USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=13 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= -3.56 K(o=-3.6,f=-6.9!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 116:sc= -0.327 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 2 GLN :FLIP amide:sc= -0.86 F(o=-1.5,f=-0.86) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 14 THR OG1 : rot -53:sc= 1 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0726 USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= -3.27! (180deg=-4.4!) USER MOD Single : A 31 GLN : amide:sc= -1.08 K(o=-1.1,f=-7.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.54) USER MOD Single : A 41 GLN : amide:sc= -10.6! C(o=-11!,f=-19!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.478 K(o=-0.48,f=-5.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= -0.419 USER MOD Single : A 60 ASN : amide:sc= -0.049 K(o=-0.049,f=-0.94) USER MOD Single : A 62 GLN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -160:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.077 USER MOD Single : A 68 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 326 N GLN A 2 -3.433 -8.429 7.130 1.00 0.00 N ATOM 327 CA GLN A 2 -2.216 -7.642 7.298 1.00 0.00 C ATOM 328 C GLN A 2 -1.724 -7.112 5.956 1.00 0.00 C ATOM 329 O GLN A 2 -1.073 -7.828 5.195 1.00 0.00 O ATOM 330 CB GLN A 2 -1.124 -8.485 7.957 1.00 0.00 C ATOM 331 CG GLN A 2 -0.998 -9.882 7.373 1.00 0.00 C ATOM 332 CD GLN A 2 -1.811 -10.909 8.136 1.00 0.00 C ATOM 333 OE1 GLN A 2 -1.127 -11.866 8.754 1.00 0.00 O flip ATOM 334 NE2 GLN A 2 -3.039 -10.844 8.171 1.00 0.00 N flip ATOM 0 HA GLN A 2 -2.448 -6.794 7.942 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.169 -7.970 7.855 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.332 -8.564 9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.323 -9.867 6.333 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.051 -10.180 7.376 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -3.524 -10.092 7.682 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -3.572 -11.542 8.689 1.00 0.00 H new ATOM 343 N ILE A 3 -2.034 -5.850 5.673 1.00 0.00 N ATOM 344 CA ILE A 3 -1.619 -5.224 4.423 1.00 0.00 C ATOM 345 C ILE A 3 -0.350 -4.406 4.622 1.00 0.00 C ATOM 346 O ILE A 3 -0.047 -3.977 5.735 1.00 0.00 O ATOM 347 CB ILE A 3 -2.723 -4.312 3.855 1.00 0.00 C ATOM 348 CG1 ILE A 3 -3.087 -3.223 4.866 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.951 -5.132 3.488 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.776 -2.032 4.249 1.00 0.00 C ATOM 0 H ILE A 3 -2.570 -5.242 6.292 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.426 -6.028 3.712 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.347 -3.832 2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.735 -3.651 5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.180 -2.887 5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.722 -4.473 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.682 -5.874 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.330 -5.637 4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.004 -1.301 5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.122 -1.579 3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.701 -2.354 3.771 1.00 0.00 H new ATOM 362 N PHE A 4 0.395 -4.194 3.541 1.00 0.00 N ATOM 363 CA PHE A 4 1.633 -3.429 3.614 1.00 0.00 C ATOM 364 C PHE A 4 1.462 -2.042 3.005 1.00 0.00 C ATOM 365 O PHE A 4 1.338 -1.895 1.790 1.00 0.00 O ATOM 366 CB PHE A 4 2.770 -4.183 2.917 1.00 0.00 C ATOM 367 CG PHE A 4 3.793 -4.710 3.880 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.432 -3.853 4.756 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.099 -6.060 3.926 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.359 -4.324 5.664 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.030 -6.542 4.828 1.00 0.00 C ATOM 372 CZ PHE A 4 5.661 -5.672 5.699 1.00 0.00 C ATOM 0 H PHE A 4 0.164 -4.539 2.610 1.00 0.00 H new ATOM 0 HA PHE A 4 1.889 -3.304 4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.353 -5.013 2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.257 -3.518 2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.202 -2.798 4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.606 -6.743 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.846 -3.642 6.344 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.264 -7.596 4.852 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.388 -6.046 6.405 1.00 0.00 H new ATOM 382 N VAL A 5 1.462 -1.025 3.862 1.00 0.00 N ATOM 383 CA VAL A 5 1.312 0.352 3.412 1.00 0.00 C ATOM 384 C VAL A 5 2.654 0.924 2.968 1.00 0.00 C ATOM 385 O VAL A 5 3.513 1.232 3.795 1.00 0.00 O ATOM 386 CB VAL A 5 0.723 1.246 4.520 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.453 2.648 3.991 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.547 0.629 5.086 1.00 0.00 C ATOM 0 H VAL A 5 1.564 -1.130 4.871 1.00 0.00 H new ATOM 0 HA VAL A 5 0.623 0.341 2.567 1.00 0.00 H new ATOM 0 HB VAL A 5 1.454 1.321 5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.037 3.264 4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.385 3.090 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.257 2.595 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.948 1.275 5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.284 0.520 4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.320 -0.351 5.506 1.00 0.00 H new ATOM 398 N LYS A 6 2.826 1.061 1.656 1.00 0.00 N ATOM 399 CA LYS A 6 4.063 1.592 1.096 1.00 0.00 C ATOM 400 C LYS A 6 3.976 3.105 0.918 1.00 0.00 C ATOM 401 O LYS A 6 2.947 3.631 0.494 1.00 0.00 O ATOM 402 CB LYS A 6 4.364 0.927 -0.249 1.00 0.00 C ATOM 403 CG LYS A 6 5.848 0.842 -0.566 1.00 0.00 C ATOM 404 CD LYS A 6 6.112 1.024 -2.052 1.00 0.00 C ATOM 405 CE LYS A 6 7.506 0.553 -2.433 1.00 0.00 C ATOM 406 NZ LYS A 6 8.061 1.328 -3.576 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.123 0.811 0.961 1.00 0.00 H new ATOM 0 HA LYS A 6 4.871 1.372 1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.942 -0.078 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.863 1.484 -1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.385 1.606 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.235 -0.124 -0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.370 0.468 -2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.997 2.075 -2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.169 0.649 -1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.473 -0.505 -2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.013 0.976 -3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.442 1.216 -4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.117 2.334 -3.319 1.00 0.00 H new ATOM 420 N THR A 7 5.062 3.798 1.241 1.00 0.00 N ATOM 421 CA THR A 7 5.108 5.250 1.114 1.00 0.00 C ATOM 422 C THR A 7 5.897 5.663 -0.125 1.00 0.00 C ATOM 423 O THR A 7 6.535 4.832 -0.772 1.00 0.00 O ATOM 424 CB THR A 7 5.736 5.873 2.362 1.00 0.00 C ATOM 425 OG1 THR A 7 7.126 5.607 2.410 1.00 0.00 O ATOM 426 CG2 THR A 7 5.126 5.370 3.653 1.00 0.00 C ATOM 0 H THR A 7 5.922 3.378 1.593 1.00 0.00 H new ATOM 0 HA THR A 7 4.085 5.613 1.010 1.00 0.00 H new ATOM 0 HB THR A 7 5.542 6.942 2.280 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.623 6.450 2.350 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.617 5.851 4.499 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.062 5.605 3.669 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.260 4.290 3.722 1.00 0.00 H new ATOM 434 N LEU A 8 5.848 6.950 -0.451 1.00 0.00 N ATOM 435 CA LEU A 8 6.558 7.472 -1.613 1.00 0.00 C ATOM 436 C LEU A 8 8.058 7.222 -1.492 1.00 0.00 C ATOM 437 O LEU A 8 8.694 6.737 -2.429 1.00 0.00 O ATOM 438 CB LEU A 8 6.288 8.969 -1.772 1.00 0.00 C ATOM 439 CG LEU A 8 5.088 9.319 -2.653 1.00 0.00 C ATOM 440 CD1 LEU A 8 4.271 10.441 -2.040 1.00 0.00 C ATOM 441 CD2 LEU A 8 5.546 9.726 -4.038 1.00 0.00 C ATOM 0 H LEU A 8 5.324 7.651 0.073 1.00 0.00 H new ATOM 0 HA LEU A 8 6.192 6.949 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.133 9.402 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.177 9.441 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 8 4.462 8.430 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.424 10.670 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.906 10.132 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.895 11.328 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.678 9.971 -4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.197 10.597 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.093 8.902 -4.497 1.00 0.00 H new ATOM 453 N THR A 9 8.617 7.556 -0.333 1.00 0.00 N ATOM 454 CA THR A 9 10.042 7.367 -0.090 1.00 0.00 C ATOM 455 C THR A 9 10.430 5.899 -0.237 1.00 0.00 C ATOM 456 O THR A 9 11.555 5.580 -0.622 1.00 0.00 O ATOM 457 CB THR A 9 10.413 7.867 1.307 1.00 0.00 C ATOM 458 OG1 THR A 9 9.729 7.126 2.303 1.00 0.00 O ATOM 459 CG2 