USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 589 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 25 ASN : amide:sc= -1.71 K(o=-1.3,f=-11!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 173:sc= 0.409 (180deg=-0.00921) USER MOD Set 2.1: A 7 THR OG1 : rot 117:sc= -0.78 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 144:sc= 0.287 (180deg=-2.49!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 14 THR OG1 : rot -49:sc= 1 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= -3.3 (180deg=-7.1!) USER MOD Single : A 31 GLN : amide:sc= -3.15 K(o=-3.2,f=-6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.2 K(o=-2.2,f=-5!) USER MOD Single : A 41 GLN : amide:sc= -4.26 K(o=-4.3,f=-8.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00268 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -50:sc= 1.17 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -100:sc= -0.43 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 68 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.0023) USER MOD ----------------------------------------------------------------- ATOM 326 N GLN A 2 -3.145 -8.617 6.981 1.00 0.00 N ATOM 327 CA GLN A 2 -2.065 -7.666 7.215 1.00 0.00 C ATOM 328 C GLN A 2 -1.523 -7.124 5.897 1.00 0.00 C ATOM 329 O GLN A 2 -0.855 -7.836 5.150 1.00 0.00 O ATOM 330 CB GLN A 2 -0.936 -8.325 8.009 1.00 0.00 C ATOM 331 CG GLN A 2 -0.266 -9.475 7.276 1.00 0.00 C ATOM 332 CD GLN A 2 0.520 -10.380 8.204 1.00 0.00 C ATOM 333 OE1 GLN A 2 -0.053 -11.097 9.023 1.00 0.00 O ATOM 334 NE2 GLN A 2 1.843 -10.350 8.079 1.00 0.00 N ATOM 0 HA GLN A 2 -2.468 -6.834 7.793 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.185 -7.572 8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.335 -8.691 8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.025 -10.062 6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.402 -9.075 6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.276 -9.740 7.386 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.425 -10.937 8.676 1.00 0.00 H new ATOM 343 N ILE A 3 -1.814 -5.857 5.619 1.00 0.00 N ATOM 344 CA ILE A 3 -1.352 -5.220 4.392 1.00 0.00 C ATOM 345 C ILE A 3 -0.037 -4.487 4.623 1.00 0.00 C ATOM 346 O ILE A 3 0.388 -4.305 5.762 1.00 0.00 O ATOM 347 CB ILE A 3 -2.394 -4.223 3.849 1.00 0.00 C ATOM 348 CG1 ILE A 3 -2.757 -3.196 4.923 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.636 -4.961 3.371 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.514 -2.004 4.391 1.00 0.00 C ATOM 0 H ILE A 3 -2.367 -5.252 6.226 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.203 -6.012 3.658 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.961 -3.695 3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.358 -3.683 5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.843 -2.849 5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.362 -4.243 2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.363 -5.656 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.074 -5.513 4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.737 -1.319 5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.908 -1.492 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.445 -2.339 3.934 1.00 0.00 H new ATOM 362 N PHE A 4 0.607 -4.068 3.539 1.00 0.00 N ATOM 363 CA PHE A 4 1.875 -3.355 3.642 1.00 0.00 C ATOM 364 C PHE A 4 1.773 -1.966 3.021 1.00 0.00 C ATOM 365 O PHE A 4 1.704 -1.820 1.802 1.00 0.00 O ATOM 366 CB PHE A 4 2.998 -4.159 2.980 1.00 0.00 C ATOM 367 CG PHE A 4 4.003 -4.678 3.969 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.621 -3.812 4.854 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.316 -6.026 4.027 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.533 -4.275 5.782 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.228 -6.499 4.953 1.00 0.00 C ATOM 372 CZ PHE A 4 5.836 -5.621 5.832 1.00 0.00 C ATOM 0 H PHE A 4 0.275 -4.208 2.585 1.00 0.00 H new ATOM 0 HA PHE A 4 2.111 -3.235 4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.565 -4.998 2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.506 -3.531 2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.387 -2.758 4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.843 -6.715 3.342 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.007 -3.587 6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.465 -7.552 4.990 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.547 -5.988 6.557 1.00 0.00 H new ATOM 382 N VAL A 5 1.767 -0.947 3.876 1.00 0.00 N ATOM 383 CA VAL A 5 1.676 0.433 3.419 1.00 0.00 C ATOM 384 C VAL A 5 3.045 0.963 3.008 1.00 0.00 C ATOM 385 O VAL A 5 3.887 1.260 3.857 1.00 0.00 O ATOM 386 CB VAL A 5 1.089 1.349 4.512 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.864 2.752 3.970 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.206 0.766 5.059 1.00 0.00 C ATOM 0 H VAL A 5 1.824 -1.053 4.889 1.00 0.00 H new ATOM 0 HA VAL A 5 1.011 0.440 2.555 1.00 0.00 H new ATOM 0 HB VAL A 5 1.806 1.412 5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.449 3.383 4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.813 3.168 3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.168 2.711 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.605 1.426 5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.932 0.670 4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.010 -0.216 5.489 1.00 0.00 H new ATOM 398 N LYS A 6 3.260 1.075 1.701 1.00 0.00 N ATOM 399 CA LYS A 6 4.525 1.569 1.171 1.00 0.00 C ATOM 400 C LYS A 6 4.461 3.072 0.921 1.00 0.00 C ATOM 401 O LYS A 6 3.540 3.563 0.267 1.00 0.00 O ATOM 402 CB LYS A 6 4.877 0.840 -0.127 1.00 0.00 C ATOM 403 CG LYS A 6 6.355 0.895 -0.476 1.00 0.00 C ATOM 404 CD LYS A 6 6.576 0.820 -1.978 1.00 0.00 C ATOM 405 CE LYS A 6 6.739 2.204 -2.586 1.00 0.00 C ATOM 406 NZ LYS A 6 7.998 2.862 -2.140 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.573 0.830 0.988 1.00 0.00 H new ATOM 0 HA LYS A 6 5.301 1.375 1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.571 -0.203 -0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.303 1.275 -0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.787 1.818 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.876 0.071 0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.463 0.223 -2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.733 0.313 -2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.736 2.125 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.887 2.825 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.393 3.423 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.796 3.487 -1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.686 2.137 -1.853 1.00 0.00 H new ATOM 420 N THR A 7 5.444 3.798 1.444 1.00 0.00 N ATOM 421 CA THR A 7 5.496 5.246 1.275 1.00 0.00 C ATOM 422 C THR A 7 6.303 5.621 0.036 1.00 0.00 C ATOM 423 O THR A 7 7.007 4.787 -0.534 1.00 0.00 O ATOM 424 CB THR A 7 6.107 5.903 2.514 1.00 0.00 C ATOM 425 OG1 THR A 7 7.504 5.667 2.568 1.00 0.00 O ATOM 426 CG2 THR A 7 5.508 5.408 3.812 1.00 0.00 C ATOM 0 H THR A 7 6.214 3.408 1.987 1.00 0.00 H new ATOM 0 HA THR A 7 4.476 5.608 1.145 1.00 0.00 H new ATOM 0 HB THR A 7 5.888 6.966 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.983 6.520 2.502 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.987 5.915 4.650 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.439 5.619 3.823 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.667 4.333 3.899 1.00 0.00 H new ATOM 434 N LEU A 8 6.197 6.881 -0.375 1.00 0.00 N ATOM 435 CA LEU A 8 6.917 7.366 -1.546 1.00 0.00 C ATOM 436 C LEU A 8 8.422 7.187 -1.372 1.00 0.00 C ATOM 437 O LEU A 8 9.106 6.694 -2.268 1.00 0.00 O ATOM 438 CB LEU A 8 6.592 8.840 -1.796 1.00 0.00 C ATOM 439 CG LEU A 8 5.319 9.093 -2.607 1.00 0.00 C ATOM 440 CD1 LEU A 8 4.506 10.224 -2.003 1.00 0.00 C ATOM 441 CD2 LEU A 8 5.660 9.427 -4.044 1.00 0.00 C ATOM 0 H LEU A 8 5.619 7.584 0.086 1.00 0.00 H new ATOM 0 HA LEU A 8 6.597 6.780 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.498 9.344 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.433 9.299 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 8 4.724 8.180 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.607 10.384 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.225 9.965 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.102 11.136 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.742 9.603 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.280 10.323 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.204 8.595 -4.492 1.00 0.00 H new ATOM 453 N THR A 9 8.929 7.590 -0.211 1.00 0.00 N ATOM 454 CA THR A 9 10.353 7.473 0.082 1.00 0.00 C ATOM 455 C THR A 9 10.797 6.014 0.037 1.00 0.00 C ATOM 456 O THR A 9 11.941 5.713 -0.302 1.00 0.00 O ATOM 457 CB THR A 9 10.664 8.072 1.453 1.00 0.00 C ATOM 458 OG1 THR A 9 9.972 7.374 2.474 1.00 0.00 O ATOM 459 CG2 THR A 9 10.294 9.535 1.565 1.00 0.00 C ATOM 0 H THR