 1.00 0.00 N ATOM 603 CA THR A 728 3.014 0.354 9.352 1.00 0.00 C ATOM 604 C THR A 728 3.166 -0.891 10.219 1.00 0.00 C ATOM 605 O THR A 728 2.917 -2.007 9.766 1.00 0.00 O ATOM 606 CB THR A 728 1.725 1.094 9.757 1.00 0.00 C ATOM 607 OG1 THR A 728 1.220 1.841 8.645 1.00 0.00 O ATOM 608 CG2 THR A 728 1.984 2.030 10.928 1.00 0.00 C ATOM 0 H THR A 728 2.141 -0.418 7.610 1.00 0.00 H new ATOM 0 HA THR A 728 3.868 1.012 9.514 1.00 0.00 H new ATOM 0 HB THR A 728 0.986 0.353 10.062 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.400 2.307 8.910 1.00 0.00 H new ATOM 0 HG21 THR A 728 1.060 2.542 11.196 1.00 0.00 H new ATOM 0 HG22 THR A 728 2.341 1.454 11.782 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.737 2.766 10.646 1.00 0.00 H new ATOM 616 N GLU A 729 3.574 -0.690 11.468 1.00 0.00 N ATOM 617 CA GLU A 729 3.758 -1.798 12.398 1.00 0.00 C ATOM 618 C GLU A 729 2.509 -2.673 12.456 1.00 0.00 C ATOM 619 O GLU A 729 2.550 -3.856 12.116 1.00 0.00 O ATOM 620 CB GLU A 729 4.090 -1.271 13.795 1.00 0.00 C ATOM 621 CG GLU A 729 4.156 -2.357 14.856 1.00 0.00 C ATOM 622 CD GLU A 729 4.813 -1.882 16.137 1.00 0.00 C ATOM 623 OE1 GLU A 729 4.107 -1.292 16.982 1.00 0.00 O ATOM 624 OE2 GLU A 729 6.033 -2.099 16.296 1.00 0.00 O ATOM 0 H GLU A 729 3.783 0.229 11.859 1.00 0.00 H new ATOM 0 HA GLU A 729 4.589 -2.405 12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 729 5.047 -0.751 13.760 1.00 0.00 H new ATOM 0 HB3 GLU A 729 3.339 -0.537 14.085 1.00 0.00 H new ATOM 0 HG2 GLU A 729 3.147 -2.705 15.077 1.00 0.00 H new ATOM 0 HG3 GLU A 729 4.709 -3.210 14.463 1.00 0.00 H new ATOM 631 N SER A 730 1.400 -2.083 12.890 1.00 0.00 N ATOM 632 CA SER A 730 0.140 -2.809 12.998 1.00 0.00 C ATOM 633 C SER A 730 -0.868 -2.302 11.971 1.00 0.00 C ATOM 634 O SER A 730 -2.078 -2.463 12.138 1.00 0.00 O ATOM 635 CB SER A 730 -0.436 -2.667 14.408 1.00 0.00 C ATOM 636 OG SER A 730 0.317 -3.418 15.344 1.00 0.00 O ATOM 0 H SER A 730 1.348 -1.104 13.173 1.00 0.00 H new ATOM 0 HA SER A 730 0.338 -3.862 12.799 1.00 0.00 H new ATOM 0 HB2 SER A 730 -0.440 -1.616 14.699 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.473 -3.004 14.416 1.00 0.00 H new ATOM 0 HG SER A 730 -0.070 -3.309 16.238 1.00 0.00 H new ATOM 642 N THR A 731 -0.361 -1.687 10.906 1.00 0.00 N ATOM 643 CA THR A 731 -1.215 -1.155 9.852 1.00 0.00 C ATOM 644 C THR A 731 -0.444 -0.997 8.547 1.00 0.00 C ATOM 645 O THR A 731 0.772 -1.185 8.507 1.00 0.00 O ATOM 646 CB THR A 731 -1.814 0.207 10.249 1.00 0.00 C ATOM 647 OG1 THR A 731 -0.919 0.900 11.126 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.162 0.028 10.931 1.00 0.00 C ATOM 0 H THR A 731 0.637 -1.545 10.751 1.00 0.00 H new ATOM 0 HA THR A 731 -2.024 -1.872 9.708 1.00 0.00 H new ATOM 0 HB THR A 731 -1.959 0.793 9.341 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.307 1.766 11.372 1.00 0.00 H new ATOM 0 HG21 THR A 731 -3.565 1.004 11.202 1.00 0.00 H new ATOM 0 HG22 THR A 731 -3.851 -0.473 10.250 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.038 -0.576 11.830 1.00 0.00 H new ATOM 656 N ALA A 732 -1.158 -0.651 7.481 1.00 0.00 N ATOM 657 CA ALA A 732 -0.540 -0.465 6.174 1.00 0.00 C ATOM 658 C ALA A 732 -1.317 0.546 5.338 1.00 0.00 C ATOM 659 O ALA A 732 -2.495 0.344 5.040 1.00 0.00 O ATOM 660 CB ALA A 732 -0.443 -1.795 5.443 1.00 0.00 C ATOM 0 H ALA A 732 -2.166 -0.494 7.497 1.00 0.00 H new ATOM 0 HA ALA A 732 0.465 -0.073 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 732 0.020 -1.642 