THR A 9 10.092 9.331 1.524 1.00 0.00 C ATOM 0 H THR A 9 8.105 7.959 0.452 1.00 0.00 H new ATOM 0 HA THR A 9 10.591 7.945 -0.833 1.00 0.00 H new ATOM 0 HB THR A 9 11.492 7.732 1.385 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.981 7.460 3.189 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.380 9.621 2.535 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.642 9.935 0.803 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.022 9.492 1.391 1.00 0.00 H new ATOM 467 N GLY A 10 9.491 5.011 0.071 1.00 0.00 N ATOM 468 CA GLY A 10 9.753 3.587 -0.033 1.00 0.00 C ATOM 469 C GLY A 10 9.655 2.880 1.304 1.00 0.00 C ATOM 470 O GLY A 10 10.488 2.034 1.629 1.00 0.00 O ATOM 0 H GLY A 10 8.553 5.252 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.044 3.140 -0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.748 3.433 -0.450 1.00 0.00 H new ATOM 474 N LYS A 11 8.634 3.226 2.082 1.00 0.00 N ATOM 475 CA LYS A 11 8.430 2.618 3.391 1.00 0.00 C ATOM 476 C LYS A 11 7.160 1.773 3.409 1.00 0.00 C ATOM 477 O LYS A 11 6.049 2.303 3.403 1.00 0.00 O ATOM 478 CB LYS A 11 8.357 3.697 4.474 1.00 0.00 C ATOM 479 CG LYS A 11 8.111 3.147 5.872 1.00 0.00 C ATOM 480 CD LYS A 11 9.395 3.033 6.664 1.00 0.00 C ATOM 481 CE LYS A 11 9.620 1.618 7.173 1.00 0.00 C ATOM 482 NZ LYS A 11 10.953 1.464 7.818 1.00 0.00 N1+ ATOM 0 H LYS A 11 7.935 3.924 1.828 1.00 0.00 H new ATOM 0 HA LYS A 11 9.279 1.966 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.289 4.262 4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.560 4.397 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.414 3.797 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.640 2.167 5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.236 3.332 6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.364 3.722 7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.839 1.361 7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.535 0.916 6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.067 0.485 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.700 1.684 7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.025 2.115 8.626 1.00 0.00 H new ATOM 496 N THR A 12 7.336 0.457 3.439 1.00 0.00 N ATOM 497 CA THR A 12 6.210 -0.469 3.467 1.00 0.00 C ATOM 498 C THR A 12 6.081 -1.109 4.845 1.00 0.00 C ATOM 499 O THR A 12 6.941 -1.886 5.258 1.00 0.00 O ATOM 500 CB THR A 12 6.386 -1.552 2.401 1.00 0.00 C ATOM 501 OG1 THR A 12 7.316 -1.140 1.414 1.00 0.00 O ATOM 502 CG2 THR A 12 5.097 -1.912 1.694 1.00 0.00 C ATOM 0 H THR A 12 8.251 0.006 3.445 1.00 0.00 H new ATOM 0 HA THR A 12 5.299 0.090 3.254 1.00 0.00 H new ATOM 0 HB THR A 12 6.744 -2.430 2.939 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.415 -1.847 0.743 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.293 -2.685 0.951 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.374 -2.282 2.421 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.694 -1.028 1.200 1.00 0.00 H new ATOM 510 N ILE A 13 5.010 -0.773 5.560 1.00 0.00 N ATOM 511 CA ILE A 13 4.795 -1.319 6.896 1.00 0.00 C ATOM 512 C ILE A 13 3.579 -2.238 6.953 1.00 0.00 C ATOM 513 O ILE A 13 2.553 -1.972 6.328 1.00 0.00 O ATOM 514 CB ILE A 13 4.614 -0.206 7.943 1.00 0.00 C ATOM 515 CG1 ILE A 13 5.889 0.601 8.093 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.234 -0.807 9.274 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.060 -0.232 8.521 1.00 0.00 C ATOM 0 H ILE A 13 4.284 -0.132 5.240 1.00 0.00 H new ATOM 0 HA ILE A 13 5.690 -1.896 7.127 1.00 0.00 H new ATOM 0 HB ILE A 13 3.818 0.458 7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.121 1.084 7.144 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.727 1.394 8.823 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.108 -0.012 10.009 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.299 -1.358 9.171 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.020 -1.486 9.605 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.943 0.401 8.611 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.845 -0.694 9.484 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.245 -1.009 7.779 1.00 0.00 H new ATOM 529 N THR A 14 3.706 -3.317 7.723 1.00 0.00 N ATOM 530 CA THR A 14 2.619 -4.273 7.883 1.00 0.00 C ATOM 531 C THR A 14 1.580 -3.725 8.851 1.00 0.00 C ATOM 532 O THR A 14 1.839 -3.595 10.048 1.00 0.00 O ATOM 533 CB THR A 14 3.152 -5.614 8.391 1.00 0.00 C ATOM 534 OG1 THR A 14 4.548 -5.715 8.181 1.00 0.00 O ATOM 535 CG2 THR A 14 2.499 -6.807 7.724 1.00 0.00 C ATOM 0 H THR A 14 4.551 -3.549 8.244 1.00 0.00 H new ATOM 0 HA THR A 14 2.152 -4.431 6.911 1.00 0.00 H new ATOM 0 HB THR A 14 2.913 -5.634 9.454 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.751 -5.537 7.239 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.921 -7.727 8.129 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.426 -6.787 7.913 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.679 -6.767 6.650 1.00 0.00 H new ATOM 543 N LEU A 15 0.412 -3.393 8.325 1.00 0.00 N ATOM 544 CA LEU A 15 -0.663 -2.845 9.137 1.00 0.00 C ATOM 545 C LEU A 15 -1.915 -3.712 9.034 1.00 0.00 C ATOM 546 O LEU A 15 -2.419 -3.969 7.938 1.00 0.00 O ATOM 547 CB LEU A 15 -0.955 -1.411 8.695 1.00 0.00 C ATOM 548 CG LEU A 15 -1.647 -0.530 9.734 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.936 -1.177 10.211 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.718 -0.259 10.908 1.00 0.00 C ATOM 0 H LEU A 15 0.184 -3.494 7.336 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.352 -2.837 10.182 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.015 -0.938 8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.577 -1.445 7.801 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.895 0.422 9.265 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.414 -0.534 10.950 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.608 -1.317 9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.713 -2.144 10.661 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.228 0.370 11.638 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.437 -1.203 11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.178 0.250 10.553 1.00 0.00 H new ATOM 562 N GLU A 16 -2.403 -4.171 10.183 1.00 0.00 N ATOM 563 CA GLU A 16 -3.587 -5.022 10.230 1.00 0.00 C ATOM 564 C GLU A 16 -4.868 -4.198 10.142 1.00 0.00 C ATOM 565 O GLU A 16 -5.174 -3.409 11.036 1.00 0.00 O ATOM 566 CB GLU A 16 -3.591 -5.847 11.519 1.00 0.00 C ATOM 567 CG GLU A 16 -4.140 -7.247 11.343 1.00 0.00 C ATOM 568 CD GLU A 16 -3.143 -8.189 10.696 1.00 0.00 C ATOM 569 OE1 GLU A 16 -1.970 -8.197 11.125 1.00 0.00 O ATOM 570 OE2 GLU A 16 -3.536 -8.919 9.763 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.995 -3.967 11.096 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.552 -5.690 9.370 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.573 -5.911 11.902 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.183 -5.326 12.272 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.430 -7.644 12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.043 -7.205 10.733 1.00 0.00 H new ATOM 577 N VAL A 17 -5.615 -4.396 9.061 1.00 0.00 N ATOM 578 CA VAL A 17 -6.869 -3.683 8.852 1.00 0.00 C ATOM 579 C VAL A 17 -7.899 -4.582 8.177 1.00 0.00 C ATOM 580 O VAL A 17 -7.686 -5.057 7.061 1.00 0.00 O ATOM 581 CB VAL A 17 -6.669 -2.421 7.990 1.00 0.00 C ATOM 582 CG1 VAL A 17 -5.946 -1.337 8.776 1.00 0.00 C ATOM 583 CG2 VAL A 17 -5.911 -2.760 6.717 1.00 0.00 C ATOM 0 H VAL A 17 -5.372 -5.047 8.314 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.230 -3.385 9.836 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.651 -2.038 7.713 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.816 -0.456 8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.534 -1.072 9.655 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.969 -1.705 9.090 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.779 -1.857 6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.935 -3.171 6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.475 -3.495 6.143 1.00 0.00 H new ATOM 593 N GLU A 18 -9.015 -4.814 8.860 1.00 0.00 N ATOM 594 CA GLU A 18 -10.077 -5.659 8.324 1.00 0.00 C ATOM 595 C GLU A 18 -10.584 -5.121 6.988 1.00 0.00 C ATOM 596 O GLU A 18 -10.482 -3.925 6.713 1.00 0.00 O ATOM 597 CB GLU A 18 -11.234 -5.751 9.322 1.00 0.00 C ATOM 598 CG GLU A 18 -11.080 -6.880 10.328 1.00 0.00 C ATOM 599 CD GLU A 18 -12.385 -7.608 10.591 1.00 0.00 C ATOM 600 OE1 GLU A 18 -13.024 -8.052 9.614 1.00 0.00 O ATOM 601 OE2 GLU A 18 -12.766 -7.733 11.773 1.00 0.00 O1- ATOM 0 H GLU A 18 -9.208 -4.429 9.785 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.665 -6.655 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.316 -4.806 9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.166 -5.888 8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.339 -7.590 9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.698 -6.477 11.266 1.00 0.00 H