A 9 8.376 8.000 0.541 1.00 0.00 H new ATOM 0 HA THR A 9 10.903 8.026 -0.679 1.00 0.00 H new ATOM 0 HB THR A 9 11.743 7.977 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.185 7.771 3.344 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.541 9.897 2.563 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.849 10.109 0.823 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.225 9.654 1.390 1.00 0.00 H new ATOM 467 N GLY A 10 9.883 5.112 0.383 1.00 0.00 N ATOM 468 CA GLY A 10 10.198 3.696 0.377 1.00 0.00 C ATOM 469 C GLY A 10 10.079 3.067 1.751 1.00 0.00 C ATOM 470 O GLY A 10 11.047 2.520 2.276 1.00 0.00 O ATOM 0 H GLY A 10 8.930 5.337 0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.529 3.182 -0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.212 3.555 0.003 1.00 0.00 H new ATOM 474 N LYS A 11 8.887 3.146 2.334 1.00 0.00 N ATOM 475 CA LYS A 11 8.646 2.580 3.657 1.00 0.00 C ATOM 476 C LYS A 11 7.396 1.705 3.657 1.00 0.00 C ATOM 477 O LYS A 11 6.274 2.208 3.709 1.00 0.00 O ATOM 478 CB LYS A 11 8.505 3.693 4.697 1.00 0.00 C ATOM 479 CG LYS A 11 8.168 3.185 6.092 1.00 0.00 C ATOM 480 CD LYS A 11 9.304 3.414 7.069 1.00 0.00 C ATOM 481 CE LYS A 11 9.776 2.112 7.696 1.00 0.00 C ATOM 482 NZ LYS A 11 10.912 2.328 8.635 1.00 0.00 N1+ ATOM 0 H LYS A 11 8.074 3.595 1.912 1.00 0.00 H new ATOM 0 HA LYS A 11 9.502 1.958 3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.436 4.258 4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.727 4.385 4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.271 3.688 6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.939 2.120 6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.137 3.893 6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.978 4.098 7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.948 1.645 8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.081 1.420 6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.205 1.417 9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.711 2.751 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.614 2.968 9.399 1.00 0.00 H new ATOM 496 N THR A 12 7.601 0.393 3.604 1.00 0.00 N ATOM 497 CA THR A 12 6.495 -0.557 3.604 1.00 0.00 C ATOM 498 C THR A 12 6.318 -1.167 4.991 1.00 0.00 C ATOM 499 O THR A 12 7.145 -1.963 5.436 1.00 0.00 O ATOM 500 CB THR A 12 6.745 -1.661 2.575 1.00 0.00 C ATOM 501 OG1 THR A 12 7.697 -1.245 1.612 1.00 0.00 O ATOM 502 CG2 THR A 12 5.496 -2.080 1.832 1.00 0.00 C ATOM 0 H THR A 12 8.525 -0.037 3.560 1.00 0.00 H new ATOM 0 HA THR A 12 5.582 -0.025 3.336 1.00 0.00 H new ATOM 0 HB THR A 12 7.111 -2.512 3.150 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.844 -1.966 0.964 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.744 -2.866 1.118 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.759 -2.454 2.542 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.084 -1.223 1.300 1.00 0.00 H new ATOM 510 N ILE A 13 5.244 -0.786 5.677 1.00 0.00 N ATOM 511 CA ILE A 13 4.982 -1.301 7.017 1.00 0.00 C ATOM 512 C ILE A 13 3.763 -2.215 7.053 1.00 0.00 C ATOM 513 O ILE A 13 2.752 -1.951 6.402 1.00 0.00 O ATOM 514 CB ILE A 13 4.774 -0.164 8.032 1.00 0.00 C ATOM 515 CG1 ILE A 13 6.034 0.669 8.167 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.402 -0.740 9.375 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.223 -0.138 8.591 1.00 0.00 C ATOM 0 H ILE A 13 4.546 -0.128 5.330 1.00 0.00 H new ATOM 0 HA ILE A 13 5.866 -1.877 7.292 1.00 0.00 H new ATOM 0 HB ILE A 13 3.968 0.477 7.674 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.249 1.150 7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.862 1.463 8.893 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.256 0.069 10.090 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.480 -1.313 9.282 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.201 -1.393 9.725 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.094 0.512 8.671 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.024 -0.598 9.559 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.417 -0.916 7.852 1.00 0.00 H new ATOM 529 N THR A 14 3.867 -3.288 7.834 1.00 0.00 N ATOM 530 CA THR A 14 2.775 -4.241 7.972 1.00 0.00 C ATOM 531 C THR A 14 1.687 -3.670 8.871 1.00 0.00 C ATOM 532 O THR A 14 1.883 -3.503 10.075 1.00 0.00 O ATOM 533 CB THR A 14 3.286 -5.563 8.549 1.00 0.00 C ATOM 534 OG1 THR A 14 4.672 -5.717 8.301 1.00 0.00 O ATOM 535 CG2 THR A 14 2.579 -6.776 7.980 1.00 0.00 C ATOM 0 H THR A 14 4.698 -3.517 8.380 1.00 0.00 H new ATOM 0 HA THR A 14 2.357 -4.429 6.983 1.00 0.00 H new ATOM 0 HB THR A 14 3.081 -5.511 9.618 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.858 -5.534 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.988 -7.680 8.430 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.513 -6.712 8.199 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.726 -6.810 6.901 1.00 0.00 H new ATOM 543 N LEU A 15 0.544 -3.364 8.275 1.00 0.00 N ATOM 544 CA LEU A 15 -0.575 -2.800 9.013 1.00 0.00 C ATOM 545 C LEU A 15 -1.843 -3.614 8.771 1.00 0.00 C ATOM 546 O LEU A 15 -2.313 -3.732 7.639 1.00 0.00 O ATOM 547 CB LEU A 15 -0.779 -1.341 8.598 1.00 0.00 C ATOM 548 CG LEU A 15 -1.509 -0.464 9.614 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.828 -1.099 10.018 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.634 -0.220 10.835 1.00 0.00 C ATOM 0 H LEU A 15 0.367 -3.498 7.279 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.353 -2.836 10.080 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.197 -0.899 8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.336 -1.322 7.661 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.722 0.498 9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.333 -0.460 10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.459 -1.219 9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.640 -2.075 10.465 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.170 0.406 11.548 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.388 -1.173 11.303 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.284 0.282 10.530 1.00 0.00 H new ATOM 562 N GLU A 16 -2.383 -4.184 9.844 1.00 0.00 N ATOM 563 CA GLU A 16 -3.589 -4.999 9.755 1.00 0.00 C ATOM 564 C GLU A 16 -4.843 -4.132 9.780 1.00 0.00 C ATOM 565 O GLU A 16 -4.988 -3.255 10.630 1.00 0.00 O ATOM 566 CB GLU A 16 -3.631 -6.007 10.905 1.00 0.00 C ATOM 567 CG GLU A 16 -4.833 -6.920 10.870 1.00 0.00 C ATOM 568 CD GLU A 16 -6.073 -6.279 11.464 1.00 0.00 C ATOM 569 OE1 GLU A 16 -6.008 -5.828 12.626 1.00 0.00 O ATOM 570 OE2 GLU A 16 -7.107 -6.229 10.766 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.003 -4.096 10.787 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.563 -5.535 8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.725 -6.613 10.878 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.625 -5.466 11.851 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.036 -7.207 9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.605 -7.835 11.416 1.00 0.00 H new ATOM 577 N VAL A 17 -5.748 -4.389 8.840 1.00 0.00 N ATOM 578 CA VAL A 17 -6.993 -3.638 8.748 1.00 0.00 C ATOM 579 C VAL A 17 -8.106 -4.491 8.148 1.00 0.00 C ATOM 580 O VAL A 17 -7.980 -4.995 7.031 1.00 0.00 O ATOM 581 CB VAL A 17 -6.825 -2.367 7.895 1.00 0.00 C ATOM 582 CG1 VAL A 17 -6.096 -1.288 8.680 1.00 0.00 C ATOM 583 CG2 VAL A 17 -6.093 -2.685 6.601 1.00 0.00 C ATOM 0 H VAL A 17 -5.641 -5.114 8.130 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.262 -3.351 9.765 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.815 -1.989 7.640 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.987 -0.398 8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.668 -1.040 9.574 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.110 -1.652 8.969 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.984 -1.775 6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.107 -3.089 6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.663 -3.420 6.032 1.00 0.00 H new ATOM 593 N GLU A 18 -9.194 -4.649 8.892 1.00 0.00 N ATOM 594 CA GLU A 18 -10.327 -5.439 8.429 1.00 0.00 C ATOM 595 C GLU A 18 -10.953 -4.809 7.186 1.00 0.00 C ATOM 596 O GLU A 18 -11.081 -3.588 7.100 1.00 0.00 O ATOM 597 CB GLU A 18 -11.376 -5.563 9.536 1.00 0.00 C ATOM 598 CG GLU A 18 -11.037 -6.615 10.580 1.00 0.00 C ATOM 599 CD GLU A 18 -10.480 -6.011 11.855 1.00 0.00 C ATOM 600 OE1 GLU A 18 -11.277 -5.478 12.656 1.00 0.00 O1- ATOM 601 OE2 GLU A 18 -9.249 -6.071 12.052 1.00 0.00 O ATOM 0 H GLU A 18 -9.315 -4.240 9.819 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.965 -6.434 8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.488 -4.597 10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.339 -5.806 9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.933 -7.190 10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.310 -7.313 10.165 1.00 0.00 H new ATOM 608 N PRO A 19 -11.352 -5.633 6.200 1.00 0.00 N