USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 672 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 57 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 MET CE :methyl 162:sc= -0.0303 (180deg=-0.528) USER MOD Single : A 26 HIS : no HD1:sc= -4.5! C(o=-4.5!,f=-12!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.5!) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 48 SER OG : rot -58:sc= 0.359 USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0564) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.669 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -91:sc= 0.913 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -5.43! C(o=-5.4!,f=-7.4!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.3!) USER MOD Single : A 96 THR OG1 : rot 85:sc= 0.164 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.0527 K(o=-0.053,f=-1.7!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 32:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 26 1.747 7.994 -5.718 1.00 0.00 N ATOM 308 CA HIS A 26 1.912 8.345 -4.318 1.00 0.00 C ATOM 309 C HIS A 26 2.650 7.220 -3.590 1.00 0.00 C ATOM 310 O HIS A 26 2.367 6.043 -3.809 1.00 0.00 O ATOM 311 CB HIS A 26 0.563 8.680 -3.679 1.00 0.00 C ATOM 312 CG HIS A 26 0.672 9.350 -2.330 1.00 0.00 C ATOM 313 ND1 HIS A 26 1.077 8.678 -1.190 1.00 0.00 N ATOM 314 CD2 HIS A 26 0.425 10.637 -1.951 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.070 9.531 -0.177 1.00 0.00 C ATOM 316 NE2 HIS A 26 0.664 10.745 -0.650 1.00 0.00 N ATOM 0 HA HIS A 26 2.521 9.245 -4.235 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.005 9.331 -4.352 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.015 7.762 -3.572 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.091 11.433 -2.600 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.339 9.305 0.844 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.561 11.595 -0.095 1.00 0.00 H new ATOM 324 N PRO A 27 3.607 7.632 -2.716 1.00 0.00 N ATOM 325 CA PRO A 27 4.388 6.672 -1.954 1.00 0.00 C ATOM 326 C PRO A 27 3.559 6.070 -0.817 1.00 0.00 C ATOM 327 O PRO A 27 3.684 4.885 -0.513 1.00 0.00 O ATOM 328 CB PRO A 27 5.596 7.451 -1.461 1.00 0.00 C ATOM 329 CG PRO A 27 5.218 8.919 -1.569 1.00 0.00 C ATOM 330 CD PRO A 27 3.970 9.017 -2.430 1.00 0.00 C ATOM 0 HA PRO A 27 4.700 5.815 -2.551 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.839 7.185 -0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.476 7.229 -2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.034 9.339 -0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.033 9.491 -2.012 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.168 9.537 -1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.164 9.573 -3.347 1.00 0.00 H new ATOM 338 N GLY A 28 2.732 6.915 -0.220 1.00 0.00 N ATOM 339 CA GLY A 28 1.883 6.482 0.877 1.00 0.00 C ATOM 340 C GLY A 28 1.038 5.272 0.472 1.00 0.00 C ATOM 341 O GLY A 28 0.683 4.449 1.313 1.00 0.00 O ATOM 0 H GLY A 28 2.632 7.897 -0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.499 6.228 1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.230 7.300 1.181 1.00 0.00 H new ATOM 345 N VAL A 29 0.742 5.203 -0.818 1.00 0.00 N ATOM 346 CA VAL A 29 -0.054 4.107 -1.345 1.00 0.00 C ATOM 347 C VAL A 29 0.852 2.901 -1.600 1.00 0.00 C ATOM 348 O VAL A 29 0.612 1.817 -1.069 1.00 0.00 O ATOM 349 CB VAL A 29 -0.808 4.563 -2.596 1.00 0.00 C ATOM 350 CG1 VAL A 29 -1.673 3.433 -3.157 1.00 0.00 C ATOM 351 CG2 VAL A 29 -1.651 5.806 -2.305 1.00 0.00 C ATOM 0 H VAL A 29 1.039 5.888 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.808 3.800 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.071 4.828 -3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.198 3.784 -4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.039 2.586 -3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.399 3.123 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.177 6.109 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.376 5.579 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.002 6.616 -1.974 1.00 0.00 H new ATOM 361 N LEU A 30 1.874 3.129 -2.412 1.00 0.00 N ATOM 362 CA LEU A 30 2.817 2.074 -2.743 1.00 0.00 C ATOM 363 C LEU A 30 3.179 1.302 -1.473 1.00 0.00 C ATOM 364 O LEU A 30 3.377 0.089 -1.515 1.00 0.00 O ATOM 365 CB LEU A 30 4.028 2.650 -3.479 1.00 0.00 C ATOM 366 CG LEU A 30 3.725 3.447 -4.750 1.00 0.00 C ATOM 367 CD1 LEU A 30 4.729 4.586 -4.936 1.00 0.00 C ATOM 368 CD2 LEU A 30 3.666 2.529 -5.972 1.00 0.00 C ATOM 0 H LEU A 30 2.070 4.029 