new ATOM 608 N PRO A 19 -11.141 -6.001 6.138 1.00 0.00 N ATOM 609 CA PRO A 19 -11.666 -5.607 4.826 1.00 0.00 C ATOM 610 C PRO A 19 -12.752 -4.543 4.940 1.00 0.00 C ATOM 611 O PRO A 19 -12.908 -3.704 4.053 1.00 0.00 O ATOM 612 CB PRO A 19 -12.247 -6.907 4.253 1.00 0.00 C ATOM 613 CG PRO A 19 -12.391 -7.824 5.422 1.00 0.00 C ATOM 614 CD PRO A 19 -11.305 -7.440 6.385 1.00 0.00 C ATOM 0 HA PRO A 19 -10.892 -5.166 4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.209 -6.729 3.772 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.587 -7.333 3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.374 -7.720 5.881 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.291 -8.865 5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.590 -7.643 7.417 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.383 -7.990 6.195 1.00 0.00 H new ATOM 622 N SER A 20 -13.499 -4.583 6.038 1.00 0.00 N ATOM 623 CA SER A 20 -14.568 -3.621 6.271 1.00 0.00 C ATOM 624 C SER A 20 -14.087 -2.478 7.161 1.00 0.00 C ATOM 625 O SER A 20 -14.879 -1.845 7.857 1.00 0.00 O ATOM 626 CB SER A 20 -15.773 -4.311 6.914 1.00 0.00 C ATOM 627 OG SER A 20 -16.314 -5.300 6.055 1.00 0.00 O ATOM 0 H SER A 20 -13.383 -5.272 6.781 1.00 0.00 H new ATOM 0 HA SER A 20 -14.867 -3.207 5.308 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.473 -4.769 7.857 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.538 -3.570 7.148 1.00 0.00 H new ATOM 0 HG SER A 20 -17.081 -5.727 6.490 1.00 0.00 H new ATOM 633 N ASP A 21 -12.782 -2.220 7.130 1.00 0.00 N ATOM 634 CA ASP A 21 -12.195 -1.155 7.931 1.00 0.00 C ATOM 635 C ASP A 21 -12.014 0.111 7.100 1.00 0.00 C ATOM 636 O ASP A 21 -11.215 0.143 6.165 1.00 0.00 O ATOM 637 CB ASP A 21 -10.846 -1.602 8.500 1.00 0.00 C ATOM 638 CG ASP A 21 -10.500 -0.892 9.793 1.00 0.00 C ATOM 639 OD1 ASP A 21 -11.350 -0.878 10.709 1.00 0.00 O1- ATOM 640 OD2 ASP A 21 -9.379 -0.349 9.892 1.00 0.00 O ATOM 0 H ASP A 21 -12.113 -2.735 6.558 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.874 -0.935 8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.867 -2.678 8.674 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.064 -1.413 7.765 1.00 0.00 H new ATOM 645 N THR A 22 -12.764 1.152 7.447 1.00 0.00 N ATOM 646 CA THR A 22 -12.686 2.420 6.731 1.00 0.00 C ATOM 647 C THR A 22 -11.262 2.964 6.736 1.00 0.00 C ATOM 648 O THR A 22 -10.454 2.610 7.597 1.00 0.00 O ATOM 649 CB THR A 22 -13.637 3.442 7.357 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.814 3.182 8.738 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.007 3.456 6.713 1.00 0.00 C ATOM 0 H THR A 22 -13.432 1.143 8.218 1.00 0.00 H new ATOM 0 HA THR A 22 -12.982 2.242 5.697 1.00 0.00 H new ATOM 0 HB THR A 22 -13.167 4.412 7.195 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.424 3.847 9.121 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.632 4.202 7.204 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.910 3.703 5.656 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.467 2.473 6.815 1.00 0.00 H new ATOM 659 N ILE A 23 -10.957 3.824 5.769 1.00 0.00 N ATOM 660 CA ILE A 23 -9.629 4.415 5.660 1.00 0.00 C ATOM 661 C ILE A 23 -9.230 5.113 6.957 1.00 0.00 C ATOM 662 O ILE A 23 -8.072 5.059 7.371 1.00 0.00 O ATOM 663 CB ILE A 23 -9.559 5.422 4.495 1.00 0.00 C ATOM 664 CG1 ILE A 23 -9.938 4.735 3.182 1.00 0.00 C ATOM 665 CG2 ILE A 23 -8.167 6.038 4.395 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.035 3.573 2.825 1.00 0.00 C ATOM 0 H ILE A 23 -11.613 4.127 5.049 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.931 3.601 5.465 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.271 6.225 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.966 4.378 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.909 5.468 2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.141 6.745 3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.932 6.558 5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.432 5.251 4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.363 3.134 1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.009 3.927 2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.082 2.820 3.612 1.00 0.00 H new ATOM 678 N GLU A 24 -10.193 5.768 7.596 1.00 0.00 N ATOM 679 CA GLU A 24 -9.935 6.475 8.845 1.00 0.00 C ATOM 680 C GLU A 24 -9.418 5.518 9.915 1.00 0.00 C ATOM 681 O GLU A 24 -8.488 5.842 10.650 1.00 0.00 O ATOM 682 CB GLU A 24 -11.206 7.172 9.335 1.00 0.00 C ATOM 683 CG GLU A 24 -11.342 8.604 8.844 1.00 0.00 C ATOM 684 CD GLU A 24 -11.987 9.512 9.873 1.00 0.00 C ATOM 685 OE1 GLU A 24 -11.268 9.998 10.771 1.00 0.00 O1- ATOM 686 OE2 GLU A 24 -13.213 9.737 9.780 1.00 0.00 O ATOM 0 H GLU A 24 -11.158 5.824 7.270 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.169 7.227 8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.074 6.600 9.006 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.216 7.168 10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.356 8.992 8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.936 8.616 7.930 1.00 0.00 H new ATOM 693 N ASN A 25 -10.024 4.336 9.989 1.00 0.00 N ATOM 694 CA ASN A 25 -9.619 3.330 10.966 1.00 0.00 C ATOM 695 C ASN A 25 -8.219 2.815 10.650 1.00 0.00 C ATOM 696 O ASN A 25 -7.446 2.474 11.548 1.00 0.00 O ATOM 697 CB ASN A 25 -10.614 2.167 10.979 1.00 0.00 C ATOM 698 CG ASN A 25 -10.412 1.246 12.166 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.304 0.772 12.417 1.00 0.00 O ATOM 700 ND2 ASN A 25 -11.486 0.989 12.904 1.00 0.00 N ATOM 0 H ASN A 25 -10.796 4.052 9.385 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.608 3.794 11.952 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.630 2.562 10.998 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.512 1.595 10.057 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.412 0.377 13.716 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.385 1.404 12.658 1.00 0.00 H new ATOM 707 N VAL A 26 -7.898 2.777 9.366 1.00 0.00 N ATOM 708 CA VAL A 26 -6.591 2.322 8.915 1.00 0.00 C ATOM 709 C VAL A 26 -5.549 3.383 9.215 1.00 0.00 C ATOM 710 O VAL A 26 -4.577 3.128 9.925 1.00 0.00 O ATOM 711 CB VAL A 26 -6.604 2.002 7.414 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.419 1.124 7.036 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.918 1.333 7.049 1.00 0.00 C ATOM 0 H VAL A 26 -8.528 3.057 8.614 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.341 1.406 9.451 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.514 2.931 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.450 0.911 5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.491 1.643 7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.466 0.189 7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.927 1.106 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.026 0.409 7.618 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.745 2.003 7.284 1.00 0.00 H new ATOM 723 N LYS A 27 -5.787 4.596 8.720 1.00 0.00 N ATOM 724 CA LYS A 27 -4.887 5.704 9.002 1.00 0.00 C ATOM 725 C LYS A 27 -4.785 5.860 10.512 1.00 0.00 C ATOM 726 O LYS A 27 -3.789 6.350 11.043 1.00 0.00 O ATOM 727 CB LYS A 27 -5.402 6.996 8.367 1.00 0.00 C ATOM 728 CG LYS A 27 -5.568 6.905 6.859 1.00 0.00 C ATOM 729 CD LYS A 27 -4.247 6.602 6.172 1.00 0.00 C ATOM 730 CE LYS A 27 -4.402 5.518 5.118 1.00 0.00 C ATOM 731 NZ LYS A 27 -5.053 4.297 5.667 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.585 4.832 8.130 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.904 5.498 8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.361 7.255 8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.712 7.807 8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.292 6.127 6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.970 7.844 6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.861 7.509 5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.514 6.287 6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.994 5.902 4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.422 5.258 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.843 3.485 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.690 4.110 6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.082 4.442 5.710 1.00 0.00 H new ATOM 745 N ALA A 28 -5.833 5.398 11.191 1.00 0.00 N ATOM 746 CA ALA A 28 -5.903 5.425 12.637 1.00 0.00 C ATOM 747 C ALA A 28 -4.781 4.580 13.221 1.00 0.00 C ATOM 748 O ALA A 28 -3.920 5.080 13.947 1.00 0.00 O ATOM 749 CB ALA A 28 -7.258 4.897 13.082 1.00 0.00 C ATOM 0 H ALA A 28 -6.657 4.994 10.745 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.786 6.448 12.995 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.316 4.915 14.170 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.047 5.523 12.666 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.383 3.873 12.729 1.00 0.00 H new ATOM 755 N LYS A 29 -4.788 3.293 12.879 1.00 0.00 N ATOM 756 CA LYS A 29 -3.758 2.375 13.349 1.00 0.00 C ATOM 757 C LYS A 29 -2.387 2.845 12.878 1.00 0.00 C ATOM 758 O LYS A 29 -1.422 2.844 13.642 1.00 0.00 O ATOM 759 CB LYS A 29 -4.031 0.959 12.840 1.00 0.00 C ATOM 760 CG LYS A 29 -5.168 0.259 13.567 1.00 0.00 C ATOM 761 CD LYS A 29 -6.441 0.240 12.733 1.00 0.00 C ATOM 762 CE LYS A 29 -7.019 -1.162 12.623 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.525 -1.658 13.933 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.494 2.865 12.280 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.774 2.361 14.439 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.264 1.003 11.776 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.124 0.364 12.943 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.873 -0.763 13.805 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.360 0.764 14.514 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.180 0.904 13.181 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.229 0.626 11.736 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.831 -1.164 11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.254 -1.842 12.