ATOM 609 CA PRO A 19 -11.963 -5.138 4.963 1.00 0.00 C ATOM 610 C PRO A 19 -13.183 -4.262 5.231 1.00 0.00 C ATOM 611 O PRO A 19 -13.436 -3.296 4.511 1.00 0.00 O ATOM 612 CB PRO A 19 -12.377 -6.414 4.225 1.00 0.00 C ATOM 613 CG PRO A 19 -11.498 -7.481 4.780 1.00 0.00 C ATOM 614 CD PRO A 19 -11.240 -7.103 6.212 1.00 0.00 C ATOM 0 HA PRO A 19 -11.275 -4.510 4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.430 -6.643 4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.240 -6.310 3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.980 -8.456 4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.565 -7.548 4.220 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.968 -7.556 6.885 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.254 -7.429 6.543 1.00 0.00 H new ATOM 622 N SER A 20 -13.934 -4.606 6.271 1.00 0.00 N ATOM 623 CA SER A 20 -15.128 -3.852 6.636 1.00 0.00 C ATOM 624 C SER A 20 -14.757 -2.510 7.259 1.00 0.00 C ATOM 625 O SER A 20 -15.467 -1.519 7.090 1.00 0.00 O ATOM 626 CB SER A 20 -15.989 -4.659 7.610 1.00 0.00 C ATOM 627 OG SER A 20 -17.368 -4.468 7.351 1.00 0.00 O ATOM 0 H SER A 20 -13.737 -5.403 6.877 1.00 0.00 H new ATOM 0 HA SER A 20 -15.699 -3.664 5.727 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.743 -5.718 7.526 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.763 -4.360 8.634 1.00 0.00 H new ATOM 0 HG SER A 20 -17.896 -4.996 7.986 1.00 0.00 H new ATOM 633 N ASP A 21 -13.640 -2.486 7.978 1.00 0.00 N ATOM 634 CA ASP A 21 -13.175 -1.266 8.627 1.00 0.00 C ATOM 635 C ASP A 21 -12.932 -0.163 7.601 1.00 0.00 C ATOM 636 O ASP A 21 -12.285 -0.384 6.579 1.00 0.00 O ATOM 637 CB ASP A 21 -11.891 -1.537 9.414 1.00 0.00 C ATOM 638 CG ASP A 21 -12.167 -1.915 10.856 1.00 0.00 C ATOM 639 OD1 ASP A 21 -13.272 -1.606 11.351 1.00 0.00 O ATOM 640 OD2 ASP A 21 -11.278 -2.521 11.491 1.00 0.00 O1- ATOM 0 H ASP A 21 -13.040 -3.297 8.126 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.951 -0.934 9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.334 -2.340 8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.258 -0.650 9.388 1.00 0.00 H new ATOM 645 N THR A 22 -13.458 1.026 7.882 1.00 0.00 N ATOM 646 CA THR A 22 -13.298 2.163 6.985 1.00 0.00 C ATOM 647 C THR A 22 -11.836 2.587 6.898 1.00 0.00 C ATOM 648 O THR A 22 -10.987 2.072 7.624 1.00 0.00 O ATOM 649 CB THR A 22 -14.155 3.338 7.458 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.803 3.716 8.778 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.639 3.040 7.447 1.00 0.00 C ATOM 0 H THR A 22 -13.998 1.226 8.724 1.00 0.00 H new ATOM 0 HA THR A 22 -13.628 1.859 5.992 1.00 0.00 H new ATOM 0 HB THR A 22 -13.957 4.143 6.750 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.361 4.470 9.062 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.188 3.915 7.794 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.953 2.793 6.433 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.846 2.197 8.107 1.00 0.00 H new ATOM 659 N ILE A 23 -11.549 3.530 6.006 1.00 0.00 N ATOM 660 CA ILE A 23 -10.190 4.023 5.826 1.00 0.00 C ATOM 661 C ILE A 23 -9.691 4.726 7.084 1.00 0.00 C ATOM 662 O ILE A 23 -8.499 4.702 7.390 1.00 0.00 O ATOM 663 CB ILE A 23 -10.094 4.994 4.633 1.00 0.00 C ATOM 664 CG1 ILE A 23 -10.722 4.369 3.385 1.00 0.00 C ATOM 665 CG2 ILE A 23 -8.645 5.372 4.369 1.00 0.00 C ATOM 666 CD1 ILE A 23 -10.122 3.031 3.011 1.00 0.00 C ATOM 0 H ILE A 23 -12.240 3.967 5.397 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.563 3.154 5.625 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.646 5.901 4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.792 4.245 3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.607 5.057 2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.596 6.058 3.523 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.228 5.855 5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.070 4.474 4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.615 2.648 2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.057 3.152 2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.261 2.328 3.832 1.00 0.00 H new ATOM 678 N GLU A 24 -10.611 5.354 7.809 1.00 0.00 N ATOM 679 CA GLU A 24 -10.264 6.067 9.032 1.00 0.00 C ATOM 680 C GLU A 24 -9.615 5.131 10.047 1.00 0.00 C ATOM 681 O GLU A 24 -8.655 5.503 10.718 1.00 0.00 O ATOM 682 CB GLU A 24 -11.510 6.715 9.641 1.00 0.00 C ATOM 683 CG GLU A 24 -11.240 8.067 10.282 1.00 0.00 C ATOM 684 CD GLU A 24 -12.508 8.865 10.513 1.00 0.00 C ATOM 685 OE1 GLU A 24 -13.450 8.730 9.705 1.00 0.00 O ATOM 686 OE2 GLU A 24 -12.558 9.625 11.503 1.00 0.00 O1- ATOM 0 H GLU A 24 -11.602 5.383 7.570 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.546 6.846 8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.264 6.835 8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.929 6.044 10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.730 7.919 11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.566 8.639 9.645 1.00 0.00 H new ATOM 693 N ASN A 25 -10.143 3.915 10.153 1.00 0.00 N ATOM 694 CA ASN A 25 -9.609 2.926 11.086 1.00 0.00 C ATOM 695 C ASN A 25 -8.183 2.540 10.701 1.00 0.00 C ATOM 696 O ASN A 25 -7.358 2.216 11.558 1.00 0.00 O ATOM 697 CB ASN A 25 -10.499 1.682 11.110 1.00 0.00 C ATOM 698 CG ASN A 25 -10.083 0.693 12.180 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.634 -0.413 11.879 1.00 0.00 O ATOM 700 ND2 ASN A 25 -10.229 1.087 13.439 1.00 0.00 N ATOM 0 H ASN A 25 -10.940 3.590 9.605 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.594 3.369 12.082 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.533 1.982 11.279 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.464 1.195 10.136 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.965 0.464 14.202 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.605 2.013 13.643 1.00 0.00 H new ATOM 707 N VAL A 26 -7.902 2.586 9.407 1.00 0.00 N ATOM 708 CA VAL A 26 -6.579 2.251 8.895 1.00 0.00 C ATOM 709 C VAL A 26 -5.617 3.393 9.159 1.00 0.00 C ATOM 710 O VAL A 26 -4.608 3.221 9.843 1.00 0.00 O ATOM 711 CB VAL A 26 -6.630 1.941 7.392 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.405 1.145 6.962 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.910 1.188 7.068 1.00 0.00 C ATOM 0 H VAL A 26 -8.575 2.853 8.689 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.229 1.358 9.413 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.625 2.879 6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.463 0.937 5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.504 1.722 7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.370 0.205 7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.943 0.969 6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.935 0.255 7.630 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.771 1.799 7.340 1.00 0.00 H new ATOM 723 N LYS A 27 -5.959 4.580 8.662 1.00 0.00 N ATOM 724 CA LYS A 27 -5.137 5.755 8.908 1.00 0.00 C ATOM 725 C LYS A 27 -5.024 5.955 10.412 1.00 0.00 C ATOM 726 O LYS A 27 -4.079 6.562 10.910 1.00 0.00 O ATOM 727 CB LYS A 27 -5.746 6.993 8.248 1.00 0.00 C ATOM 728 CG LYS A 27 -6.045 6.807 6.770 1.00 0.00 C ATOM 729 CD LYS A 27 -4.806 6.377 6.001 1.00 0.00 C ATOM 730 CE LYS A 27 -5.124 5.272 5.006 1.00 0.00 C ATOM 731 NZ LYS A 27 -4.905 3.920 5.588 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.789 4.749 8.094 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.147 5.607 8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.668 7.255 8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.062 7.833 8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.828 6.059 6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.427 7.740 6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.388 7.234 5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.044 6.031 6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.160 5.364 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.500 5.391 4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.594 3.253 5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.941 3.599 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.027 3.962 6.620 1.00 0.00 H new ATOM 745 N ALA A 28 -6.001 5.399 11.125 1.00 0.00 N ATOM 746 CA ALA A 28 -6.043 5.454 12.570 1.00 0.00 C ATOM 747 C ALA A 28 -4.873 4.668 13.145 1.00 0.00 C ATOM 748 O ALA A 28 -4.052 5.204 13.890 1.00 0.00 O ATOM 749 CB ALA A 28 -7.363 4.876 13.053 1.00 0.00 C ATOM 0 H ALA A 28 -6.785 4.898 10.708 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.965 6.488 12.906 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.401 4.915 14.142 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.187 5.458 12.641 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.449 3.841 12.724 1.00 0.00 H new ATOM 755 N LYS A 29 -4.798 3.393 12.773 1.00 0.00 N ATOM 756 CA LYS A 29 -3.719 2.529 13.229 1.00 0.00 C ATOM 757 C LYS A 29 -2.385 3.039 12.699 1.00 0.00 C ATOM 758 O LYS A 29 -1.398 3.107 13.432 1.00 0.00 O ATOM 759 CB LYS A 29 -3.954 1.090 12.767 1.00 0.00 C ATOM 760 CG LYS A 29 -5.227 0.473 13.322 1.00 0.00 C ATOM 761 CD LYS A 29 -5.531 -0.863 12.664 1.00 0.00 C ATOM 762 CE LYS A 29 -7.024 -1.052 12.452 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.768 -1.098 13.742 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.472 2.938 12.158 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.697 2.543 14.319 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.995 1.069 11.678 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.103 0.478 13.066 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.126 0.335 14.399 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.062 1.156 13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.016 -0.923 11.705 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.145 -1.672 13.285 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.410 -0.237 11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.198 -1.975 11.