4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 732 0.162 -2.488 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.442 -2.210 5.309 1.00 0.00 H new ATOM 666 N ARG A 733 -0.651 1.633 4.962 1.00 0.00 N ATOM 667 CA ARG A 733 -1.281 2.676 4.162 1.00 0.00 C ATOM 668 C ARG A 733 -1.411 2.239 2.705 1.00 0.00 C ATOM 669 O ARG A 733 -0.442 2.270 1.948 1.00 0.00 O ATOM 670 CB ARG A 733 -0.472 3.972 4.246 1.00 0.00 C ATOM 671 CG ARG A 733 -0.132 4.385 5.668 1.00 0.00 C ATOM 672 CD ARG A 733 -1.320 5.034 6.359 1.00 0.00 C ATOM 673 NE ARG A 733 -1.765 6.241 5.666 1.00 0.00 N ATOM 674 CZ ARG A 733 -2.625 7.111 6.183 1.00 0.00 C ATOM 675 NH1 ARG A 733 -3.131 6.909 7.392 1.00 0.00 N ATOM 676 NH2 ARG A 733 -2.982 8.185 5.491 1.00 0.00 N ATOM 0 H ARG A 733 0.325 1.814 5.199 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.280 2.852 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.452 3.851 3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -1.035 4.774 3.768 1.00 0.00 H new ATOM 0 HG2 ARG A 733 0.187 3.511 6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 733 0.707 5.080 5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -2.143 4.321 6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -1.050 5.284 7.385 1.00 0.00 H new ATOM 0 HE ARG A 733 -1.395 6.426 4.734 1.00 0.00 H new ATOM 0 HH11 ARG A 733 -2.860 6.084 7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 733 -3.791 7.579 7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -2.596 8.344 4.560 1.00 0.00 H new ATOM 0 HH22 ARG A 733 -3.643 8.852 5.890 1.00 0.00 H new ATOM 690 N VAL A 734 -2.617 1.832 2.321 1.00 0.00 N ATOM 691 CA VAL A 734 -2.875 1.389 0.956 1.00 0.00 C ATOM 692 C VAL A 734 -3.697 2.420 0.190 1.00 0.00 C ATOM 693 O VAL A 734 -4.550 3.096 0.762 1.00 0.00 O ATOM 694 CB VAL A 734 -3.616 0.039 0.934 1.00 0.00 C ATOM 695 CG1 VAL A 734 -3.968 -0.354 -0.492 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.777 -1.040 1.602 1.00 0.00 C ATOM 0 H VAL A 734 -3.430 1.800 2.936 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.905 1.270 0.473 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.544 0.145 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.491 -1.310 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.611 0.409 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -3.055 -0.443 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -3.316 -1.987 1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.831 -1.147 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.582 -0.760 2.637 1.00 0.00 H new ATOM 706 N GLU A 735 -3.432 2.533 -1.108 1.00 0.00 N ATOM 707 CA GLU A 735 -4.148 3.482 -1.953 1.00 0.00 C ATOM 708 C GLU A 735 -5.103 2.758 -2.897 1.00 0.00 C ATOM 709 O GLU A 735 -4.681 2.159 -3.887 1.00 0.00 O ATOM 710 CB GLU A 735 -3.160 4.327 -2.759 1.00 0.00 C ATOM 711 CG GLU A 735 -3.821 5.188 -3.822 1.00 0.00 C ATOM 712 CD GLU A 735 -3.005 6.420 -4.166 1.00 0.00 C ATOM 713 OE1 GLU A 735 -2.475 7.059 -3.233 1.00 0.00 O ATOM 714 OE2 GLU A 735 -2.897 6.744 -5.367 1.00 0.00 O ATOM 0 H GLU A 735 -2.728 1.980 -1.597 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.732 4.137 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.604 4.970 -2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.436 3.667 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -3.972 4.594 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -4.807 5.495 -3.474 1.00 0.00 H new ATOM 721 N LEU A 736 -6.393 2.816 -2.583 1.00 0.00 N ATOM 722 CA LEU A 736 -7.410 2.166 -3.402 1.00 0.00 C ATOM 723 C LEU A 736 -7.256 2.552 -4.870 1.00 0.00 C ATOM 724 O LEU A 736 -6.614 3.551 -5.195 1.00 0.00 O ATOM 725 CB LEU A 736 -8.808 2.542 -2.908 1.00 0.00 C ATOM 726 CG LEU A 736 -9.301 1.803 -1.663 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.597 2.416 -1.156 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.489 0.323 -1.961 1.00 0.00 C ATOM 0 H LEU A 736 -6.759 3.307 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.278 1.088 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.823 3.612 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.517 2.364 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.547 1.903 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.932 1.877 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.430 3.463 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.359 2.348 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.840 -0.187 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.223 0.203 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.539 -0.108 -2.275 1.00 0.00 H new ATOM 740 N HIS A 737 -7.851 1.755 -5.751 1.00 0.00 N ATOM 741 CA HIS A 737 -7.783 2.016 -7.185 1.00 0.00 C ATOM 742 C HIS A 737 -9.011 2.788 -7.656 1.00 0.00 C ATOM 743 O HIS A 737 -8.951 3.532 -8.635 1.00 0.00 O ATOM 744 CB HIS A 737 -7.664 0.702 -7.958 1.00 0.00 C ATOM 745 CG HIS A 737 -6.279 0.132 -7.963 1.00 0.00 C ATOM 746 ND1 HIS A 737 -5.810 -0.696 -8.960 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.260 0.277 -7.085 1.00 0.00 C ATOM 748 CE1 HIS A 737 -4.561 -1.037 -8.694 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.204 -0.460 -7.562 1.00 0.00 N ATOM 0 H HIS A 737 -8.385 0.924 -5.498 1.00 0.00 H new ATOM 0 HA HIS A 737 -6.899 2.624 -7.377 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.347 -0.028 -7.524 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -7.984 0.865 -8.987 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.343 -0.998 -9.775 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -5.274 0.863 -6.178 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -3.938 -1.679 -9.300 1.00 0.00 H new ATOM 757 N SER A 738 -10.124 2.606 -6.953 1.00 0.00 N ATOM 758 CA SER A 738 -11.368 3.282 -7.302 1.00 0.00 C ATOM 759 C SER A 738 -11.393 4.700 -6.739 1.00 0.00 C ATOM 760 O SER A 738 -11.237 5.676 -7.473 1.00 0.00 O ATOM 761 CB SER A 738 -12.568 2.492 -6.777 1.00 0.00 C ATOM 762 OG SER A 738 -12.914 1.441 -7.663 1.00 0.00 O ATOM 0 H SER A 738 -10.190 1.996 -6.138 1.00 0.00 H new ATOM 0 HA SER A 738 -11.428 3.340 -8.389 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.335 2.082 -5.794 1.00 0.00 H new ATOM 0 HB3 SER A 738 -13.420 3.160 -6.650 1.00 0.00 H new ATOM 0 HG SER A 738 -13.683 0.950 -7.304 1.00 0.00 H new ATOM 768 N THR A 739 -11.589 4.806 -5.428 1.00 0.00 N ATOM 769 CA THR A 739 -11.635 6.102 -4.764 1.00 0.00 C ATOM 770 C THR A 739 -10.307 6.837 -4.900 1.00 0.00 C ATOM 771 O THR A 739 -10.240 8.055 -4.728 1.00 0.00 O ATOM 772 CB THR A 739 -11.978 5.956 -3.270 1.00 0.00 C ATOM 773 OG1 THR A 739 -10.873 5.377 -2.568 1.00 0.00 O ATOM 774 CG2 THR A 739 -13.215 5.091 -3.080 1.00 0.00 C ATOM 0 H THR A 739 -11.718 4.009 -4.805 1.00 0.00 H new ATOM 0 HA THR A 739 -12.418 6.680 -5.254 1.00 0.00 H new ATOM 0 HB THR A 739 -12.183 6.949 -2.869 1.00 0.00 H new ATOM 0 HG1 THR A 739 -11.032 5.435 -1.603 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.437 5.003 -2.017 1.00 0.00 H new ATOM 0 HG22 THR A 739 -14.062 