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.911 -2.617 13.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.745 -1.680 14.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.273 -1.024 14.279 1.00 0.00 H new ATOM 777 N ILE A 30 -2.316 3.264 11.617 1.00 0.00 N ATOM 778 CA ILE A 30 -1.070 3.757 11.046 1.00 0.00 C ATOM 779 C ILE A 30 -0.602 5.008 11.787 1.00 0.00 C ATOM 780 O ILE A 30 0.589 5.314 11.822 1.00 0.00 O ATOM 781 CB ILE A 30 -1.222 4.083 9.542 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.645 2.832 8.770 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.079 4.639 8.979 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.832 3.071 7.287 1.00 0.00 C ATOM 0 H ILE A 30 -3.107 3.271 10.973 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.329 2.965 11.155 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.996 4.842 9.430 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.894 2.055 8.913 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.577 2.454 9.189 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.049 4.862 7.920 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.346 5.551 9.512 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.873 3.902 9.101 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.132 2.141 6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.605 3.825 7.134 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.895 3.420 6.854 1.00 0.00 H new ATOM 796 N GLN A 31 -1.555 5.722 12.380 1.00 0.00 N ATOM 797 CA GLN A 31 -1.253 6.937 13.126 1.00 0.00 C ATOM 798 C GLN A 31 -0.698 6.600 14.506 1.00 0.00 C ATOM 799 O GLN A 31 0.186 7.286 15.015 1.00 0.00 O ATOM 800 CB GLN A 31 -2.511 7.800 13.261 1.00 0.00 C ATOM 801 CG GLN A 31 -2.296 9.068 14.071 1.00 0.00 C ATOM 802 CD GLN A 31 -2.782 8.935 15.501 1.00 0.00 C ATOM 803 OE1 GLN A 31 -2.422 7.993 16.207 1.00 0.00 O ATOM 804 NE2 GLN A 31 -3.605 9.882 15.937 1.00 0.00 N ATOM 0 H GLN A 31 -2.545 5.478 12.357 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.495 7.497 12.578 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.864 8.070 12.266 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.298 7.209 13.729 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.235 9.318 14.073 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.817 9.895 13.589 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.878 10.645 15.318 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.964 9.846 16.891 1.00 0.00 H new ATOM 813 N ASP A 32 -1.227 5.540 15.106 1.00 0.00 N ATOM 814 CA ASP A 32 -0.786 5.112 16.429 1.00 0.00 C ATOM 815 C ASP A 32 0.445 4.210 16.343 1.00 0.00 C ATOM 816 O ASP A 32 1.101 3.945 17.350 1.00 0.00 O ATOM 817 CB ASP A 32 -1.916 4.380 17.154 1.00 0.00 C ATOM 818 CG ASP A 32 -1.579 4.082 18.601 1.00 0.00 C ATOM 819 OD1 ASP A 32 -1.106 5.001 19.302 1.00 0.00 O ATOM 820 OD2 ASP A 32 -1.787 2.929 19.034 1.00 0.00 O1- ATOM 0 H ASP A 32 -1.961 4.961 14.698 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.514 6.005 16.992 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.822 4.985 17.112 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.132 3.446 16.635 1.00 0.00 H new ATOM 825 N LYS A 33 0.753 3.733 15.138 1.00 0.00 N ATOM 826 CA LYS A 33 1.902 2.858 14.936 1.00 0.00 C ATOM 827 C LYS A 33 3.107 3.638 14.416 1.00 0.00 C ATOM 828 O LYS A 33 4.252 3.309 14.729 1.00 0.00 O ATOM 829 CB LYS A 33 1.546 1.735 13.957 1.00 0.00 C ATOM 830 CG LYS A 33 1.349 0.384 14.627 1.00 0.00 C ATOM 831 CD LYS A 33 1.865 -0.748 13.760 1.00 0.00 C ATOM 832 CE LYS A 33 3.310 -1.088 14.087 1.00 0.00 C ATOM 833 NZ LYS A 33 4.093 -1.422 12.864 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.224 3.938 14.291 1.00 0.00 H new ATOM 0 HA LYS A 33 2.167 2.425 15.901 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.634 2.004 13.425 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.337 1.650 13.212 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.867 0.374 15.586 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.290 0.231 14.835 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.241 -1.630 13.903 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.785 -0.468 12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.775 -0.244 14.597 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.337 -1.931 14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.073 -1.648 13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.665 -2.243 12.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.089 -0.608 12.216 1.00 0.00 H new ATOM 847 N GLU A 34 2.845 4.664 13.613 1.00 0.00 N ATOM 848 CA GLU A 34 3.914 5.479 13.046 1.00 0.00 C ATOM 849 C GLU A 34 3.896 6.897 13.612 1.00 0.00 C ATOM 850 O GLU A 34 4.931 7.561 13.674 1.00 0.00 O ATOM 851 CB GLU A 34 3.788 5.526 11.521 1.00 0.00 C ATOM 852 CG GLU A 34 4.656 4.502 10.807 1.00 0.00 C ATOM 853 CD GLU A 34 5.907 5.115 10.208 1.00 0.00 C ATOM 854 OE1 GLU A 34 5.830 5.630 9.073 1.00 0.00 O1- ATOM 855 OE2 GLU A 34 6.963 5.079 10.874 1.00 0.00 O ATOM 0 H GLU A 34 1.905 4.951 13.341 1.00 0.00 H new ATOM 0 HA GLU A 34 4.864 5.019 13.318 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.746 5.362 11.246 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.057 6.523 11.173 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.940 3.719 11.510 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.075 4.026 10.017 1.00 0.00 H new ATOM 862 N GLY A 35 2.718 7.358 14.019 1.00 0.00 N ATOM 863 CA GLY A 35 2.599 8.696 14.567 1.00 0.00 C ATOM 864 C GLY A 35 2.287 9.726 13.499 1.00 0.00 C ATOM 865 O GLY A 35 2.659 10.894 13.623 1.00 0.00 O ATOM 0 H GLY A 35 1.846 6.830 13.979 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.813 8.709 15.323 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.528 8.965 15.069 1.00 0.00 H new ATOM 869 N ILE A 36 1.607 9.290 12.445 1.00 0.00 N ATOM 870 CA ILE A 36 1.247 10.176 11.344 1.00 0.00 C ATOM 871 C ILE A 36 -0.267 10.374 11.268 1.00 0.00 C ATOM 872 O ILE A 36 -1.005 9.441 10.949 1.00 0.00 O ATOM 873 CB ILE A 36 1.745 9.619 9.996 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.216 9.209 10.102 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.555 10.650 8.894 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.718 8.450 8.894 1.00 0.00 C ATOM 0 H ILE A 36 1.293 8.326 12.329 1.00 0.00 H new ATOM 0 HA ILE A 36 1.727 11.135 11.538 1.00 0.00 H new ATOM 0 HB ILE A 36 1.158 8.736 9.745 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.825 10.102 10.239 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.350 8.592 10.991 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.911 10.242 7.948 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.497 10.898 8.806 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.120 11.550 9.136 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.767 8.191 9.037 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.133 7.539 8.768 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.616 9.072 8.005 1.00 0.00 H new ATOM 888 N PRO A 37 -0.755 11.595 11.560 1.00 0.00 N ATOM 889 CA PRO A 37 -2.189 11.898 11.520 1.00 0.00 C ATOM 890 C PRO A 37 -2.825 11.510 10.186 1.00 0.00 C ATOM 891 O PRO A 37 -2.187 11.602 9.137 1.00 0.00 O ATOM 892 CB PRO A 37 -2.238 13.417 11.713 1.00 0.00 C ATOM 893 CG PRO A 37 -0.982 13.746 12.442 1.00 0.00 C ATOM 894 CD PRO A 37 0.049 12.769 11.951 1.00 0.00 C ATOM 0 HA PRO A 37 -2.745 11.341 12.275 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.288 13.936 10.756 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.117 13.716 12.284 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.673 14.772 12.244 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.121 13.658 13.519 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.613 13.169 11.108 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.771 12.521 12.729 