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.791 -1.109 13.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.504 -1.957 14.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.530 -0.260 14.310 1.00 0.00 H new ATOM 777 N ILE A 30 -2.367 3.411 11.421 1.00 0.00 N ATOM 778 CA ILE A 30 -1.159 3.933 10.795 1.00 0.00 C ATOM 779 C ILE A 30 -0.718 5.217 11.489 1.00 0.00 C ATOM 780 O ILE A 30 0.474 5.507 11.590 1.00 0.00 O ATOM 781 CB ILE A 30 -1.374 4.209 9.287 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.700 2.906 8.554 1.00 0.00 C ATOM 783 CG2 ILE A 30 -0.140 4.866 8.680 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.931 3.088 7.070 1.00 0.00 C ATOM 0 H ILE A 30 -3.175 3.360 10.801 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.382 3.175 10.897 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.215 4.894 9.176 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.882 2.201 8.702 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.589 2.461 9.000 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.311 5.052 7.620 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.056 5.811 9.187 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.719 4.206 8.799 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.157 2.123 6.616 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.768 3.768 6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.034 3.504 6.611 1.00 0.00 H new ATOM 796 N GLN A 31 -1.696 5.977 11.972 1.00 0.00 N ATOM 797 CA GLN A 31 -1.427 7.230 12.664 1.00 0.00 C ATOM 798 C GLN A 31 -0.689 6.976 13.975 1.00 0.00 C ATOM 799 O GLN A 31 0.389 7.520 14.206 1.00 0.00 O ATOM 800 CB GLN A 31 -2.740 7.976 12.933 1.00 0.00 C ATOM 801 CG GLN A 31 -2.577 9.209 13.809 1.00 0.00 C ATOM 802 CD GLN A 31 -3.864 9.999 13.945 1.00 0.00 C ATOM 803 OE1 GLN A 31 -3.883 11.214 13.748 1.00 0.00 O ATOM 804 NE2 GLN A 31 -4.947 9.313 14.285 1.00 0.00 N ATOM 0 H GLN A 31 -2.686 5.744 11.896 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.792 7.846 12.027 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.180 8.274 11.981 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.444 7.294 13.410 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.235 8.905 14.798 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.803 9.851 13.387 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.886 8.307 14.439 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.841 9.792 14.393 1.00 0.00 H new ATOM 813 N ASP A 32 -1.279 6.149 14.831 1.00 0.00 N ATOM 814 CA ASP A 32 -0.678 5.827 16.121 1.00 0.00 C ATOM 815 C ASP A 32 0.563 4.954 15.951 1.00 0.00 C ATOM 816 O ASP A 32 1.453 4.954 16.801 1.00 0.00 O ATOM 817 CB ASP A 32 -1.694 5.116 17.017 1.00 0.00 C ATOM 818 CG ASP A 32 -1.489 5.429 18.486 1.00 0.00 C ATOM 819 OD1 ASP A 32 -0.990 6.531 18.793 1.00 0.00 O ATOM 820 OD2 ASP A 32 -1.826 4.571 19.328 1.00 0.00 O1- ATOM 0 H ASP A 32 -2.172 5.689 14.655 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.376 6.763 16.591 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.702 5.410 16.723 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.618 4.039 16.864 1.00 0.00 H new ATOM 825 N LYS A 33 0.615 4.207 14.852 1.00 0.00 N ATOM 826 CA LYS A 33 1.747 3.328 14.579 1.00 0.00 C ATOM 827 C LYS A 33 2.962 4.121 14.108 1.00 0.00 C ATOM 828 O LYS A 33 3.927 4.297 14.852 1.00 0.00 O ATOM 829 CB LYS A 33 1.369 2.286 13.524 1.00 0.00 C ATOM 830 CG LYS A 33 0.672 1.063 14.097 1.00 0.00 C ATOM 831 CD LYS A 33 1.120 -0.210 13.406 1.00 0.00 C ATOM 832 CE LYS A 33 2.160 -0.957 14.226 1.00 0.00 C ATOM 833 NZ LYS A 33 3.546 -0.663 13.768 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.112 4.193 14.137 1.00 0.00 H new ATOM 0 HA LYS A 33 2.007 2.822 15.509 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.718 2.751 12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.271 1.968 13.001 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.881 0.991 15.164 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.407 1.175 13.990 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.258 -0.855 13.236 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.534 0.033 12.427 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.059 -0.683 15.276 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.975 -2.029 14.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.224 -1.192 14.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.651 -0.948 12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.732 0.356 13.858 1.00 0.00 H new ATOM 847 N GLU A 34 2.910 4.590 12.866 1.00 0.00 N ATOM 848 CA GLU A 34 4.009 5.357 12.289 1.00 0.00 C ATOM 849 C GLU A 34 4.068 6.771 12.865 1.00 0.00 C ATOM 850 O GLU A 34 5.103 7.434 12.791 1.00 0.00 O ATOM 851 CB GLU A 34 3.866 5.420 10.767 1.00 0.00 C ATOM 852 CG GLU A 34 4.652 4.341 10.038 1.00 0.00 C ATOM 853 CD GLU A 34 5.961 4.856 9.473 1.00 0.00 C ATOM 854 OE1 GLU A 34 6.707 5.526 10.218 1.00 0.00 O1- ATOM 855 OE2 GLU A 34 6.241 4.588 8.285 1.00 0.00 O ATOM 0 H GLU A 34 2.118 4.452 12.239 1.00 0.00 H new ATOM 0 HA GLU A 34 4.939 4.849 12.545 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.812 5.330 10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.198 6.398 10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.855 3.518 10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.044 3.938 9.228 1.00 0.00 H new ATOM 862 N GLY A 35 2.958 7.231 13.431 1.00 0.00 N ATOM 863 CA GLY A 35 2.918 8.566 13.998 1.00 0.00 C ATOM 864 C GLY A 35 2.565 9.617 12.964 1.00 0.00 C ATOM 865 O GLY A 35 2.993 10.767 13.064 1.00 0.00 O ATOM 0 H GLY A 35 2.087 6.705 13.507 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.187 8.594 14.806 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.888 8.802 14.437 1.00 0.00 H new ATOM 869 N ILE A 36 1.786 9.216 11.963 1.00 0.00 N ATOM 870 CA ILE A 36 1.379 10.125 10.898 1.00 0.00 C ATOM 871 C ILE A 36 -0.144 10.188 10.778 1.00 0.00 C ATOM 872 O ILE A 36 -0.770 9.260 10.266 1.00 0.00 O ATOM 873 CB ILE A 36 1.966 9.692 9.540 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.434 9.290 9.695 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.826 10.814 8.521 1.00 0.00 C ATOM 876 CD1 ILE A 36 4.040 8.724 8.430 1.00 0.00 C ATOM 0 H ILE A 36 1.424 8.267 11.868 1.00 0.00 H new ATOM 0 HA ILE A 36 1.763 11.111 11.160 1.00 0.00 H new ATOM 0 HB ILE A 36 1.408 8.827 9.182 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.010 10.161 10.007 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.518 8.551 10.491 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.245 10.494 7.567 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.772 11.058 8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.361 11.695 8.874 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.082 8.460 8.612 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.488 7.834 8.129 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.988 9.469 7.636 1.00 0.00 H new ATOM 888 N PRO A 37 -0.763 11.287 11.247 1.00 0.00 N ATOM 889 CA PRO A 37 -2.219 11.456 11.184 1.00 0.00 C ATOM 890 C PRO A 37 -2.766 11.243 9.774 1.00 0.00 C ATOM 891 O PRO A 37 -2.065 11.471 8.788 1.00 0.00 O ATOM 892 CB PRO A 37 -2.430 12.906 11.624 1.00 0.00 C ATOM 893 CG PRO A 37 -1.241 13.224 12.463 1.00 0.00 C ATOM 894 CD PRO A 37 -0.099 12.445 11.874 1.00 0.00 C ATOM 0 HA PRO A 37 -2.740 10.728 11.806 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.499 13.574 10.766 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.355 13.017 12.190 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.031 14.293 12.452 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.410 12.943 13.502 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.455 13.035 11.144 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.613 12.135 12.639 1.00 0.00 H new ATOM 902 N PRO A 38 -4.030 10.798 9.659 1.00 0.00 N ATOM 903 CA PRO A 38 -4.666 10.554 