5.550 -3.591 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.034 4.100 -3.496 1.00 0.00 H new ATOM 782 N CYS A 740 -9.252 6.091 -5.209 1.00 0.00 N ATOM 783 CA CYS A 740 -7.924 6.672 -5.367 1.00 0.00 C ATOM 784 C CYS A 740 -7.500 7.413 -4.103 1.00 0.00 C ATOM 785 O CYS A 740 -6.928 8.500 -4.172 1.00 0.00 O ATOM 786 CB CYS A 740 -7.901 7.625 -6.563 1.00 0.00 C ATOM 787 SG CYS A 740 -7.497 6.828 -8.135 1.00 0.00 S ATOM 0 H CYS A 740 -9.291 5.082 -5.355 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.218 5.860 -5.544 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -8.876 8.104 -6.651 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -7.174 8.414 -6.371 1.00 0.00 H new ATOM 0 HG CYS A 740 -8.054 5.654 -8.182 1.00 0.00 H new ATOM 793 N GLN A 741 -7.787 6.817 -2.950 1.00 0.00 N ATOM 794 CA GLN A 741 -7.438 7.422 -1.670 1.00 0.00 C ATOM 795 C GLN A 741 -6.578 6.477 -0.838 1.00 0.00 C ATOM 796 O GLN A 741 -6.737 5.257 -0.901 1.00 0.00 O ATOM 797 CB GLN A 741 -8.703 7.795 -0.896 1.00 0.00 C ATOM 798 CG GLN A 741 -9.533 8.876 -1.570 1.00 0.00 C ATOM 799 CD GLN A 741 -10.312 9.717 -0.579 1.00 0.00 C ATOM 800 OE1 GLN A 741 -10.469 9.342 0.583 1.00 0.00 O ATOM 801 NE2 GLN A 741 -10.806 10.863 -1.034 1.00 0.00 N ATOM 0 H GLN A 741 -8.260 5.916 -2.876 1.00 0.00 H new ATOM 0 HA GLN A 741 -6.863 8.326 -1.869 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -9.317 6.903 -0.769 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -8.422 8.133 0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -8.876 9.523 -2.152 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -10.227 8.412 -2.271 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -10.652 11.135 -2.005 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -11.339 11.471 -0.412 1.00 0.00 H new ATOM 810 N THR A 742 -5.666 7.047 -0.056 1.00 0.00 N ATOM 811 CA THR A 742 -4.780 6.255 0.788 1.00 0.00 C ATOM 812 C THR A 742 -5.386 6.039 2.170 1.00 0.00 C ATOM 813 O THR A 742 -5.460 6.965 2.977 1.00 0.00 O ATOM 814 CB THR A 742 -3.403 6.928 0.943 1.00 0.00 C ATOM 815 OG1 THR A 742 -2.897 7.309 -0.341 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.417 5.991 1.625 1.00 0.00 C ATOM 0 H THR A 742 -5.522 8.055 0.010 1.00 0.00 H new ATOM 0 HA THR A 742 -4.652 5.291 0.296 1.00 0.00 H new ATOM 0 HB THR A 742 -3.524 7.816 1.563 1.00 0.00 H new ATOM 0 HG1 THR A 742 -2.022 7.737 -0.234 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.452 6.488 1.724 1.00 0.00 H new ATOM 0 HG22 THR A 742 -2.791 5.726 2.614 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.301 5.087 1.027 1.00 0.00 H new ATOM 824 N ILE A 743 -5.818 4.811 2.436 1.00 0.00 N ATOM 825 CA ILE A 743 -6.415 4.473 3.721 1.00 0.00 C ATOM 826 C ILE A 743 -5.517 3.531 4.515 1.00 0.00 C ATOM 827 O ILE A 743 -4.721 2.786 3.942 1.00 0.00 O ATOM 828 CB ILE A 743 -7.798 3.818 3.545 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.679 2.540 2.712 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.766 4.794 2.893 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.767 1.529 2.999 1.00 0.00 C ATOM 0 H ILE A 743 -5.765 4.033 1.778 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.531 5.408 4.269 1.00 0.00 H new ATOM 0 HB ILE A 743 -8.187 3.553 4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.707 2.801 1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.709 2.081 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.739 4.317 2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.869 