1.00 0.00 H new ATOM 902 N PRO A 38 -4.095 11.068 10.207 1.00 0.00 N ATOM 903 CA PRO A 38 -4.810 10.665 8.990 1.00 0.00 C ATOM 904 C PRO A 38 -4.815 11.762 7.929 1.00 0.00 C ATOM 905 O PRO A 38 -4.708 11.484 6.735 1.00 0.00 O ATOM 906 CB PRO A 38 -6.234 10.393 9.481 1.00 0.00 C ATOM 907 CG PRO A 38 -6.088 10.092 10.931 1.00 0.00 C ATOM 908 CD PRO A 38 -4.933 10.923 11.411 1.00 0.00 C ATOM 0 HA PRO A 38 -4.340 9.806 8.511 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.879 11.257 9.320 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.683 9.556 8.947 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.000 10.340 11.475 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.899 9.031 11.092 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.263 11.890 11.790 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.393 10.431 12.220 1.00 0.00 H new ATOM 916 N ASP A 39 -4.944 13.008 8.374 1.00 0.00 N ATOM 917 CA ASP A 39 -4.966 14.146 7.462 1.00 0.00 C ATOM 918 C ASP A 39 -3.552 14.551 7.055 1.00 0.00 C ATOM 919 O ASP A 39 -3.334 15.052 5.952 1.00 0.00 O ATOM 920 CB ASP A 39 -5.681 15.332 8.112 1.00 0.00 C ATOM 921 CG ASP A 39 -7.183 15.140 8.172 1.00 0.00 C ATOM 922 OD1 ASP A 39 -7.626 14.009 8.464 1.00 0.00 O1- ATOM 923 OD2 ASP A 39 -7.917 16.120 7.925 1.00 0.00 O ATOM 0 H ASP A 39 -5.035 13.255 9.359 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.509 13.848 6.565 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.295 15.476 9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.456 16.240 7.552 1.00 0.00 H new ATOM 928 N GLN A 40 -2.597 14.333 7.953 1.00 0.00 N ATOM 929 CA GLN A 40 -1.205 14.677 7.686 1.00 0.00 C ATOM 930 C GLN A 40 -0.684 13.940 6.457 1.00 0.00 C ATOM 931 O GLN A 40 0.183 14.441 5.742 1.00 0.00 O ATOM 932 CB GLN A 40 -0.335 14.348 8.901 1.00 0.00 C ATOM 933 CG GLN A 40 -0.193 15.502 9.880 1.00 0.00 C ATOM 934 CD GLN A 40 0.327 16.765 9.220 1.00 0.00 C ATOM 935 OE1 GLN A 40 -0.418 17.722 9.013 1.00 0.00 O ATOM 936 NE2 GLN A 40 1.613 16.772 8.888 1.00 0.00 N ATOM 0 H GLN A 40 -2.761 13.920 8.871 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.154 15.748 7.490 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.763 13.491 9.422 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.656 14.050 8.558 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.161 15.707 10.337 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.484 15.211 10.683 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.193 15.955 9.079 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.020 17.594 8.442 1.00 0.00 H new ATOM 945 N GLN A 41 -1.215 12.745 6.218 1.00 0.00 N ATOM 946 CA GLN A 41 -0.800 11.940 5.077 1.00 0.00 C ATOM 947 C GLN A 41 -2.008 11.419 4.303 1.00 0.00 C ATOM 948 O GLN A 41 -3.128 11.411 4.813 1.00 0.00 O ATOM 949 CB GLN A 41 0.065 10.769 5.546 1.00 0.00 C ATOM 950 CG GLN A 41 -0.695 9.739 6.367 1.00 0.00 C ATOM 951 CD GLN A 41 0.219 8.710 7.002 1.00 0.00 C ATOM 952 OE1 GLN A 41 1.362 8.534 6.581 1.00 0.00 O ATOM 953 NE2 GLN A 41 -0.282 8.022 8.022 1.00 0.00 N ATOM 0 H GLN A 41 -1.933 12.314 6.800 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.216 12.574 4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.499 10.278 4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.893 11.155 6.140 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.261 10.248 7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.418 9.232 5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.235 8.200 8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.286 7.315 8.489 1.00 0.00 H new ATOM 962 N ARG A 42 -1.770 10.983 3.071 1.00 0.00 N ATOM 963 CA ARG A 42 -2.834 10.456 2.225 1.00 0.00 C ATOM 964 C ARG A 42 -2.507 9.038 1.769 1.00 0.00 C ATOM 965 O ARG A 42 -1.375 8.578 1.909 1.00 0.00 O ATOM 966 CB ARG A 42 -3.046 11.360 1.009 1.00 0.00 C ATOM 967 CG ARG A 42 -3.143 12.837 1.358 1.00 0.00 C ATOM 968 CD ARG A 42 -1.768 13.458 1.542 1.00 0.00 C ATOM 969 NE ARG A 42 -1.794 14.908 1.359 1.00 0.00 N ATOM 970 CZ ARG A 42 -1.801 15.505 0.168 1.00 0.00 C ATOM 971 NH1 ARG A 42 -1.785 14.783 -0.945 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -1.825 16.828 0.092 1.00 0.00 N ATOM 0 H ARG A 42 -0.848 10.984 2.635 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.753 10.430 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.223 11.214 0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.958 11.056 0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.679 13.364 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.723 12.958 2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.395 13.225 2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.072 13.015 0.830 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.808 15.497 2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.767 13.765 -0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.791 15.246 -1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.838 17.388 0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.830 17.286 -0.819 1.00 0.00 H new ATOM 986 N LEU A 43 -3.504 8.349 1.224 1.00 0.00 N ATOM 987 CA LEU A 43 -3.314 6.983 0.749 1.00 0.00 C ATOM 988 C LEU A 43 -3.929 6.794 -0.633 1.00 0.00 C ATOM 989 O LEU A 43 -4.975 7.363 -0.943 1.00 0.00 O ATOM 990 CB LEU A 43 -3.924 5.986 1.734 1.00 0.00 C ATOM 991 CG LEU A 43 -3.165 4.672 1.877 1.00 0.00 C ATOM 992 CD1 LEU A 43 -1.778 4.941 2.409 1.00 0.00 C ATOM 993 CD2 LEU A 43 -3.919 3.709 2.783 1.00 0.00 C ATOM 0 H LEU A 43 -4.449 8.712 1.100 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.242 6.799 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.988 6.459 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.944 5.766 1.419 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.079 4.204 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.238 3.999 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.244 5.593 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.849 5.425 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.359 2.778 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.038 4.156 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.901 3.503 2.358 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.269 5.989 -1.460 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.747 5.722 -2.810 1.00 0.00 C ATOM 1007 C ILE A 44 -3.559 4.252 -3.175 1.00 0.00 C ATOM 1008 O ILE A 44 -2.580 3.624 -2.774 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.017 6.596 -3.849 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.025 8.061 -3.409 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.662 6.443 -5.218 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -2.062 8.932 -4.186 1.00 0.00 C ATOM 0 H ILE A 44 -2.401 5.511 -1.218 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.809 5.966 -2.826 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.981 6.263 -3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.033 8.460 -3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.776 8.115 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.135 7.066 -5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.608 5.400 -5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.706 6.752 -5.165 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.122 9.957 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.046 8.559 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.323 8.909 -5.244 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.504 3.710 -3.937 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.440 2.313 -4.352 1.00 0.00 C ATOM 1026 C PHE A 45 -4.943 2.146 -5.782 1.00 0.00 C ATOM 1027 O PHE A 45 -6.069 2.526 -6.104 1.00 0.00 O ATOM 1028 CB PHE A 45 -5.263 1.441 -3.403 1.00 0.00 C ATOM 1029 CG PHE A 45 -5.152 -0.029 -3.690 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.919 -0.662 -3.664 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -6.279 -0.779 -3.985 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -3.813 -2.014 -3.927 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -6.179 -2.131 -4.249 1.00 0.00 C ATOM 1034 CZ PHE A 45 -4.944 -2.750 -4.220 1.00 0.00 C ATOM 0 H PHE A 45 -5.321 4.216 -4.279 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.398 1.995 -4.315 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.940 1.628 -2.379 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.310 1.737 -3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.031 -0.092 -3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.247 -0.301 -4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.846 -2.495 -3.903 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.065 -2.704 -4.478 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.863 -3.807 -4.426 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.101 1.573 -6.636 1.00 0.00 N ATOM 1045 CA ALA A 46 -4.459 1.353 -8.034 1.00 0.00 C ATOM 1046 C ALA A 46 -4.874 2.655 -8.709 1.00 0.00 C ATOM 