8.359 1.00 0.00 C ATOM 904 C PRO A 38 -4.608 11.776 7.447 1.00 0.00 C ATOM 905 O PRO A 38 -4.276 11.665 6.267 1.00 0.00 O ATOM 906 CB PRO A 38 -6.117 10.231 8.723 1.00 0.00 C ATOM 907 CG PRO A 38 -6.058 9.742 10.129 1.00 0.00 C ATOM 908 CD PRO A 38 -4.936 10.499 10.783 1.00 0.00 C ATOM 0 HA PRO A 38 -4.165 9.759 7.806 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.752 11.113 8.637 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.532 9.474 8.058 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.002 9.920 10.644 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.875 8.668 10.161 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.292 11.409 11.266 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.442 9.903 11.551 1.00 0.00 H new ATOM 916 N ASP A 39 -4.936 12.938 8.001 1.00 0.00 N ATOM 917 CA ASP A 39 -4.924 14.181 7.236 1.00 0.00 C ATOM 918 C ASP A 39 -3.511 14.531 6.784 1.00 0.00 C ATOM 919 O ASP A 39 -3.319 15.143 5.733 1.00 0.00 O ATOM 920 CB ASP A 39 -5.503 15.323 8.072 1.00 0.00 C ATOM 921 CG ASP A 39 -7.002 15.201 8.260 1.00 0.00 C ATOM 922 OD1 ASP A 39 -7.734 15.260 7.250 1.00 0.00 O ATOM 923 OD2 ASP A 39 -7.445 15.046 9.418 1.00 0.00 O1- ATOM 0 H ASP A 39 -5.213 13.046 8.977 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.542 14.038 6.350 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.017 15.337 9.048 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.277 16.274 7.589 1.00 0.00 H new ATOM 928 N GLN A 40 -2.524 14.142 7.584 1.00 0.00 N ATOM 929 CA GLN A 40 -1.127 14.418 7.265 1.00 0.00 C ATOM 930 C GLN A 40 -0.693 13.662 6.014 1.00 0.00 C ATOM 931 O GLN A 40 -0.156 14.250 5.077 1.00 0.00 O ATOM 932 CB GLN A 40 -0.229 14.038 8.444 1.00 0.00 C ATOM 933 CG GLN A 40 0.010 15.180 9.420 1.00 0.00 C ATOM 934 CD GLN A 40 1.475 15.549 9.542 1.00 0.00 C ATOM 935 OE1 GLN A 40 2.289 15.201 8.685 1.00 0.00 O ATOM 936 NE2 GLN A 40 1.821 16.258 10.610 1.00 0.00 N ATOM 0 H GLN A 40 -2.665 13.635 8.458 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.029 15.486 7.072 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.680 13.202 8.979 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.731 13.691 8.062 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.555 16.054 9.095 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.373 14.900 10.401 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.115 16.525 11.296 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.793 16.535 10.745 1.00 0.00 H new ATOM 945 N GLN A 41 -0.922 12.354 6.004 1.00 0.00 N ATOM 946 CA GLN A 41 -0.545 11.528 4.865 1.00 0.00 C ATOM 947 C GLN A 41 -1.758 10.830 4.259 1.00 0.00 C ATOM 948 O GLN A 41 -2.623 10.327 4.977 1.00 0.00 O ATOM 949 CB GLN A 41 0.499 10.494 5.283 1.00 0.00 C ATOM 950 CG GLN A 41 0.050 9.592 6.422 1.00 0.00 C ATOM 951 CD GLN A 41 -0.863 8.472 5.963 1.00 0.00 C ATOM 952 OE1 GLN A 41 -1.022 8.236 4.765 1.00 0.00 O ATOM 953 NE2 GLN A 41 -1.467 7.774 6.917 1.00 0.00 N ATOM 0 H GLN A 41 -1.365 11.845 6.769 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.117 12.183 4.106 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.750 9.876 4.421 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.411 11.012 5.580 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.927 9.163 6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.467 10.191 7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.306 8.005 7.897 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.092 7.007 6.670 1.00 0.00 H new ATOM 962 N ARG A 42 -1.808 10.801 2.931 1.00 0.00 N ATOM 963 CA ARG A 42 -2.907 10.160 2.219 1.00 0.00 C ATOM 964 C ARG A 42 -2.531 8.737 1.820 1.00 0.00 C ATOM 965 O ARG A 42 -1.452 8.253 2.161 1.00 0.00 O ATOM 966 CB ARG A 42 -3.278 10.973 0.976 1.00 0.00 C ATOM 967 CG ARG A 42 -4.030 12.256 1.291 1.00 0.00 C ATOM 968 CD ARG A 42 -3.080 13.432 1.456 1.00 0.00 C ATOM 969 NE ARG A 42 -3.687 14.522 2.217 1.00 0.00 N ATOM 970 CZ ARG A 42 -3.231 15.773 2.209 1.00 0.00 C ATOM 971 NH1 ARG A 42 -2.168 16.096 1.485 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -3.844 16.704 2.930 1.00 0.00 N ATOM 0 H ARG A 42 -1.099 11.215 2.326 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.769 10.117 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.368 11.220 0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.889 10.356 0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.739 12.469 0.491 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.610 12.124 2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.174 13.098 1.961 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.781 13.798 0.474 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.507 14.313 2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.694 15.384 0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.824 17.056 1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.662 16.460 3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.497 17.663 2.926 1.00 0.00 H new ATOM 986 N LEU A 43 -3.425 8.070 1.097 1.00 0.00 N ATOM 987 CA LEU A 43 -3.177 6.702 0.657 1.00 0.00 C ATOM 988 C LEU A 43 -3.877 6.419 -0.667 1.00 0.00 C ATOM 989 O LEU A 43 -5.046 6.759 -0.849 1.00 0.00 O ATOM 990 CB LEU A 43 -3.650 5.711 1.728 1.00 0.00 C ATOM 991 CG LEU A 43 -3.046 4.310 1.656 1.00 0.00 C ATOM 992 CD1 LEU A 43 -1.570 4.390 1.349 1.00 0.00 C ATOM 993 CD2 LEU A 43 -3.279 3.561 2.957 1.00 0.00 C ATOM 0 H LEU A 43 -4.324 8.453 0.804 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.104 6.580 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.426 6.132 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.734 5.622 1.659 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.538 3.762 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.153 3.384 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.424 4.889 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.065 4.955 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.842 2.565 2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.813 4.105 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.350 3.475 3.140 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.153 5.794 -1.590 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.702 5.464 -2.899 1.00 0.00 C ATOM 1007 C ILE A 44 -3.489 3.990 -3.226 1.00 0.00 C ATOM 1008 O ILE A 44 -2.486 3.394 -2.830 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.065 6.322 -4.011 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.132 7.807 -3.643 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.759 6.070 -5.341 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -1.859 8.564 -3.953 1.00 0.00 C ATOM 0 H ILE A 44 -2.184 5.506 -1.455 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.770 5.675 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.017 6.038 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.960 8.269 -4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.351 7.900 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.297 6.683 -6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.664 5.017 -5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.814 6.328 -5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.978 9.609 -3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.031 8.127 -3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.650 8.502 -5.021 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.438 3.406 -3.951 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.353 2.000 -4.331 1.00 0.00 C ATOM 1026 C PHE A 45 -5.135 1.732 -5.613 1.00 0.00 C ATOM 1027 O PHE A 45 -6.338 1.983 -5.681 1.00 0.00 O ATOM 1028 CB PHE A 45 -4.883 1.114 -3.202 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.415 -0.311 -3.290 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.066 -0.605 -3.413 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -5.324 -1.356 -3.250 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -2.633 -1.915 -3.494 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -4.897 -2.667 -3.332 1.00 0.00 C ATOM 1034 CZ PHE A 45 -3.550 -2.948 -3.453 1.00 0.00 C ATOM 0 H PHE A 45 -5.274 3.884 -4.287 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.305 1.761 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.571 1.532 -2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.973 1.132 -3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.345 0.199 -3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.378 -1.143 -3.154 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.579 -2.131 -3.589 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.616 -3.472 -3.302 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.214 -3.973 -3.515 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.443 1.221 -6.627 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.072 0.918 -7.908 1.00 0.00 C ATOM 1046 C ALA A 46 -5.783 2.141 -8.477 1.00 0.00 C ATOM 1047 O ALA A 46 -6.882 2.035 -9.023 