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 30 2.364 1.361 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.573 3.296 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.694 1.828 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 30 2.740 3.901 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.491 5.136 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.677 5.260 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.735 4.175 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.449 3.121 -6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.625 2.026 -6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.882 1.785 -5.831 1.00 0.00 H new ATOM 380 N LYS A 31 3.254 2.037 -0.373 1.00 0.00 N ATOM 381 CA LYS A 31 3.589 1.437 0.907 1.00 0.00 C ATOM 382 C LYS A 31 2.733 0.186 1.118 1.00 0.00 C ATOM 383 O LYS A 31 3.194 -0.795 1.699 1.00 0.00 O ATOM 384 CB LYS A 31 3.461 2.466 2.031 1.00 0.00 C ATOM 385 CG LYS A 31 4.733 2.511 2.881 1.00 0.00 C ATOM 386 CD LYS A 31 4.851 3.844 3.622 1.00 0.00 C ATOM 387 CE LYS A 31 6.285 4.080 4.100 1.00 0.00 C ATOM 388 NZ LYS A 31 6.499 5.512 4.409 1.00 0.00 N ATOM 0 H LYS A 31 3.088 3.043 -0.342 1.00 0.00 H new ATOM 0 HA LYS A 31 4.631 1.117 0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.268 3.451 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.607 2.217 2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.724 1.691 3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.606 2.367 2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.544 4.658 2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.173 3.851 4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.483 3.477 4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.988 3.758 3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.477 5.655 4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.330 6.081 3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.840 5.808 5.158 1.00 0.00 H new ATOM 402 N VAL A 32 1.502 0.262 0.634 1.00 0.00 N ATOM 403 CA VAL A 32 0.578 -0.852 0.762 1.00 0.00 C ATOM 404 C VAL A 32 0.843 -1.861 -0.357 1.00 0.00 C ATOM 405 O VAL A 32 0.920 -3.063 -0.108 1.00 0.00 O ATOM 406 CB VAL A 32 -0.863 -0.337 0.774 1.00 0.00 C ATOM 407 CG1 VAL A 32 -0.936 1.075 1.359 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.473 -0.383 -0.628 1.00 0.00 C ATOM 0 H VAL A 32 1.123 1.078 0.153 1.00 0.00 H new ATOM 0 HA VAL A 32 0.733 -1.370 1.709 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.449 -0.995 1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.971 1.417 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.560 1.065 2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.329 1.750 0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.497 -0.012 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.885 0.240 -1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.472 -1.411 -0.992 1.00 0.00 H new ATOM 418 N GLU A 33 0.976 -1.334 -1.566 1.00 0.00 N ATOM 419 CA GLU A 33 1.231 -2.174 -2.724 1.00 0.00 C ATOM 420 C GLU A 33 2.416 -3.104 -2.454 1.00 0.00 C ATOM 421 O GLU A 33 2.436 -4.241 -2.924 1.00 0.00 O ATOM 422 CB GLU A 33 1.473 -1.325 -3.973 1.00 0.00 C ATOM 423 CG GLU A 33 0.302 -0.373 -4.225 1.00 0.00 C ATOM 424 CD GLU A 33 0.104 -0.132 -5.723 1.00 0.00 C ATOM 425 OE1 GLU A 33 1.113 0.198 -6.383 1.00 0.00 O ATOM 426 OE2 GLU A 33 -1.052 -0.282 -6.174 1.00 0.00 O ATOM 0 H GLU A 33 0.912 -0.336 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 33 0.348 -2.787 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.393 -0.752 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.611 -1.975 -4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.609 -0.790 -3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.485 0.576 -3.721 1.00 0.00 H new ATOM 433 N ALA A 34 3.374 -2.586 -1.700 1.00 0.00 N ATOM 434 CA ALA A 34 4.559 -3.356 -1.363 1.00 0.00 C ATOM 435 C ALA A 34 4.151 -4.579 -0.539 1.00 0.00 C ATOM 436 O ALA A 34 4.712 -5.660 -0.707 1.00 0.00 O ATOM 437 CB ALA A 34 5.556 -2.461 -0.622 1.00 0.00 C ATOM 0 H ALA A 34 3.354 -1.643 -1.313 1.00 0.00 H new ATOM 0 HA ALA A 34 5.052 -3.716 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.445 -3.039 -0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.837 -1.623 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.097 -2.083 0.291 1.00 0.00 H new ATOM 443 N ILE A 35 3.177 -4.366 0.333 1.00 0.00 N ATOM 444 CA ILE A 35 2.686 -5.438 1.183 1.00 0.00 C ATOM 445 C ILE A 35 1.759 -6.344 0.371 1.00 0.00 C ATOM 446 O ILE A 35 1.907 -7.565 0.387 1.00 