1047 O ALA A 46 -5.713 2.659 -9.610 1.00 0.00 O ATOM 1048 CB ALA A 46 -5.575 0.325 -8.135 1.00 0.00 C ATOM 0 H ALA A 46 -3.166 1.252 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.579 0.973 -8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.833 0.170 -9.183 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.242 -0.617 -7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.451 0.685 -7.595 1.00 0.00 H new ATOM 1054 N GLY A 47 -4.284 3.760 -8.265 1.00 0.00 N ATOM 1055 CA GLY A 47 -4.606 5.054 -8.837 1.00 0.00 C ATOM 1056 C GLY A 47 -5.921 5.605 -8.319 1.00 0.00 C ATOM 1057 O GLY A 47 -6.571 6.409 -8.988 1.00 0.00 O ATOM 0 H GLY A 47 -3.589 3.782 -7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.806 5.758 -8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.654 4.966 -9.922 1.00 0.00 H new ATOM 1061 N LYS A 48 -6.313 5.174 -7.125 1.00 0.00 N ATOM 1062 CA LYS A 48 -7.558 5.630 -6.517 1.00 0.00 C ATOM 1063 C LYS A 48 -7.296 6.270 -5.158 1.00 0.00 C ATOM 1064 O LYS A 48 -6.882 5.598 -4.213 1.00 0.00 O ATOM 1065 CB LYS A 48 -8.533 4.461 -6.364 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.129 3.990 -7.680 1.00 0.00 C ATOM 1067 CD LYS A 48 -10.315 3.066 -7.456 1.00 0.00 C ATOM 1068 CE LYS A 48 -10.339 1.934 -8.470 1.00 0.00 C ATOM 1069 NZ LYS A 48 -10.858 0.670 -7.878 1.00 0.00 N1+ ATOM 0 H LYS A 48 -5.786 4.509 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.001 6.380 -7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.016 3.627 -5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.340 4.757 -5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.444 4.853 -8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.367 3.471 -8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.270 2.652 -6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.241 3.637 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.961 2.220 -9.319 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.332 1.769 -8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.859 -0.077 -8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.250 0.383 -7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.828 0.820 -7.535 1.00 0.00 H new ATOM 1083 N GLN A 49 -7.539 7.573 -5.066 1.00 0.00 N ATOM 1084 CA GLN A 49 -7.329 8.304 -3.822 1.00 0.00 C ATOM 1085 C GLN A 49 -8.199 7.739 -2.705 1.00 0.00 C ATOM 1086 O GLN A 49 -9.403 7.991 -2.654 1.00 0.00 O ATOM 1087 CB GLN A 49 -7.635 9.790 -4.022 1.00 0.00 C ATOM 1088 CG GLN A 49 -6.738 10.710 -3.211 1.00 0.00 C ATOM 1089 CD GLN A 49 -7.315 11.033 -1.846 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -8.096 10.260 -1.291 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -6.931 12.179 -1.298 1.00 0.00 N ATOM 0 H GLN A 49 -7.882 8.145 -5.838 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.284 8.191 -3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.532 10.035 -5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.674 9.978 -3.751 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.761 10.242 -3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.580 11.636 -3.763 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.282 12.789 -1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.285 12.450 -0.381 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.582 6.974 -1.810 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.301 6.373 -0.692 1.00 0.00 C ATOM 1102 C LEU A 50 -8.937 7.447 0.185 1.00 0.00 C ATOM 1103 O LEU A 50 -8.248 8.142 0.932 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.354 5.509 0.143 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.337 4.024 -0.225 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.011 3.840 -1.698 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.346 3.272 0.643 1.00 0.00 C ATOM 0 H LEU A 50 -6.586 6.756 -1.837 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.094 5.744 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.343 5.904 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.631 5.604 1.193 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.330 3.614 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.004 2.777 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.764 4.344 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.031 4.267 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.348 2.218 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.348 3.684 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.630 3.373 1.691 1.00 0.00 H new ATOM 1119 N GLU A 51 -10.256 7.577 0.088 1.00 0.00 N ATOM 1120 CA GLU A 51 -10.988 8.565 0.871 1.00 0.00 C ATOM 1121 C GLU A 51 -10.776 8.338 2.367 1.00 0.00 C ATOM 1122 O GLU A 51 -9.856 7.630 2.772 1.00 0.00 O ATOM 1123 CB GLU A 51 -12.480 8.506 0.534 1.00 0.00 C ATOM 1124 CG GLU A 51 -13.114 9.874 0.338 1.00 0.00 C ATOM 1125 CD GLU A 51 -14.547 9.929 0.829 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -15.164 8.853 0.981 1.00 0.00 O1- ATOM 1127 OE2 GLU A 51 -15.053 11.047 1.062 1.00 0.00 O ATOM 0 H GLU A 51 -10.840 7.010 -0.526 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.606 9.554 0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.616 7.918 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.004 7.983 1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.524 10.623 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.086 10.135 -0.720 1.00 0.00 H new ATOM 1134 N ASP A 52 -11.633 8.947 3.182 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.538 8.809 4.631 1.00 0.00 C ATOM 1136 C ASP A 52 -12.479 7.720 5.138 1.00 0.00 C ATOM 1137 O ASP A 52 -12.216 7.086 6.160 1.00 0.00 O ATOM 1138 CB ASP A 52 -11.862 10.139 5.312 1.00 0.00 C ATOM 1139 CG ASP A 52 -10.953 10.422 6.493 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -9.757 10.068 6.418 1.00 0.00 O1- ATOM 1141 OD2 ASP A 52 -11.436 10.996 7.491 1.00 0.00 O ATOM 0 H ASP A 52 -12.400 9.540 2.864 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.516 8.522 4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.772 10.947 4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.898 10.128 5.649 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.577 7.509 4.418 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.540 6.498 4.812 1.00 0.00 C ATOM 1148 C GLY A 53 -14.698 5.406 3.770 1.00 0.00 C ATOM 1149 O GLY A 53 -15.812 5.103 3.345 1.00 0.00 O ATOM 0 H GLY A 53 -13.816 8.021 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.227 6.052 5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.506 6.971 4.987 1.00 0.00 H new ATOM 1153 N ARG A 54 -13.580 4.816 3.360 1.00 0.00 N ATOM 1154 CA ARG A 54 -13.599 3.751 2.363 1.00 0.00 C ATOM 1155 C ARG A 54 -13.054 2.451 2.946 1.00 0.00 C ATOM 1156 O ARG A 54 -12.065 2.455 3.678 1.00 0.00 O ATOM 1157 CB ARG A 54 -12.780 4.156 1.137 1.00 0.00 C ATOM 1158 CG ARG A 54 -13.354 5.348 0.388 1.00 0.00 C ATOM 1159 CD ARG A 54 -14.248 4.908 -0.763 1.00 0.00 C ATOM 1160 NE ARG A 54 -15.638 5.308 -0.559 1.00 0.00 N ATOM 1161 CZ ARG A 54 -16.097 6.537 -0.785 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -15.281 7.488 -1.222 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -17.377 6.816 -0.576 1.00 0.00 N ATOM 0 H ARG A 54 -12.650 5.057 3.702 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.634 3.588 2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.763 4.390 1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.716 3.307 0.457 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.926 5.970 1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.540 5.963 0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.879 5.339 -1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.194 3.825 -0.870 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.296 4.604 -0.224 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.296 7.279 -1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.639 8.428 -1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.010 6.089 -0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.729 7.758 -0.749 1.00 0.00 H new ATOM 1177 N THR A 55 -13.707 1.341 2.619 1.00 0.00 N ATOM 1178 CA THR A 55 -13.288 0.034 3.113 1.00 0.00 C ATOM 1179 C THR A 55 -12.519 -0.735 2.043 1.00 0.00 C ATOM 1180 O THR A 55 -12.806 -0.618 0.851 1.00 0.00 O ATOM 1181 CB THR A 55 -14.504 -0.777 3.564 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.268 -1.198 2.448 1.00 0.00 O ATOM 1183 CG2 THR A 55 -15.424 -0.011 4.488 1.00 0.00 C ATOM 0 H THR A 55 -14.528 1.320 2.014 1.00 0.00 H new ATOM 0 HA THR A 55 -12.627 0.192 3.965 1.00 0.00 H new ATOM 0 HB THR A 55 -14.097 -1.630 4.108 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.040 -1.716 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.266 -0.644 4.770 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.877 0.285 5.383 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.794 0.879 3.978 1.00 0.00 H new ATOM 1191 N LEU A 56 -11.538 -1.521 2.478 1.00 0.00 N ATOM 