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.047 -0.240 -7.754 1.00 0.00 C ATOM 0 H ALA A 46 -3.446 1.008 -6.586 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.289 0.630 -8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.510 -0.456 -8.717 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.512 -1.122 -7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.819 0.028 -7.032 1.00 0.00 H new ATOM 1054 N GLY A 47 -5.151 3.302 -8.344 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.739 4.528 -8.848 1.00 0.00 C ATOM 1056 C GLY A 47 -6.966 4.949 -8.062 1.00 0.00 C ATOM 1057 O GLY A 47 -7.824 5.666 -8.576 1.00 0.00 O ATOM 0 H GLY A 47 -4.242 3.415 -7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.997 5.325 -8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.011 4.393 -9.895 1.00 0.00 H new ATOM 1061 N LYS A 48 -7.050 4.503 -6.812 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.180 4.838 -5.955 1.00 0.00 C ATOM 1063 C LYS A 48 -7.730 5.687 -4.770 1.00 0.00 C ATOM 1064 O LYS A 48 -6.667 5.452 -4.194 1.00 0.00 O ATOM 1065 CB LYS A 48 -8.863 3.564 -5.454 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.268 2.613 -6.568 1.00 0.00 C ATOM 1067 CD LYS A 48 -10.371 3.204 -7.431 1.00 0.00 C ATOM 1068 CE LYS A 48 -10.564 2.407 -8.711 1.00 0.00 C ATOM 1069 NZ LYS A 48 -11.624 2.995 -9.577 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.348 3.909 -6.371 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.892 5.416 -6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.190 3.045 -4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.749 3.838 -4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.401 2.387 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.607 1.670 -6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.304 3.222 -6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.127 4.237 -7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.624 2.371 -9.262 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.827 1.379 -8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.725 2.423 -10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.527 3.006 -9.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.361 3.967 -9.836 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.544 6.674 -4.412 1.00 0.00 N ATOM 1084 CA GLN A 49 -8.229 7.559 -3.296 1.00 0.00 C ATOM 1085 C GLN A 49 -8.817 7.026 -1.995 1.00 0.00 C ATOM 1086 O GLN A 49 -10.021 7.129 -1.757 1.00 0.00 O ATOM 1087 CB GLN A 49 -8.760 8.967 -3.570 1.00 0.00 C ATOM 1088 CG GLN A 49 -7.949 9.733 -4.603 1.00 0.00 C ATOM 1089 CD GLN A 49 -6.741 10.424 -4.002 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -5.601 10.030 -4.246 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -6.986 11.460 -3.210 1.00 0.00 N ATOM 0 H GLN A 49 -9.427 6.882 -4.878 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.145 7.600 -3.193 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.793 8.897 -3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.770 9.531 -2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.619 9.046 -5.382 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.587 10.476 -5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.947 11.752 -3.035 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.213 11.964 -2.776 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.960 6.458 -1.153 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.394 5.910 0.127 1.00 0.00 C ATOM 1102 C LEU A 50 -8.814 7.026 1.080 1.00 0.00 C ATOM 1103 O LEU A 50 -8.126 7.310 2.062 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.274 5.079 0.756 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.252 3.605 0.349 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.185 3.464 -1.164 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.087 2.892 1.006 1.00 0.00 C ATOM 0 H LEU A 50 -6.961 6.365 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.255 5.267 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.317 5.528 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.364 5.139 1.841 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.177 3.141 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.170 2.407 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.057 3.939 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.279 3.944 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.086 1.844 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.153 3.359 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.184 2.959 2.090 1.00 0.00 H new ATOM 1119 N GLU A 51 -9.945 7.658 0.782 1.00 0.00 N ATOM 1120 CA GLU A 51 -10.455 8.745 1.611 1.00 0.00 C ATOM 1121 C GLU A 51 -10.976 8.217 2.943 1.00 0.00 C ATOM 1122 O GLU A 51 -11.395 7.064 3.046 1.00 0.00 O ATOM 1123 CB GLU A 51 -11.568 9.494 0.876 1.00 0.00 C ATOM 1124 CG GLU A 51 -11.238 9.805 -0.575 1.00 0.00 C ATOM 1125 CD GLU A 51 -11.881 11.090 -1.057 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -13.127 11.136 -1.139 1.00 0.00 O ATOM 1127 OE2 GLU A 51 -11.140 12.050 -1.353 1.00 0.00 O1- ATOM 0 H GLU A 51 -10.526 7.436 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.633 9.432 1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.480 8.899 0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.775 10.427 1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.157 9.879 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.570 8.979 -1.204 1.00 0.00 H new ATOM 1134 N ASP A 52 -10.948 9.069 3.963 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.418 8.691 5.290 1.00 0.00 C ATOM 1136 C ASP A 52 -12.935 8.534 5.306 1.00 0.00 C ATOM 1137 O ASP A 52 -13.644 9.299 5.962 1.00 0.00 O ATOM 1138 CB ASP A 52 -10.988 9.734 6.323 1.00 0.00 C ATOM 1139 CG ASP A 52 -11.344 11.146 5.902 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -10.925 11.560 4.800 1.00 0.00 O1- ATOM 1141 OD2 ASP A 52 -12.041 11.838 6.673 1.00 0.00 O ATOM 0 H ASP A 52 -10.604 10.027 3.895 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.970 7.731 5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.463 9.512 7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.911 9.665 6.479 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.429 7.538 4.578 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.859 7.299 4.521 1.00 0.00 C ATOM 1148 C GLY A 53 -15.231 6.250 3.491 1.00 0.00 C ATOM 1149 O GLY A 53 -16.231 6.389 2.787 1.00 0.00 O ATOM 0 H GLY A 53 -12.864 6.892 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.210 6.981 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.371 8.232 4.286 1.00 0.00 H new ATOM 1153 N ARG A 54 -14.423 5.198 3.403 1.00 0.00 N ATOM 1154 CA ARG A 54 -14.672 4.121 2.452 1.00 0.00 C ATOM 1155 C ARG A 54 -14.182 2.786 3.002 1.00 0.00 C ATOM 1156 O ARG A 54 -13.410 2.744 3.961 1.00 0.00 O ATOM 1157 CB ARG A 54 -13.983 4.420 1.119 1.00 0.00 C ATOM 1158 CG ARG A 54 -14.854 5.195 0.143 1.00 0.00 C ATOM 1159 CD ARG A 54 -15.678 4.262 -0.730 1.00 0.00 C ATOM 1160 NE ARG A 54 -16.844 4.933 -1.300 1.00 0.00 N ATOM 1161 CZ ARG A 54 -17.970 5.162 -0.626 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -18.084 4.777 0.639 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -18.983 5.778 -1.220 1.00 0.00 N ATOM 0 H ARG A 54 -13.591 5.069 3.978 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.748 4.054 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.072 4.988 1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.682 3.480 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.518 5.860 0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.225 5.824 -0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.054 3.873 -1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.005 3.407 -0.139 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.793 5.244 -2.270 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.307 4.303 1.100 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.948 4.955 1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.900 6.076 -2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -19.846 5.954 -0.705 1.00 0.00 H new ATOM 1177 N THR A 55 -14.636 1.697 2.391 1.00 0.00 N ATOM 1178 CA THR A 55 -14.244 0.360 2.821 1.00 0.00 C ATOM 1179 C THR A 55 -13.185 -0.223 1.891 1.00 0.00 C ATOM 1180 O THR A 55 -13.179 0.051 0.691 1.00 0.00 O ATOM 1181 CB THR A 55 -15.463 -0.562 2.866 1.00 0.00 C ATOM 1182 OG1 THR A 55 -16.250 -0.409 1.698 1.00 0.00 O ATOM 1183 CG2 THR A 55 -16.359 -0.311 4.059 1.00 0.00 C ATOM 0 H THR A 55 -15.276 1.714 1.597 1.00 0.00 H new ATOM 0 HA THR A 55 -13.819 0.438 3.822 1.00 0.00 H new ATOM 0 HB THR A 55 -15.059 -1.572 2.941 1.00 0.00 H new ATOM 0 HG1 THR A 55 -17.024 -1.008 1.744 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.204 -0.998 4.030 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.794 -0.469 4.978 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.725 0.715 4.030 1.00 0.00 H new ATOM 1191 N LEU A 56 -12.291 -1.030 