0.00 O ATOM 447 CB ILE A 35 2.037 -4.867 2.445 1.00 0.00 C ATOM 448 CG1 ILE A 35 2.932 -3.806 3.090 1.00 0.00 C ATOM 449 CG2 ILE A 35 1.672 -5.982 3.427 1.00 0.00 C ATOM 450 CD1 ILE A 35 2.114 -2.865 3.977 1.00 0.00 C ATOM 0 H ILE A 35 2.714 -3.467 0.470 1.00 0.00 H new ATOM 0 HA ILE A 35 3.513 -6.057 1.530 1.00 0.00 H new ATOM 0 HB ILE A 35 1.108 -4.374 2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.706 -4.291 3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.439 -3.232 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.212 -5.549 4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.970 -6.668 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.573 -6.525 3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.774 -2.121 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.356 -2.364 3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.628 -3.439 4.766 1.00 0.00 H new ATOM 462 N LEU A 36 0.823 -5.711 -0.321 1.00 0.00 N ATOM 463 CA LEU A 36 -0.129 -6.444 -1.138 1.00 0.00 C ATOM 464 C LEU A 36 0.624 -7.456 -2.005 1.00 0.00 C ATOM 465 O LEU A 36 0.124 -8.550 -2.264 1.00 0.00 O ATOM 466 CB LEU A 36 -1.003 -5.478 -1.939 1.00 0.00 C ATOM 467 CG LEU A 36 -2.207 -4.891 -1.199 1.00 0.00 C ATOM 468 CD1 LEU A 36 -3.289 -5.951 -0.984 1.00 0.00 C ATOM 469 CD2 LEU A 36 -1.775 -4.237 0.116 1.00 0.00 C ATOM 0 H LEU A 36 0.704 -4.698 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.815 -7.010 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.378 -4.655 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.365 -5.997 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.643 -4.109 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.133 -5.507 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.624 -6.330 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.882 -6.772 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.649 -3.827 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.301 -4.982 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.067 -3.435 -0.092 1.00 0.00 H new ATOM 481 N GLU A 37 1.813 -7.054 -2.430 1.00 0.00 N ATOM 482 CA GLU A 37 2.639 -7.912 -3.263 1.00 0.00 C ATOM 483 C GLU A 37 2.977 -9.206 -2.520 1.00 0.00 C ATOM 484 O GLU A 37 2.837 -10.297 -3.071 1.00 0.00 O ATOM 485 CB GLU A 37 3.910 -7.186 -3.706 1.00 0.00 C ATOM 486 CG GLU A 37 5.131 -8.102 -3.599 1.00 0.00 C ATOM 487 CD GLU A 37 6.303 -7.551 -4.413 1.00 0.00 C ATOM 488 OE1 GLU A 37 6.115 -7.382 -5.637 1.00 0.00 O ATOM 489 OE2 GLU A 37 7.362 -7.311 -3.793 1.00 0.00 O ATOM 0 H GLU A 37 2.224 -6.146 -2.213 1.00 0.00 H new ATOM 0 HA GLU A 37 2.075 -8.168 -4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.797 -6.843 -4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.061 -6.300 -3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.425 -8.202 -2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.874 -9.100 -3.955 1.00 0.00 H new ATOM 496 N LYS A 38 3.417 -9.042 -1.281 1.00 0.00 N ATOM 497 CA LYS A 38 3.776 -10.184 -0.457 1.00 0.00 C ATOM 498 C LYS A 38 2.547 -11.073 -0.260 1.00 0.00 C ATOM 499 O LYS A 38 2.660 -12.297 -0.228 1.00 0.00 O ATOM 500 CB LYS A 38 4.415 -9.719 0.853 1.00 0.00 C ATOM 501 CG LYS A 38 5.796 -9.109 0.604 1.00 0.00 C ATOM 502 CD LYS A 38 6.221 -8.218 1.773 1.00 0.00 C ATOM 503 CE LYS A 38 7.505 -8.739 2.422 1.00 0.00 C ATOM 504 NZ LYS A 38 8.693 -8.172 1.747 1.00 0.00 N ATOM 0 H LYS A 38 3.533 -8.136 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 38 4.531 -10.791 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.771 -8.984 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.504 -10.562 1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.528 -9.904 0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.779 -8.524 -0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.376 -7.198 1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.424 -8.181 2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.519 -8.474 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.532 -9.827 2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.556 -8.536 2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.686 -8.446 0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.673 -7.135 1.822 1.00 0.00 H new ATOM 518 N VAL A 39 1.399 -10.422 -0.135 1.00 0.00 N ATOM 519 CA VAL A 39 0.150 -11.138 0.057 1.00 0.00 C ATOM 520 C VAL A 39 -0.050 -12.125 -1.095 1.00 0.00 C ATOM 521 O VAL A 39 -0.618 -13.199 -0.905 1.00 0.00 O ATOM 522 CB VAL A 39 -1.005 -10.146 0.202 1.00 0.00 C ATOM 523 CG1 VAL A 39 -2.339 -10.877 0.367 