5.679 3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.384 5.086 1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.620 0.649 2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.726 1.239 4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.740 1.970 2.782 1.00 0.00 H new ATOM 843 N SER A 744 -5.650 3.567 5.837 1.00 0.00 N ATOM 844 CA SER A 744 -4.849 2.718 6.710 1.00 0.00 C ATOM 845 C SER A 744 -5.624 1.466 7.110 1.00 0.00 C ATOM 846 O SER A 744 -6.731 1.550 7.643 1.00 0.00 O ATOM 847 CB SER A 744 -4.426 3.490 7.961 1.00 0.00 C ATOM 848 OG SER A 744 -5.555 3.915 8.704 1.00 0.00 O ATOM 0 H SER A 744 -6.306 4.176 6.327 1.00 0.00 H new ATOM 0 HA SER A 744 -3.958 2.414 6.161 1.00 0.00 H new ATOM 0 HB2 SER A 744 -3.793 2.859 8.585 1.00 0.00 H new ATOM 0 HB3 SER A 744 -3.829 4.356 7.674 1.00 0.00 H new ATOM 0 HG SER A 744 -6.323 3.347 8.485 1.00 0.00 H new ATOM 854 N VAL A 745 -5.034 0.303 6.849 1.00 0.00 N ATOM 855 CA VAL A 745 -5.667 -0.967 7.182 1.00 0.00 C ATOM 856 C VAL A 745 -4.663 -1.936 7.797 1.00 0.00 C ATOM 857 O VAL A 745 -3.489 -1.949 7.426 1.00 0.00 O ATOM 858 CB VAL A 745 -6.300 -1.621 5.939 1.00 0.00 C ATOM 859 CG1 VAL A 745 -6.987 -2.926 6.314 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.279 -0.665 5.275 1.00 0.00 C ATOM 0 H VAL A 745 -4.119 0.215 6.408 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.450 -0.750 7.908 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.508 -1.847 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.428 -3.374 5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.256 -3.612 6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.770 -2.728 7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.717 -1.143 4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -8.069 -0.406 5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.754 0.240 4.970 1.00 0.00 H new ATOM 870 N ASP A 746 -5.133 -2.747 8.739 1.00 0.00 N ATOM 871 CA ASP A 746 -4.278 -3.721 9.406 1.00 0.00 C ATOM 872 C ASP A 746 -3.554 -4.596 8.387 1.00 0.00 C ATOM 873 O ASP A 746 -4.177 -5.172 7.494 1.00 0.00 O ATOM 874 CB ASP A 746 -5.104 -4.595 10.351 1.00 0.00 C ATOM 875 CG ASP A 746 -4.294 -5.100 11.529 1.00 0.00 C ATOM 876 OD1 ASP A 746 -3.935 -4.279 12.398 1.00 0.00 O ATOM 877 OD2 ASP A 746 -4.021 -6.318 11.581 1.00 0.00 O ATOM 0 H ASP A 746 -6.102 -2.749 9.058 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.533 -3.176 9.986 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -5.956 -4.023 10.718 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -5.505 -5.445 9.798 1.00 0.00 H new ATOM 882 N ARG A 747 -2.236 -4.690 8.525 1.00 0.00 N ATOM 883 CA ARG A 747 -1.427 -5.493 7.616 1.00 0.00 C ATOM 884 C ARG A 747 -2.068 -6.857 7.378 1.00 0.00 C ATOM 885 O ARG A 747 -1.981 -7.411 6.283 1.00 0.00 O ATOM 886 CB ARG A 747 -0.015 -5.671 8.177 1.00 0.00 C ATOM 887 CG ARG A 747 0.707 -4.359 8.438 1.00 0.00 C ATOM 888 CD ARG A 747 2.215 -4.550 8.468 1.00 0.00 C ATOM 889 NE ARG A 747 2.694 -4.917 9.797 1.00 0.00 N ATOM 890 CZ ARG A 747 2.713 -6.165 10.253 1.00 0.00 C ATOM 891 NH1 ARG A 747 2.281 -7.160 9.489 1.00 0.00 N ATOM 892 NH2 ARG A 747 3.164 -6.420 11.474 1.00 0.00 N ATOM 0 H ARG A 747 -1.705 -4.220 9.258 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.368 -4.968 6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 747 -0.071 -6.236 9.107 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.572 -6.266 7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.446 -3.638 7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.373 -3.941 9.388 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.496 -5.325 7.755 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.703 -3.629 8.148 1.00 0.00 H new ATOM 0 HE ARG A 747 3.033 -4.175 10.409 1.00 0.00 H new ATOM 0 HH11 ARG A 747 1.933 -6.968 8.550 1.00 0.00 H new ATOM 0 HH12 ARG A 747 2.297 -8.117 9.841 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.497 -5.658 12.064 1.00 0.00 H new ATOM 0 HH22 ARG A 747 3.178 -7.378 11.823 1.00 0.00 H new ATOM 906 N GLN A 748 -2.710 -7.391 8.412 1.00 0.00 N ATOM 907 CA GLN A 748 -3.363 -8.691 8.316 1.00 0.00 C ATOM 908 C GLN A 748 -4.687 -8.580 7.567 1.00 0.00 C ATOM 909 O GLN A 748 -5.032 -9.448 6.764 1.00 0.00 O ATOM 910 CB GLN A 748 -3.600 -9.271 9.711 1.00 0.00 C ATOM 911 CG GLN A 748 -2.449 -10.125 10.219 1.00 0.00 C ATOM 912 CD GLN A 748 -2.566 -11.575 9.793 1.00 0.00 C ATOM 913 OE1 GLN A 748 -3.102 -12.408 10.524 1.00 0.00 O ATOM 914 NE2 GLN A 748 -2.063 -11.885 8.603 1.00 0.00 N ATOM 0 H GLN A 748 -2.792 -6.944 9.325 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.706 -9.359 7.760 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -3.771 -8.453 10.411 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -4.509 -9.873 9.696 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -1.508 -9.717 9.850 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -2.415 -10.072 11.307 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -1.627 -11.163 8.030 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -2.113 -12.845 8.263 1.00 0.00 H new ATOM 923 N ARG A 749 -5.425 -7.508 7.834 1.00 0.00 N ATOM 924 CA ARG A 749 -6.712 -7.284 7.186 1.00 0.00 C ATOM 925 C ARG A 749 -6.561 -7.272 5.668 1.00 0.00 C ATOM 926 O ARG A 749 -7.525 -7.498 4.936 1.00 0.00 O ATOM 927 CB ARG A 749 -7.323 -5.964 7.660 1.00 0.00 C ATOM 928 CG ARG A 749 -8.075 -6.079 8.975 1.00 0.00 C ATOM 929 CD ARG A 749 -8.980 -4.878 9.206 1.00 0.00 C ATOM 930 NE ARG A 749 -9.960 -5.126 10.260 1.00 0.00 N ATOM 931 CZ ARG A 749 -10.818 -4.210 10.695 1.00 0.00 C ATOM 932 NH1 ARG A 749 -10.817 -2.993 10.170 1.00 0.00 N ATOM 933 NH2 ARG A 749 -11.680 -4.512 11.658 1.00 0.00 N ATOM 0 H ARG A 749 -5.154 -6.780 8.495 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.377 -8.103 7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.530 -5.224 7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -8.003 -5.592 6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.672 -6.991 8.976 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.363 -6.163 9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -8.373 -4.013 9.472 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -9.499 -4.631 8.280 1.00 0.00 H new ATOM 0 HE ARG A 749 -9.987 -6.053 10.685 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -10.156 -2.757 9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -11.477 -2.292 10.506 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -11.684 -5.448 12.064 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -12.339 -3.808 11.992 1.00 0.00 H new ATOM 947 N LEU A 750 -5.346 -7.006 5.201 1.00 0.00 N ATOM 948 CA LEU A 750 -5.069 -6.963 3.770 1.00 0.00 C ATOM 949 C LEU A 750 -4.682 -8.343 3.249 1.00 0.00 C ATOM 950 O LEU A 750 -3.941 -9.080 3.900 1.00 0.00 O ATOM 951 CB LEU A 750 -3.949 -5.962 3.477 1.00 0.00 C ATOM 952 CG LEU A 750 -4.081 -4.593 4.144 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.734 -3.889 4.188 