2.453 1.00 0.00 N ATOM 1192 CA LEU A 56 -11.227 -1.654 1.675 1.00 0.00 C ATOM 1193 C LEU A 56 -11.797 -2.517 0.557 1.00 0.00 C ATOM 1194 O LEU A 56 -11.225 -2.600 -0.530 1.00 0.00 O ATOM 1195 CB LEU A 56 -10.334 -2.495 2.578 1.00 0.00 C ATOM 1196 CG LEU A 56 -9.847 -1.804 3.853 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.446 -2.251 4.179 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.841 -0.303 3.699 1.00 0.00 C ATOM 0 H LEU A 56 -12.282 -1.267 3.445 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.632 -0.860 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.878 -3.396 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.464 -2.814 2.004 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.533 -2.078 4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.108 -1.754 5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.434 -3.330 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.781 -1.993 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.490 0.156 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.178 -0.024 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.851 0.045 3.482 1.00 0.00 H new ATOM 1210 N SER A 57 -12.928 -3.160 0.830 1.00 0.00 N ATOM 1211 CA SER A 57 -13.578 -4.019 -0.154 1.00 0.00 C ATOM 1212 C SER A 57 -13.882 -3.248 -1.436 1.00 0.00 C ATOM 1213 O SER A 57 -13.912 -3.822 -2.524 1.00 0.00 O ATOM 1214 CB SER A 57 -14.870 -4.602 0.422 1.00 0.00 C ATOM 1215 OG SER A 57 -15.480 -5.494 -0.494 1.00 0.00 O ATOM 0 H SER A 57 -13.414 -3.102 1.725 1.00 0.00 H new ATOM 0 HA SER A 57 -12.895 -4.833 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.653 -5.125 1.354 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.561 -3.794 0.663 1.00 0.00 H new ATOM 0 HG SER A 57 -16.303 -5.854 -0.102 1.00 0.00 H new ATOM 1221 N ASP A 58 -14.103 -1.944 -1.299 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.400 -1.095 -2.446 1.00 0.00 C ATOM 1223 C ASP A 58 -13.140 -0.826 -3.263 1.00 0.00 C ATOM 1224 O ASP A 58 -13.192 -0.732 -4.490 1.00 0.00 O ATOM 1225 CB ASP A 58 -15.014 0.227 -1.982 1.00 0.00 C ATOM 1226 CG ASP A 58 -16.093 0.725 -2.925 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -17.262 0.322 -2.754 1.00 0.00 O ATOM 1228 OD2 ASP A 58 -15.768 1.519 -3.833 1.00 0.00 O1- ATOM 0 H ASP A 58 -14.082 -1.453 -0.405 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.117 -1.618 -3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.437 0.098 -0.986 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.230 0.980 -1.901 1.00 0.00 H new ATOM 1233 N TYR A 59 -12.010 -0.704 -2.574 1.00 0.00 N ATOM 1234 CA TYR A 59 -10.735 -0.448 -3.235 1.00 0.00 C ATOM 1235 C TYR A 59 -10.041 -1.752 -3.629 1.00 0.00 C ATOM 1236 O TYR A 59 -9.045 -1.738 -4.351 1.00 0.00 O ATOM 1237 CB TYR A 59 -9.821 0.371 -2.322 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.362 1.746 -1.998 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.802 2.595 -3.006 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.432 2.195 -0.686 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -11.295 3.852 -2.715 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -10.926 3.450 -0.387 1.00 0.00 C ATOM 1243 CZ TYR A 59 -11.356 4.275 -1.405 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.847 5.526 -1.110 1.00 0.00 O ATOM 0 H TYR A 59 -11.951 -0.778 -1.558 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.939 0.118 -4.144 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.665 -0.177 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.846 0.476 -2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.758 2.267 -4.034 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.095 1.553 0.114 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.631 4.500 -3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.975 3.783 0.639 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.401 6.193 -1.672 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.572 -2.878 -3.154 1.00 0.00 N ATOM 1255 CA ASN A 60 -9.997 -4.182 -3.461 1.00 0.00 C ATOM 1256 C ASN A 60 -8.587 -4.302 -2.892 1.00 0.00 C ATOM 1257 O ASN A 60 -7.614 -4.437 -3.636 1.00 0.00 O ATOM 1258 CB ASN A 60 -9.976 -4.413 -4.973 1.00 0.00 C ATOM 1259 CG ASN A 60 -11.203 -5.158 -5.462 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -12.090 -4.575 -6.086 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -11.260 -6.454 -5.180 1.00 0.00 N ATOM 0 H ASN A 60 -11.398 -2.911 -2.556 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.621 -4.945 -2.996 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.910 -3.452 -5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.082 -4.977 -5.239 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.062 -7.007 -5.483 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.502 -6.897 -4.660 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.483 -4.253 -1.568 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.192 -4.356 -0.898 1.00 0.00 C ATOM 1270 C ILE A 61 -7.027 -5.718 -0.233 1.00 0.00 C ATOM 1271 O ILE A 61 -7.551 -5.956 0.856 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.022 -3.253 0.164 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.364 -1.885 -0.429 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -5.602 -3.260 0.712 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.559 -0.805 0.612 1.00 0.00 C ATOM 0 H ILE A 61 -9.277 -4.143 -0.938 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.426 -4.233 -1.663 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.709 -3.452 0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.567 -1.583 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.273 -1.973 -1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.497 -2.475 1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.393 -4.228 1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.898 -3.082 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.799 0.137 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.376 -1.084 1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.643 -0.688 1.191 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.296 -6.608 -0.895 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.062 -7.948 -0.368 1.00 0.00 C ATOM 1289 C GLN A 62 -5.009 -7.922 0.736 1.00 0.00 C ATOM 1290 O GLN A 62 -4.621 -6.855 1.211 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.617 -8.889 -1.490 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.454 -8.768 -2.753 1.00 0.00 C ATOM 1293 CD GLN A 62 -6.615 -10.092 -3.474 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -5.979 -11.086 -3.122 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -7.471 -10.113 -4.489 1.00 0.00 N ATOM 0 H GLN A 62 -5.855 -6.426 -1.797 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.998 -8.314 0.055 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.575 -8.683 -1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.663 -9.917 -1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.438 -8.376 -2.496 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.989 -8.047 -3.425 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.977 -9.266 -4.747 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.622 -10.976 -5.011 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.553 -9.103 1.140 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.546 -9.215 2.189 1.00 0.00 C ATOM 1306 C LYS A 63 -2.173 -8.798 1.672 1.00 0.00 C ATOM 1307 O LYS A 63 -1.824 -9.064 0.521 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.491 -10.647 2.724 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.015 -11.664 1.699 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.155 -12.539 1.207 1.00 0.00 C ATOM 1311 CE LYS A 63 -4.800 -13.311 2.346 1.00 0.00 C ATOM 1312 NZ LYS A 63 -5.492 -14.538 1.866 1.00 0.00 N1+ ATOM 0 H LYS A 63 -4.865 -9.996 0.757 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.827 -8.544 3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.827 -10.677 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.483 -10.933 3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.563 -11.145 0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.239 -12.290 2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.905 -11.918 0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.781 -13.238 0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.038 -13.586 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.515 -12.669 2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.918 -15.035 2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.237 -14.274 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.805 -15.163 1.398 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.397 -8.142 2.528 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.061 -7.687 2.161 1.00 0.00 C ATOM 1328 C GLU A 64 -0.113 -6.770 0.942 1.00 0.00 C ATOM 1329 O GLU A 64 0.846 -6.690 0.173 1.00 0.00 O ATOM 1330 CB