1.00 0.00 C ATOM 524 CG2 VAL A 39 -0.760 -9.184 1.366 1.00 0.00 C ATOM 0 H VAL A 39 1.308 -9.406 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 39 0.180 -11.718 0.980 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.056 -9.557 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.143 -10.148 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.523 -11.501 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.303 -11.503 1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.596 -8.490 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.668 -9.750 2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.159 -8.626 1.189 1.00 0.00 H new ATOM 534 N GLN A 40 0.428 -11.725 -2.264 1.00 0.00 N ATOM 535 CA GLN A 40 0.309 -12.560 -3.447 1.00 0.00 C ATOM 536 C GLN A 40 0.926 -13.937 -3.189 1.00 0.00 C ATOM 537 O GLN A 40 0.482 -14.935 -3.753 1.00 0.00 O ATOM 538 CB GLN A 40 0.956 -11.889 -4.660 1.00 0.00 C ATOM 539 CG GLN A 40 0.301 -10.537 -4.952 1.00 0.00 C ATOM 540 CD GLN A 40 0.121 -10.328 -6.457 1.00 0.00 C ATOM 541 OE1 GLN A 40 -0.068 -11.261 -7.220 1.00 0.00 O ATOM 542 NE2 GLN A 40 0.191 -9.056 -6.839 1.00 0.00 N ATOM 0 H GLN A 40 0.899 -10.833 -2.417 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.750 -12.693 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.022 -11.749 -4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.864 -12.538 -5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.668 -10.484 -4.455 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.915 -9.735 -4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.352 -8.324 -6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.084 -8.813 -7.824 1.00 0.00 H new ATOM 551 N GLY A 41 1.939 -13.945 -2.335 1.00 0.00 N ATOM 552 CA GLY A 41 2.621 -15.182 -1.995 1.00 0.00 C ATOM 553 C GLY A 41 1.762 -16.046 -1.070 1.00 0.00 C ATOM 554 O GLY A 41 1.896 -17.268 -1.053 1.00 0.00 O ATOM 0 H GLY A 41 2.304 -13.115 -1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.852 -15.736 -2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.570 -14.956 -1.510 1.00 0.00 H new ATOM 558 N LEU A 42 0.897 -15.376 -0.321 1.00 0.00 N ATOM 559 CA LEU A 42 0.016 -16.066 0.605 1.00 0.00 C ATOM 560 C LEU A 42 -1.298 -16.401 -0.103 1.00 0.00 C ATOM 561 O LEU A 42 -1.881 -17.459 0.130 1.00 0.00 O ATOM 562 CB LEU A 42 -0.165 -15.247 1.884 1.00 0.00 C ATOM 563 CG LEU A 42 1.120 -14.856 2.618 1.00 0.00 C ATOM 564 CD1 LEU A 42 1.964 -16.090 2.940 1.00 0.00 C ATOM 565 CD2 LEU A 42 1.908 -13.813 1.824 1.00 0.00 C ATOM 0 H LEU A 42 0.788 -14.362 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 42 0.459 -17.011 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.709 -14.336 1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.793 -15.815 2.570 1.00 0.00 H new ATOM 0 HG LEU A 42 0.846 -14.397 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.871 -15.784 3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.392 -16.767 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.232 -16.599 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.816 -13.552 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.173 -14.222 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.297 -12.920 1.689 1.00 0.00 H new ATOM 577 N GLU A 43 -1.728 -15.479 -0.952 1.00 0.00 N ATOM 578 CA GLU A 43 -2.963 -15.663 -1.695 1.00 0.00 C ATOM 579 C GLU A 43 -2.772 -16.714 -2.790 1.00 0.00 C ATOM 580 O GLU A 43 -3.637 -17.564 -2.998 1.00 0.00 O ATOM 581 CB GLU A 43 -3.451 -14.339 -2.285 1.00 0.00 C ATOM 582 CG GLU A 43 -4.542 -14.573 -3.332 1.00 0.00 C ATOM 583 CD GLU A 43 -4.091 -14.087 -4.711 1.00 0.00 C ATOM 584 OE1 GLU A 43 -2.921 -14.359 -5.054 1.00 0.00 O ATOM 585 OE2 GLU A 43 -4.928 -13.454 -5.390 1.00 0.00 O ATOM 0 H GLU A 43 -1.243 -14.602 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.729 -16.019 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.837 -13.702 -1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.614 -13.809 -2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.785 -15.635 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.452 -14.050 -3.038 1.00 0.00 H new ATOM 592 N GLN A 44 -1.634 -16.622 -3.463 1.00 0.00 N ATOM 593 CA GLN A 44 -1.319 -17.554 -4.532 1.00 0.00 C ATOM 594 C GLN A 44 -1.178 -18.972 -3.975 1.00 0.00 C ATOM 595 O GLN A 44 -1.487 -19.945 -4.661 1.00 0.00 O ATOM 596 CB GLN A 44 -0.051 -17.128 -5.274 1.00 0.00 C ATOM 597 CG GLN A 44 -0.292 -15.852 -6.084 1.00 0.00 C ATOM 598 CD GLN A 44 -0.897 -16.176 -7.451 1.00 0.00 C ATOM 599 OE1 GLN A 44 -2.077 -16.456 -7.585 1.00 0.00 O ATOM 600 NE2 GLN A 44 -0.027 -16.123 -8.455 1.00 0.00 N ATOM 0 H GLN A 44 -0.919 -15.916 -3.288 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.140 -17.546 -5.249 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.755 -16.962 -4.559 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.272 -17.929 -5.939 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.960 -15.189 -5.535 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.649 -15.318 -6.216 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.947 -15.882 -8.273 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.334 -16.323 -9.407 1.00 0.00 H new ATOM 609 N ALA A 45 -0.711 -19.044 -2.737 1.00 0.00 N ATOM 610 CA ALA A 45 -0.525 -20.327 -2.081 1.00 0.00 C ATOM 611 C ALA A 45 -1.889 -20.890 -1.676 1.00 0.00 C ATOM 612 O ALA A 45 -2.132 -22.089 -1.802 1.00 0.00 O ATOM 613 CB ALA A 45 0.414 -20.157 -0.885 1.00 0.00 C ATOM 0 H ALA A 45 -0.456 -18.235 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.062 -21.042 -2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.554 -21.119 -0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.378 -19.782 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.020 -19.448 -0.180 1.00 0.00 H new ATOM 619 N VAL A 46 -2.744 -19.997 -1.198 1.00 0.00 N ATOM 620 CA VAL A 46 -4.077 -20.390 -0.774 1.00 0.00 C ATOM 621 C VAL A 46 -4.808 -21.046 -1.947 1.00 0.00 C ATOM 622 O VAL A 46 -5.139 -22.229 -1.894 1.00 0.00 O ATOM 623 CB VAL A 46 -4.822 -19.181 -0.205 1.00 0.00 C ATOM 624 CG1 VAL A 46 -6.336 -19.399 -0.251 1.00 0.00 C ATOM 625 CG2 VAL A 46 -4.356 -18.869 1.218 1.00 0.00 C ATOM 0 H VAL A 46 -2.539 -19.003 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.022 -21.127 0.027 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.588 -18.319 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.842 -18.525 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.651 -19.549 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.595 -20.278 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.902 -18.005 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.545 -19.729 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.288 -18.650 1.211 1.00 0.00 H new ATOM 635 N ASP A 47 -5.038 -20.248 -2.980 1.00 0.00 N ATOM 636 CA ASP A 47 -5.724 -20.736 -4.164 1.00 0.00 C ATOM 637 C ASP A 47 -5.165 -22.109 -4.542 1.00 0.00 C ATOM 638 O ASP A 47 -5.863 -22.923 -5.146 1.00 0.00 O ATOM 639 CB ASP A 47 -5.510 -19.795 -5.352 1.00 0.00 C ATOM 640 CG ASP A 47 -6.644 -19.782 -6.379 1.00 0.00 C ATOM 641 OD1 ASP A 47 -7.760 -19.377 -5.987 1.00 0.00 O ATOM 642 OD2 ASP A 47 -6.369 -20.177 -7.532 1.00 0.00 O ATOM 0 H ASP A 47 -4.761 -19.267 -3.021 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.789 -20.794 -3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.371 -18.782 -4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.586 -20.076 -5.857 1.00 0.00 H new ATOM 647 N SER A 48 -3.911 -22.325 -4.172 1.00 0.00 N ATOM 648 CA SER A 48 -3.251 -23.585 -4.465 1.00 0.00 C ATOM 649 C SER A 48 -2.704 -24.202 -3.176 1.00 0.00 C ATOM 650 O SER A 48 -1.558 -24.646 -3.133 1.00 0.00 O ATOM 651 CB SER A 48 -2.123 -23.393 -5.481 1.00 0.00 C ATOM 652 OG SER A 48 -1.557 -24.634 -5.892 1.00 0.00 O ATOM 0 H SER A 48 -3.335 -21.648 -3.672 1.00 0.00 H new ATOM 0 HA SER A 48 -3.986 -24.262 -4.901 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.507 -22.863 -6.353 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.345 -22.767 -5.045 1.00 0.00 H new ATOM 0 HG SER A 48 -1.215 -25.113 -5.108 1.00 0.00 H new ATOM 658 N PHE A 49 -3.551 -24.209 -2.157 1.00 0.00 N ATOM 659 CA PHE A 49 -3.167 -24.764 -0.870 1.00 0.00 C ATOM 660 C PHE A 49 -4.033 -25.974 -0.514 1.00 0.00 C ATOM 661 O PHE A 49 -5.073 -26.200 -1.131 1.00 0.00 O ATOM 662 CB PHE A 49 -3.390 -23.668 0.174 1.00 0.00 C ATOM 663 CG PHE A 49 -3.562 -24.193 1.601 1.00 0.00 C ATOM 664 CD1 PHE A 49 -4.790 -24.583 2.038 1.00 0.00 C ATOM 665 CD2 PHE A 49 -2.488 -24.270 2.432 1.00 0.00 C ATOM 666 CE1 PHE A 49 -4.950 -25.071 3.363 1.00 0.00 C ATOM 667 CE2 PHE A 49 -2.648 -24.757 3.756 1.00 0.00 C ATOM 668 CZ PHE A 49 -3.876 -25.147 4.193 1.00 0.00 C ATOM 0 H PHE A 49 -4.501 -23.840 -2.196 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.128 -25.091 -0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.544 -22.981 0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.275 -23.094 -0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.643 -24.522 1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.513 -23.961 2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.924 -25.381 3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.795 -24.818 4.416 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.998 -25.517 5.200 1.00 0.00 H new ATOM 678 N GLU A 50 -3.572 -26.721 0.479 1.00 0.00 N ATOM 679 CA GLU A 50 -4.291 -27.902 0.923 1.00 0.00 C ATOM 680 C GLU A 50 -3.854 -28.289 2.338 1.00 0.00 C ATOM 681 O GLU A 50 -2.661 -28.314 2.637 1.00 0.00 O ATOM 682 CB GLU A 50 -4.091 -29.065 -0.050 1.00 0.00 C ATOM 683 CG GLU A 50 -5.274 -30.034 0.002 1.00 0.00 C ATOM 684 CD GLU A 50 -4.807 -31.479 -0.184 1.00 0.00 C ATOM 685 OE1 GLU A 50 -4.194 -32.005 0.770 1.00 0.00 O ATOM 686 OE2 GLU A 50 -5.074 -32.026 -1.276 1.00 0.00 O ATOM 0 H GLU A 50 -2.709 -26.531 0.988 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.355 -27.668 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.976 -28.680 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.171 -29.595 0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.789 -29.934 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.993 -29.777 -0.776 1.00 0.00 H new ATOM 693 N GLY A 51 -4.843 -28.580 3.170 1.00 0.00 N ATOM 694 CA GLY A 51 -4.575 -28.964 4.545 1.00 0.00 C ATOM 695 C GLY A 51 -5.813 -28.765 5.421 1.00 0.00 C ATOM 696 O GLY A 51 -6.911 -29.184 5.055 1.00 0.00 O ATOM 0 H GLY A 51 -5.831 -28.558 2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.264 -30.008 4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.748 -28.372 4.937 1.00 0.00 H new ATOM 700 N LYS A 52 -5.596 -28.126 6.561 1.00 0.00 N ATOM 701 CA LYS A 52 -6.681 -27.867 7.492 1.00 0.00 C ATOM 702 C LYS A 52 -6.332 -26.646 8.347 1.00 0.00 C ATOM 703 O LYS A 52 -5.353 -25.954 8.076 1.00 0.00 O ATOM 704 CB LYS A 52 -6.996 -29.120 8.311 1.00 0.00 C ATOM 705 CG LYS A 52 -5.738 -29.963 8.529 1.00 0.00 C ATOM 706 CD LYS A 52 -5.697 -31.149 7.563 1.00 0.00 C ATOM 707 CE LYS A 52 -5.894 -32.470 8.308 1.00 0.00 C ATOM 708 NZ LYS A 52 -4.698 -32.792 9.118 1.00 0.00 N ATOM 0 H LYS A 52 -4.685 -27.780 6.861 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.597 -27.629 6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.417 -28.833 9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.752 -29.714 7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.852 -29.344 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.713 -30.326 9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.474 -31.034 6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.742 -31.162 7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.770 -32.403 8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.084 -33.272 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.726 -33.794 9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.841 -32.612 8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.686 -32.197 9.971 1.00 0.00 H new ATOM 722 N LYS A 53 -7.154 -26.420 9.361 1.00 0.00 N ATOM 723 CA LYS A 53 -6.946 -25.295 10.257 1.00 0.00 C ATOM 724 C LYS A 53 -6.024 -25.724 11.400 1.00 0.00 C ATOM 725 O LYS A 53 -5.794 -24.960 12.337 1.00 0.00 O ATOM 726 CB LYS A 53 -8.287 -24.729 10.727 1.00 0.00 C ATOM 727 CG LYS A 53 -8.854 -23.742 9.705 1.00 0.00 C ATOM 728 CD LYS A 53 -10.033 -22.962 10.291 1.00 0.00 C ATOM 729 CE LYS A 53 -11.323 -23.260 9.524 1.00 0.00 C ATOM 730 NZ LYS A 53 -12.190 -24.173 10.303 1.00 0.00 N ATOM 0 H LYS A 53 -7.966 -26.997 9.582 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.448 -24.478 9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.995 -25.543 10.883 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.159 -24.230 11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.074 -23.048 9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.177 -24.281 8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.161 -23.224 11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.822 -21.893 10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.854 -22.331 9.319 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.084 -23.710 8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.061 -24.365 9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.686 -25.066 10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.432 -23.730 11.212 1.00 0.00 H new ATOM 744 N THR A 54 -5.521 -26.944 11.287 1.00 0.00 N ATOM 745 CA THR A 54 -4.629 -27.483 12.300 1.00 0.00 C ATOM 746 C THR A 54 -3.232 -27.703 11.717 1.00 0.00 C ATOM 747 O THR A 54 -2.236 -27.612 12.433 1.00 0.00 O ATOM 748 CB THR A 54 -5.263 -28.760 12.856 1.00 0.00 C ATOM 