1192 CA LEU A 56 -10.724 -2.311 1.562 1.00 0.00 C ATOM 1193 C LEU A 56 -11.589 -3.250 0.728 1.00 0.00 C ATOM 1194 O LEU A 56 -11.331 -3.455 -0.458 1.00 0.00 O ATOM 1195 CB LEU A 56 -9.683 -3.113 2.343 1.00 0.00 C ATOM 1196 CG LEU A 56 -8.570 -2.274 2.973 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.940 -1.870 4.383 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -7.257 -3.031 2.995 1.00 0.00 C ATOM 0 H LEU A 56 -11.288 -1.627 3.461 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.215 -1.626 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.190 -3.670 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.232 -3.846 1.674 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.449 -1.380 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.135 -1.274 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.857 -1.282 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.094 -2.763 4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.486 -2.409 3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.374 -3.945 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.966 -3.284 1.976 1.00 0.00 H new ATOM 1210 N SER A 57 -12.617 -3.813 1.353 1.00 0.00 N ATOM 1211 CA SER A 57 -13.521 -4.726 0.662 1.00 0.00 C ATOM 1212 C SER A 57 -14.110 -4.066 -0.581 1.00 0.00 C ATOM 1213 O SER A 57 -14.428 -4.737 -1.562 1.00 0.00 O ATOM 1214 CB SER A 57 -14.643 -5.175 1.600 1.00 0.00 C ATOM 1215 OG SER A 57 -15.695 -5.793 0.879 1.00 0.00 O ATOM 0 H SER A 57 -12.845 -3.654 2.334 1.00 0.00 H new ATOM 0 HA SER A 57 -12.950 -5.601 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.246 -5.871 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.029 -4.315 2.147 1.00 0.00 H new ATOM 0 HG SER A 57 -16.398 -6.072 1.502 1.00 0.00 H new ATOM 1221 N ASP A 58 -14.245 -2.744 -0.532 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.788 -1.988 -1.654 1.00 0.00 C ATOM 1223 C ASP A 58 -13.673 -1.552 -2.600 1.00 0.00 C ATOM 1224 O ASP A 58 -13.828 -1.596 -3.820 1.00 0.00 O ATOM 1225 CB ASP A 58 -15.553 -0.763 -1.150 1.00 0.00 C ATOM 1226 CG ASP A 58 -16.233 -0.003 -2.271 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -16.822 -0.656 -3.158 1.00 0.00 O1- ATOM 1228 OD2 ASP A 58 -16.174 1.244 -2.264 1.00 0.00 O ATOM 0 H ASP A 58 -13.985 -2.175 0.273 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.475 -2.635 -2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -16.301 -1.079 -0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.865 -0.097 -0.629 1.00 0.00 H new ATOM 1233 N TYR A 59 -12.548 -1.136 -2.027 1.00 0.00 N ATOM 1234 CA TYR A 59 -11.403 -0.696 -2.816 1.00 0.00 C ATOM 1235 C TYR A 59 -10.680 -1.883 -3.451 1.00 0.00 C ATOM 1236 O TYR A 59 -9.836 -1.707 -4.329 1.00 0.00 O ATOM 1237 CB TYR A 59 -10.432 0.101 -1.942 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.567 1.599 -2.094 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.682 2.181 -3.351 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.580 2.432 -0.982 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -10.806 3.550 -3.494 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -10.704 3.802 -1.117 1.00 0.00 C ATOM 1243 CZ TYR A 59 -10.817 4.356 -2.376 1.00 0.00 C ATOM 1244 OH TYR A 59 -10.940 5.719 -2.514 1.00 0.00 O ATOM 0 H TYR A 59 -12.405 -1.094 -1.018 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.774 -0.055 -3.616 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.595 -0.165 -0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.411 -0.190 -2.190 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.674 1.553 -4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.492 2.002 0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.894 3.987 -4.478 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.712 4.435 -0.242 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.746 6.024 -2.048 1.00 0.00 H new ATOM 1254 N ASN A 60 -11.015 -3.092 -3.003 1.00 0.00 N ATOM 1255 CA ASN A 60 -10.397 -4.306 -3.529 1.00 0.00 C ATOM 1256 C ASN A 60 -8.957 -4.446 -3.039 1.00 0.00 C ATOM 1257 O ASN A 60 -8.073 -4.854 -3.791 1.00 0.00 O ATOM 1258 CB ASN A 60 -10.430 -4.307 -5.060 1.00 0.00 C ATOM 1259 CG ASN A 60 -10.627 -5.696 -5.633 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -10.405 -6.698 -4.953 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -11.045 -5.763 -6.892 1.00 0.00 N ATOM 0 H ASN A 60 -11.712 -3.256 -2.276 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.970 -5.157 -3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.235 -3.658 -5.404 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.498 -3.889 -5.441 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.194 -6.671 -7.332 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.217 -4.907 -7.419 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.731 -4.108 -1.773 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.400 -4.202 -1.187 1.00 0.00 C ATOM 1270 C ILE A 61 -7.208 -5.542 -0.483 1.00 0.00 C ATOM 1271 O ILE A 61 -7.666 -5.735 0.642 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.139 -3.062 -0.181 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.484 -1.710 -0.804 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -5.689 -3.085 0.277 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.518 -0.578 0.200 1.00 0.00 C ATOM 0 H ILE A 61 -9.451 -3.768 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.687 -4.116 -2.007 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.779 -3.212 0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.753 -1.478 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.455 -1.781 -1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.519 -2.275 0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.474 -4.040 0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.033 -2.957 -0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.769 0.353 -0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.269 -0.789 0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.540 -0.481 0.672 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.527 -6.466 -1.156 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.275 -7.790 -0.596 1.00 0.00 C ATOM 1289 C GLN A 62 -5.273 -7.719 0.551 1.00 0.00 C ATOM 1290 O GLN A 62 -4.828 -6.636 0.934 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.757 -8.734 -1.683 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.861 -9.463 -2.432 1.00 0.00 C ATOM 1293 CD GLN A 62 -7.106 -10.859 -1.893 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -6.718 -11.852 -2.508 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -7.756 -10.942 -0.737 1.00 0.00 N ATOM 0 H GLN A 62 -6.140 -6.322 -2.089 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.217 -8.175 -0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.162 -8.163 -2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.092 -9.468 -1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.783 -8.885 -2.366 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.599 -9.526 -3.488 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.060 -10.093 -0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.951 -11.855 -0.326 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.921 -8.880 1.096 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.972 -8.949 2.200 1.00 0.00 C ATOM 1306 C LYS A 63 -2.554 -8.660 1.718 1.00 0.00 C ATOM 1307 O LYS A 63 -2.205 -8.949 0.574 1.00 0.00 O ATOM 1308 CB LYS A 63 -4.028 -10.326 2.866 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.546 -11.457 1.972 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.165 -12.785 2.370 1.00 0.00 C ATOM 1311 CE LYS A 63 -5.658 -12.816 2.086 1.00 0.00 C ATOM 1312 NZ LYS A 63 -6.421 -13.463 3.188 1.00 0.00 N1+ ATOM 0 H LYS A 63 -5.279 -9.785 0.790 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.249 -8.190 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.422 -10.307 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.054 -10.530 3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.797 -11.234 0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.460 -11.529 2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.674 -13.593 1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.992 -12.964 3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.021 -11.798 1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.839 -13.353 1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.435 -13.464 2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.093 -14.442 3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.269 -12.936 4.071 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.741 -8.085 2.600 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.360 -7.751 2.267 1.00 0.00 C ATOM 1328 C GLU A 64 -0.292 -6.890 1.008 1.00 0.00 C ATOM 1329 O GLU A 64 0.723 -6.872 0.311 1.00 0.00 O ATOM 1330 CB GLU A 64 0.465 -9.025 2.073 1.00 0.00 C ATOM 1331 CG GLU A 64 0.826 -9.720 3.375 1.00 0.00 