GLU A 64 0.849 -8.882 1.876 1.00 0.00 C ATOM 1331 CG GLU A 64 1.207 -9.684 3.117 1.00 0.00 C ATOM 1332 CD GLU A 64 2.183 -10.806 2.825 1.00 0.00 C ATOM 1333 OE1 GLU A 64 3.333 -10.506 2.440 1.00 0.00 O1- ATOM 1334 OE2 GLU A 64 1.799 -11.984 2.981 1.00 0.00 O ATOM 0 H GLU A 64 -1.671 -7.913 3.483 1.00 0.00 H new ATOM 0 HA GLU A 64 0.345 -7.123 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.358 -9.539 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.766 -8.526 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.638 -9.017 3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.298 -10.102 3.550 1.00 0.00 H new ATOM 1341 N SER A 65 -1.236 -6.079 0.772 1.00 0.00 N ATOM 1342 CA SER A 65 -1.409 -5.168 -0.354 1.00 0.00 C ATOM 1343 C SER A 65 -0.510 -3.946 -0.203 1.00 0.00 C ATOM 1344 O SER A 65 -0.433 -3.347 0.870 1.00 0.00 O ATOM 1345 CB SER A 65 -2.871 -4.731 -0.462 1.00 0.00 C ATOM 1346 OG SER A 65 -3.664 -5.742 -1.057 1.00 0.00 O ATOM 0 H SER A 65 -2.039 -6.132 1.399 1.00 0.00 H new ATOM 0 HA SER A 65 -1.127 -5.695 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.258 -4.498 0.530 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.938 -3.818 -1.053 1.00 0.00 H new ATOM 0 HG SER A 65 -3.812 -5.528 -2.002 1.00 0.00 H new ATOM 1352 N THR A 66 0.173 -3.583 -1.284 1.00 0.00 N ATOM 1353 CA THR A 66 1.068 -2.432 -1.269 1.00 0.00 C ATOM 1354 C THR A 66 0.290 -1.132 -1.451 1.00 0.00 C ATOM 1355 O THR A 66 -0.106 -0.785 -2.563 1.00 0.00 O ATOM 1356 CB THR A 66 2.132 -2.567 -2.362 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.843 -3.662 -3.215 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.527 -2.769 -1.812 1.00 0.00 C ATOM 0 H THR A 66 0.124 -4.068 -2.180 1.00 0.00 H new ATOM 0 HA THR A 66 1.562 -2.403 -0.298 1.00 0.00 H new ATOM 0 HB THR A 66 2.105 -1.625 -2.910 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.534 -3.729 -3.907 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.234 -2.857 -2.637 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.800 -1.916 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.553 -3.679 -1.212 1.00 0.00 H new ATOM 1366 N LEU A 67 0.078 -0.418 -0.350 1.00 0.00 N ATOM 1367 CA LEU A 67 -0.650 0.846 -0.390 1.00 0.00 C ATOM 1368 C LEU A 67 0.316 2.021 -0.506 1.00 0.00 C ATOM 1369 O LEU A 67 1.230 2.170 0.306 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.523 0.995 0.861 1.00 0.00 C ATOM 1371 CG LEU A 67 -2.707 0.031 0.948 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -3.648 0.442 2.070 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.452 -0.031 -0.379 1.00 0.00 C ATOM 0 H LEU A 67 0.399 -0.692 0.579 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.294 0.845 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.895 0.855 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.903 2.016 0.900 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.321 -0.964 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.485 -0.255 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.111 0.429 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.024 1.447 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.290 -0.723 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.825 0.961 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.775 -0.376 -1.161 1.00 0.00 H new ATOM 1385 N HIS A 68 0.116 2.850 -1.528 1.00 0.00 N ATOM 1386 CA HIS A 68 0.977 4.005 -1.760 1.00 0.00 C ATOM 1387 C HIS A 68 0.653 5.146 -0.800 1.00 0.00 C ATOM 1388 O HIS A 68 -0.376 5.810 -0.933 1.00 0.00 O ATOM 1389 CB HIS A 68 0.836 4.487 -3.204 1.00 0.00 C ATOM 1390 CG HIS A 68 0.906 3.383 -4.213 1.00 0.00 C ATOM 1391 ND1 HIS A 68 0.274 3.440 -5.437 1.00 0.00 N ATOM 1392 CD2 HIS A 68 1.541 2.187 -4.175 1.00 0.00 C ATOM 1393 CE1 HIS A 68 0.516 2.328 -6.108 1.00 0.00 C ATOM 1394 NE2 HIS A 68 1.281 1.551 -5.364 1.00 0.00 N ATOM 0 H HIS A 68 -0.636 2.742 -2.209 1.00 0.00 H new ATOM 0 HA HIS A 68 2.006 3.693 -1.580 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.115 5.008 -3.313 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.623 5.211 -3.415 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.140 1.805 -3.362 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.150 2.094 -7.097 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.624 0.628 -5.629 1.00 0.00 H new ATOM 1403 N LEU A 69 1.541 5.373 0.162 1.00 0.00 N ATOM 1404 CA LEU A 69 1.358 6.439 1.141 1.00 0.00 C ATOM 1405 C LEU A 69 1.910 7.759 0.615 1.00 0.00 C ATOM 1406 O LEU A 69 2.890 7.780 -0.130 1.00 0.00 O ATOM 1407 CB LEU A 69 2.047 6.075 2.459 1.00 0.00 C ATOM 1408 CG LEU A 69 1.489 6.774 3.697 1.00 0.00 C ATOM 1409 CD1 LEU A 69 1.541 5.853 4.908 1.00 0.00 C ATOM 1410 CD2 LEU A 69 2.265 8.046 3.961 1.00 0.00 C ATOM 0 H LEU A 69 2.397 4.832 0.285 1.00 0.00 H new ATOM 0 HA LEU A 69 0.289 6.556 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.972 4.997 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.108 6.312 2.374 1.00 0.00 H new ATOM 0 HG LEU A 69 0.445 7.028 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.138 6.372 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.947 4.960 4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.574 5.566 5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.863 8.541 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.315 7.804 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.177 8.711 3.102 1.00 0.00 H new ATOM 1422 N VAL A 70 1.277 8.860 1.007 1.00 0.00 N ATOM 1423 CA VAL A 70 1.707 10.184 0.576 1.00 0.00 C ATOM 1424 C VAL A 70 1.825 11.132 1.764 1.00 0.00 C ATOM 1425 O VAL A 70 0.841 11.740 2.184 1.00 0.00 O ATOM 1426 CB VAL A 70 0.731 10.786 -0.452 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.282 12.086 -1.018 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.447 9.788 -1.565 1.00 0.00 C ATOM 0 H VAL A 70 0.464 8.861 1.623 1.00 0.00 H new ATOM 0 HA VAL A 70 2.684 10.064 0.108 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.208 11.009 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.578 12.495 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.428 12.802 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.236 11.894 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.244 10.230 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.378 9.531 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.003 8.887 -1.141 1.00 0.00 H new ATOM 1438 N LEU A 71 3.034 11.250 2.303 1.00 0.00 N ATOM 1439 CA LEU A 71 3.279 12.122 3.446 1.00 0.00 C ATOM 1440 C LEU A 71 3.270 13.589 3.025 1.00 0.00 C ATOM 1441 O LEU A 71 4.046 14.002 2.163 1.00 0.00 O ATOM 1442 CB LEU A 71 4.619 11.776 4.102 1.00 0.00 C ATOM 1443 CG LEU A 71 4.887 10.281 4.288 1.00 0.00 C ATOM 1444 CD1 LEU A 71 6.377 10.021 4.446 1.00 0.00 C ATOM 1445 CD2 LEU A 71 4.122 9.749 5.492 1.00 0.00 C ATOM 0 H LEU A 71 3.859 10.753 1.967 1.00 0.00 H new ATOM 0 HA LEU A 71 2.477 11.965 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.421 12.200 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.664 12.261 5.077 1.00 0.00 H new ATOM 0 HG LEU A 71 4.539 9.756 3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.548 8.953 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.903 10.366 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.750 10.558 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.324 8.684 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.440 10.280 6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.053 9.901 5.340 1.00 0.00 H new ATOM 1457 N ARG A 72 2.389 14.372 3.642 1.00 0.00 N ATOM 1458 CA ARG A 72 2.279 15.797 3.332 1.00 0.00 C ATOM 1459 C ARG A 72 3.643 16.479 3.390 1.00 0.00 C ATOM 1460 O ARG A 72 4.291 16.504 4.437 1.00 0.00 O ATOM 1461 CB ARG A 72 1.316 16.481 4.305 1.00 0.00 C ATOM 1462 CG ARG A 72 1.620 16.192 5.766 1.00 0.00 C ATOM 1463 CD ARG A 72 2.492 17.277 6.380 1.00 0.00 C ATOM 1464 NE ARG A 72 1.992 17.709 7.682 1.00 0.00 N ATOM 1465 CZ ARG A 72 0.828 18.329 7.862 1.00 0.00 C ATOM 1466 NH1 ARG A 72 0.041 18.590 6.825 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 0.449 18.688 9.080 1.00 0.00 N ATOM 0 H ARG A 72 1.741 14.046 4.359 1.00 0.00 H new ATOM 0 HA ARG A 72 1.890 15.889 2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.351 17.558 4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.299 16.158 4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.687 16.114 6.324 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.123 15.229 5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.511 16.905 6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.535 18.133 5.706 1.00 0.00 H new ATOM 0 HE ARG A 72 2.569 17.525 8.503 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.327 18.315 5.885 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.850 19.065 6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.049 18.489 9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.443 19.163 9.217 1.00 0.00 H new