749 OG1 THR A 54 -5.432 -29.591 11.712 1.00 0.00 O ATOM 750 CG2 THR A 54 -6.688 -28.532 13.365 1.00 0.00 C ATOM 0 H THR A 54 -5.714 -27.575 10.509 1.00 0.00 H new ATOM 0 HA THR A 54 -4.497 -26.782 13.124 1.00 0.00 H new ATOM 0 HB THR A 54 -4.646 -29.148 13.666 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.836 -30.442 11.983 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.092 -29.469 13.749 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.675 -27.789 14.162 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.314 -28.175 12.547 1.00 0.00 H new ATOM 758 N ASP A 55 -3.203 -27.989 10.424 1.00 0.00 N ATOM 759 CA ASP A 55 -1.944 -28.223 9.737 1.00 0.00 C ATOM 760 C ASP A 55 -1.002 -27.044 9.993 1.00 0.00 C ATOM 761 O ASP A 55 -1.451 -25.941 10.300 1.00 0.00 O ATOM 762 CB ASP A 55 -2.154 -28.340 8.226 1.00 0.00 C ATOM 763 CG ASP A 55 -1.652 -29.644 7.603 1.00 0.00 C ATOM 764 OD1 ASP A 55 -1.199 -30.509 8.384 1.00 0.00 O ATOM 765 OD2 ASP A 55 -1.733 -29.748 6.360 1.00 0.00 O ATOM 0 H ASP A 55 -4.031 -28.064 9.834 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.521 -29.154 10.115 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.218 -28.239 8.013 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.651 -27.505 7.739 1.00 0.00 H new ATOM 770 N LYS A 56 0.288 -27.318 9.858 1.00 0.00 N ATOM 771 CA LYS A 56 1.297 -26.295 10.071 1.00 0.00 C ATOM 772 C LYS A 56 1.404 -25.423 8.818 1.00 0.00 C ATOM 773 O LYS A 56 1.680 -24.228 8.911 1.00 0.00 O ATOM 774 CB LYS A 56 2.623 -26.930 10.494 1.00 0.00 C ATOM 775 CG LYS A 56 3.764 -25.913 10.423 1.00 0.00 C ATOM 776 CD LYS A 56 3.622 -24.852 11.516 1.00 0.00 C ATOM 777 CE LYS A 56 4.542 -25.157 12.700 1.00 0.00 C ATOM 778 NZ LYS A 56 3.868 -24.832 13.977 1.00 0.00 N ATOM 0 H LYS A 56 0.657 -28.234 9.604 1.00 0.00 H new ATOM 0 HA LYS A 56 1.008 -25.640 10.893 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.538 -27.316 11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.847 -27.779 9.848 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.720 -26.426 10.531 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.768 -25.433 9.444 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.862 -23.870 11.108 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.587 -24.811 11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.823 -26.210 12.688 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.463 -24.580 12.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.506 -25.045 14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.622 -23.822 13.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.002 -25.401 14.067 1.00 0.00 H new ATOM 792 N LYS A 57 1.181 -26.055 7.675 1.00 0.00 N ATOM 793 CA LYS A 57 1.250 -25.351 6.405 1.00 0.00 C ATOM 794 C LYS A 57 0.257 -24.188 6.418 1.00 0.00 C ATOM 795 O LYS A 57 0.564 -23.100 5.933 1.00 0.00 O ATOM 796 CB LYS A 57 1.043 -26.324 5.243 1.00 0.00 C ATOM 797 CG LYS A 57 0.887 -25.571 3.920 1.00 0.00 C ATOM 798 CD LYS A 57 2.052 -25.874 2.975 1.00 0.00 C ATOM 799 CE LYS A 57 3.318 -25.133 3.411 1.00 0.00 C ATOM 800 NZ LYS A 57 3.938 -24.444 2.257 1.00 0.00 N ATOM 0 H LYS A 57 0.952 -27.046 7.601 1.00 0.00 H new ATOM 0 HA LYS A 57 2.241 -24.922 6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.891 -27.006 5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.157 -26.932 5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.053 -25.853 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.839 -24.499 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.242 -26.947 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.787 -25.581 1.959 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.073 -24.407 4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.027 -25.837 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.823 -23.988 2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.143 -25.136 1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.284 -23.722 1.891 1.00 0.00 H new ATOM 814 N TYR A 58 -0.914 -24.456 6.977 1.00 0.00 N ATOM 815 CA TYR A 58 -1.954 -23.445 7.059 1.00 0.00 C ATOM 816 C TYR A 58 -1.517 -22.280 7.949 1.00 0.00 C ATOM 817 O TYR A 58 -1.732 -21.118 7.607 1.00 0.00 O ATOM 818 CB TYR A 58 -3.163 -24.133 7.696 1.00 0.00 C ATOM 819 CG TYR A 58 -4.341 -23.196 7.967 1.00 0.00 C ATOM 820 CD1 TYR A 58 -4.992 -22.584 6.916 1.00 0.00 C ATOM 821 CD2 TYR A 58 -4.754 -22.963 9.264 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.101 -21.702 7.171 1.00 0.00 C ATOM 823 CE2 TYR A 58 -5.863 -22.081 9.519 1.00 0.00 C