1.00 0.00 C ATOM 954 CD2 LEU A 750 -5.107 -3.740 3.413 1.00 0.00 C ATOM 0 H LEU A 750 -4.537 -6.817 5.793 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.977 -6.643 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -3.003 -6.405 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.894 -5.815 2.398 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.424 -4.741 5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -2.847 -2.916 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -2.026 -4.492 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.361 -3.753 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.188 -2.769 3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.793 -3.600 2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -6.076 -4.238 3.434 1.00 0.00 H new ATOM 966 N THR A 751 -5.186 -8.687 2.068 1.00 0.00 N ATOM 967 CA THR A 751 -4.893 -9.978 1.458 1.00 0.00 C ATOM 968 C THR A 751 -4.194 -9.806 0.115 1.00 0.00 C ATOM 969 O THR A 751 -4.841 -9.607 -0.914 1.00 0.00 O ATOM 970 CB THR A 751 -6.175 -10.807 1.254 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.838 -11.001 2.508 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.853 -12.157 0.631 1.00 0.00 C ATOM 0 H THR A 751 -5.800 -8.089 1.515 1.00 0.00 H new ATOM 0 HA THR A 751 -4.232 -10.508 2.143 1.00 0.00 H new ATOM 0 HB THR A 751 -6.831 -10.259 0.578 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.653 -11.527 2.369 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.774 -12.725 0.497 1.00 0.00 H new ATOM 0 HG22 THR A 751 -5.375 -12.006 -0.337 1.00 0.00 H new ATOM 0 HG23 THR A 751 -5.179 -12.709 1.286 1.00 0.00 H new ATOM 980 N THR A 752 -2.866 -9.883 0.129 1.00 0.00 N ATOM 981 CA THR A 752 -2.079 -9.735 -1.088 1.00 0.00 C ATOM 982 C THR A 752 -2.749 -10.434 -2.265 1.00 0.00 C ATOM 983 O THR A 752 -2.941 -11.650 -2.251 1.00 0.00 O ATOM 984 CB THR A 752 -0.658 -10.302 -0.911 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.713 -11.554 -0.217 1.00 0.00 O ATOM 986 CG2 THR A 752 0.221 -9.329 -0.140 1.00 0.00 C ATOM 0 H THR A 752 -2.314 -10.047 0.971 1.00 0.00 H new ATOM 0 HA THR A 752 -2.013 -8.666 -1.293 1.00 0.00 H new ATOM 0 HB THR A 752 -0.226 -10.453 -1.900 1.00 0.00 H new ATOM 0 HG1 THR A 752 -1.435 -12.103 -0.589 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.220 -9.751 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.285 -8.387 -0.684 1.00 0.00 H new ATOM 0 HG23 THR A 752 -0.211 -9.151 0.845 1.00 0.00 H new ATOM 994 N VAL A 753 -3.104 -9.658 -3.284 1.00 0.00 N ATOM 995 CA VAL A 753 -3.752 -10.203 -4.471 1.00 0.00 C ATOM 996 C VAL A 753 -2.901 -11.295 -5.109 1.00 0.00 C ATOM 997 O VAL A 753 -3.409 -12.348 -5.493 1.00 0.00 O ATOM 998 CB VAL A 753 -4.026 -9.105 -5.516 1.00 0.00 C ATOM 999 CG1 VAL A 753 -4.666 -9.700 -6.761 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -4.905 -8.014 -4.924 1.00 0.00 C ATOM 0 H VAL A 753 -2.954 -8.650 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 753 -4.701 -10.629 -4.146 1.00 0.00 H new ATOM 0 HB VAL A 753 -3.075 -8.657 -5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -4.852 -8.909 -7.488 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.996 -10.442 -7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -5.609 -10.176 -6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -5.088 -7.247 -5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.854 -8.444 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -4.403 -7.568 -4.065 1.00 0.00 H new