C ATOM 1332 CD GLU A 64 1.705 -10.937 3.163 1.00 0.00 C ATOM 1333 OE1 GLU A 64 2.496 -10.937 2.196 1.00 0.00 O ATOM 1334 OE2 GLU A 64 1.602 -11.890 3.963 1.00 0.00 O1- ATOM 0 H GLU A 64 -2.015 -7.841 3.552 1.00 0.00 H new ATOM 0 HA GLU A 64 0.056 -7.180 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.094 -9.718 1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.381 -8.777 1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.340 -9.015 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.088 -10.021 3.887 1.00 0.00 H new ATOM 1341 N SER A 65 -1.378 -6.177 0.724 1.00 0.00 N ATOM 1342 CA SER A 65 -1.438 -5.313 -0.449 1.00 0.00 C ATOM 1343 C SER A 65 -0.571 -4.075 -0.252 1.00 0.00 C ATOM 1344 O SER A 65 -0.380 -3.612 0.873 1.00 0.00 O ATOM 1345 CB SER A 65 -2.884 -4.899 -0.729 1.00 0.00 C ATOM 1346 OG SER A 65 -3.522 -5.823 -1.593 1.00 0.00 O ATOM 0 H SER A 65 -2.227 -6.181 1.290 1.00 0.00 H new ATOM 0 HA SER A 65 -1.056 -5.871 -1.304 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.435 -4.834 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.901 -3.906 -1.178 1.00 0.00 H new ATOM 0 HG SER A 65 -4.302 -5.399 -2.007 1.00 0.00 H new ATOM 1352 N THR A 66 -0.044 -3.546 -1.350 1.00 0.00 N ATOM 1353 CA THR A 66 0.806 -2.364 -1.292 1.00 0.00 C ATOM 1354 C THR A 66 -0.018 -1.089 -1.440 1.00 0.00 C ATOM 1355 O THR A 66 -0.411 -0.717 -2.545 1.00 0.00 O ATOM 1356 CB THR A 66 1.883 -2.424 -2.377 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.610 -3.461 -3.303 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.270 -2.659 -1.820 1.00 0.00 C ATOM 0 H THR A 66 -0.190 -3.916 -2.289 1.00 0.00 H new ATOM 0 HA THR A 66 1.290 -2.347 -0.316 1.00 0.00 H new ATOM 0 HB THR A 66 1.860 -1.449 -2.864 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.310 -3.480 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.990 -2.692 -2.638 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.531 -1.849 -1.139 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.290 -3.606 -1.281 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.271 -0.423 -0.318 1.00 0.00 N ATOM 1367 CA LEU A 67 -1.045 0.813 -0.323 1.00 0.00 C ATOM 1368 C LEU A 67 -0.122 2.027 -0.358 1.00 0.00 C ATOM 1369 O LEU A 67 0.666 2.246 0.561 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.954 0.881 0.909 1.00 0.00 C ATOM 1371 CG LEU A 67 -3.199 -0.004 0.851 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -4.144 0.328 1.995 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.910 0.145 -0.486 1.00 0.00 C ATOM 0 H LEU A 67 0.048 -0.718 0.605 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.665 0.821 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.371 0.602 1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.269 1.915 1.051 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.881 -1.042 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.024 -0.312 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.637 0.162 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.449 1.372 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.792 -0.495 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.212 1.183 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.236 -0.147 -1.291 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.224 2.810 -1.427 1.00 0.00 N ATOM 1386 CA HIS A 68 0.603 3.999 -1.586 1.00 0.00 C ATOM 1387 C HIS A 68 0.244 5.056 -0.547 1.00 0.00 C ATOM 1388 O HIS A 68 -0.930 5.295 -0.270 1.00 0.00 O ATOM 1389 CB HIS A 68 0.441 4.575 -2.994 1.00 0.00 C ATOM 1390 CG HIS A 68 1.434 4.039 -3.977 1.00 0.00 C ATOM 1391 ND1 HIS A 68 1.436 4.387 -5.312 1.00 0.00 N ATOM 1392 CD2 HIS A 68 2.464 3.174 -3.815 1.00 0.00 C ATOM 1393 CE1 HIS A 68 2.422 3.760 -5.928 1.00 0.00 C ATOM 1394 NE2 HIS A 68 3.062 3.019 -5.041 1.00 0.00 N ATOM 0 H HIS A 68 -0.872 2.642 -2.196 1.00 0.00 H new ATOM 0 HA HIS A 68 1.643 3.709 -1.437 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.566 4.359 -3.352 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.537 5.660 -2.947 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.760 2.695 -2.893 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.664 3.840 -6.978 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.870 2.427 -5.236 1.00 0.00 H new ATOM 1403 N LEU A 69 1.267 5.685 0.026 1.00 0.00 N ATOM 1404 CA LEU A 69 1.064 6.717 1.034 1.00 0.00 C ATOM 1405 C LEU A 69 1.733 8.023 0.619 1.00 0.00 C ATOM 1406 O LEU A 69 2.851 8.024 0.106 1.00 0.00 O ATOM 1407 CB LEU A 69 1.615 6.257 2.385 1.00 0.00 C ATOM 1408 CG LEU A 69 1.274 7.162 3.562 1.00 0.00 C ATOM 1409 CD1 LEU A 69 1.334 6.391 4.873 1.00 0.00 C ATOM 1410 CD2 LEU A 69 2.225 8.337 3.587 1.00 0.00 C ATOM 0 H LEU A 69 2.245 5.496 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.008 6.891 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.235 5.257 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.699 6.177 2.310 1.00 0.00 H new ATOM 0 HG LEU A 69 0.255 7.531 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.087 7.058 5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.619 5.568 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.339 5.994 5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.981 8.985 4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.248 7.975 3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.133 8.900 2.658 1.00 0.00 H new ATOM 1422 N VAL A 70 1.040 9.134 0.847 1.00 0.00 N ATOM 1423 CA VAL A 70 1.565 10.449 0.500 1.00 0.00 C ATOM 1424 C VAL A 70 1.733 11.315 1.744 1.00 0.00 C ATOM 1425 O VAL A 70 0.789 11.964 2.193 1.00 0.00 O ATOM 1426 CB VAL A 70 0.645 11.176 -0.499 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.273 12.483 -0.958 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.332 10.281 -1.688 1.00 0.00 C ATOM 0 H VAL A 70 0.112 9.149 1.271 1.00 0.00 H new ATOM 0 HA VAL A 70 2.538 10.291 0.035 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.291 11.410 0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.606 12.979 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.437 13.130 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.227 12.277 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.319 10.813 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.259 10.011 -2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.169 9.377 -1.341 1.00 0.00 H new ATOM 1438 N LEU A 71 2.941 11.319 2.297 1.00 0.00 N ATOM 1439 CA LEU A 71 3.232 12.104 3.492 1.00 0.00 C ATOM 1440 C LEU A 71 3.262 13.596 3.170 1.00 0.00 C ATOM 1441 O LEU A 71 4.085 14.053 2.376 1.00 0.00 O ATOM 1442 CB LEU A 71 4.570 11.670 4.096 1.00 0.00 C ATOM 1443 CG LEU A 71 4.554 11.448 5.610 1.00 0.00 C ATOM 1444 CD1 LEU A 71 4.069 12.699 6.327 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.681 10.255 5.964 1.00 0.00 C ATOM 0 H LEU A 71 3.734 10.788 1.937 1.00 0.00 H new ATOM 0 HA LEU A 71 2.439 11.926 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.888 10.747 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.319 12.426 3.863 1.00 0.00 H new ATOM 0 HG LEU A 71 5.572 11.237 5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.064 12.523 7.403 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.735 13.531 6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.060 12.941 5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.681 10.112 7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.662 10.436 5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.073 9.361 5.479 1.00 0.00 H new ATOM 1457 N ARG A 72 2.362 14.348 3.794 1.00 0.00 N ATOM 1458 CA ARG A 72 2.286 15.788 3.575 1.00 0.00 C ATOM 1459 C ARG A 72 3.275 16.526 4.472 1.00 0.00 C ATOM 1460 O ARG A 72 2.901 17.075 5.507 1.00 0.00 O ATOM 1461 CB ARG A 72 0.865 16.292 3.840 1.00 0.00 C ATOM 1462 CG ARG A 72 0.539 17.594 3.127 1.00 0.00 C ATOM 1463 CD ARG A 72 0.845 18.800 4.001 1.00 0.00 C ATOM 1464 NE ARG A 72 -0.019 19.936 3.688 1.00 0.00 N ATOM 1465 CZ ARG A 72 -1.337 19.941 3.878 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -1.946 18.872 4.379 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -2.047 21.016 3.567 1.00 0.00 N ATOM 0 H ARG A 72 1.675 13.985 4.455 1.00 0.00 H new ATOM 0 HA ARG A 72 2.546 15.987 2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.153 15.528 3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.732 16.432 4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.114 17.658 2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.515 17.603 2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.722 18.529 5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.887 19.090 3.867 1.00 0.00 H new ATOM 0 HE ARG A 72 0.413 20.775 3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.404 18.042 4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.956 18.881 4.523 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.584 21.839 3.182 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.057 21.020 3.712 1.00 0.00 H new