ATOM 824 CZ TYR A 58 -6.482 -21.494 8.460 1.00 0.00 C ATOM 825 OH TYR A 58 -7.529 -20.661 8.701 1.00 0.00 O ATOM 0 H TYR A 58 -1.166 -25.360 7.378 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.176 -23.042 6.071 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.496 -24.939 7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.854 -24.592 8.635 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.670 -22.767 5.902 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.245 -23.442 10.087 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.619 -21.216 6.357 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.196 -21.890 10.529 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.197 -19.749 8.837 1.00 0.00 H new ATOM 835 N LEU A 59 -0.912 -22.632 9.074 1.00 0.00 N ATOM 836 CA LEU A 59 -0.443 -21.630 10.016 1.00 0.00 C ATOM 837 C LEU A 59 0.565 -20.713 9.320 1.00 0.00 C ATOM 838 O LEU A 59 0.616 -19.516 9.599 1.00 0.00 O ATOM 839 CB LEU A 59 0.104 -22.297 11.280 1.00 0.00 C ATOM 840 CG LEU A 59 -0.839 -23.275 11.984 1.00 0.00 C ATOM 841 CD1 LEU A 59 -0.077 -24.150 12.981 1.00 0.00 C ATOM 842 CD2 LEU A 59 -2.004 -22.535 12.644 1.00 0.00 C ATOM 0 H LEU A 59 -0.736 -23.597 9.354 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.270 -21.002 10.347 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.019 -22.829 11.019 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.380 -21.516 11.988 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.265 -23.940 11.232 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.771 -24.836 13.467 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.688 -24.720 12.454 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.395 -23.518 13.733 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.659 -23.253 13.137 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.617 -21.831 13.381 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.567 -21.992 11.885 1.00 0.00 H new ATOM 854 N MET A 60 1.340 -21.309 8.426 1.00 0.00 N ATOM 855 CA MET A 60 2.343 -20.561 7.688 1.00 0.00 C ATOM 856 C MET A 60 1.702 -19.422 6.892 1.00 0.00 C ATOM 857 O MET A 60 2.142 -18.277 6.978 1.00 0.00 O ATOM 858 CB MET A 60 3.079 -21.501 6.731 1.00 0.00 C ATOM 859 CG MET A 60 4.522 -21.729 7.187 1.00 0.00 C ATOM 860 SD MET A 60 5.253 -23.066 6.258 1.00 0.00 S ATOM 861 CE MET A 60 5.293 -22.327 4.633 1.00 0.00 C ATOM 0 H MET A 60 1.293 -22.302 8.196 1.00 0.00 H new ATOM 0 HA MET A 60 3.046 -20.130 8.401 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.555 -22.456 6.679 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.074 -21.079 5.726 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.104 -20.818 7.048 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.543 -21.961 8.252 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.993 -22.874 4.002 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.298 -22.367 4.191 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.613 -21.288 4.714 1.00 0.00 H new ATOM 871 N ILE A 61 0.673 -19.777 6.137 1.00 0.00 N ATOM 872 CA ILE A 61 -0.033 -18.798 5.327 1.00 0.00 C ATOM 873 C ILE A 61 -0.863 -17.892 6.238 1.00 0.00 C ATOM 874 O ILE A 61 -0.991 -16.696 5.981 1.00 0.00 O ATOM 875 CB ILE A 61 -0.853 -19.495 4.239 1.00 0.00 C ATOM 876 CG1 ILE A 61 0.031 -20.408 3.387 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.613 -18.476 3.389 1.00 0.00 C ATOM 878 CD1 ILE A 61 -0.758 -21.617 2.881 1.00 0.00 C ATOM 0 H ILE A 61 0.311 -20.728 6.069 1.00 0.00 H new ATOM 0 HA ILE A 61 0.674 -18.158 4.800 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.596 -20.128 4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.429 -19.848 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.884 -20.746 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.188 -18.997 2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.290 -17.905 4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.904 -17.799 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.107 -22.250 2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.134 -22.188 3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.596 -21.276 2.274 1.00 0.00 H new ATOM 890 N GLU A 62 -1.408 -18.497 7.284 1.00 0.00 N ATOM 891 CA GLU A 62 -2.223 -17.760 8.235 1.00 0.00 C ATOM 892 C GLU A 62 -1.376 -16.710 8.957 1.00 0.00 C ATOM 893 O GLU A 62 -1.756 -15.542 9.027 1.00 0.00 O ATOM 894 CB GLU A 62 -2.892 -18.707 9.233 1.00 0.00 C ATOM 895 CG GLU A 62 -3.998 -17.990 10.011 1.00 0.00 C ATOM 896 CD GLU A 62 -5.293 -18.805 9.997 1.00 0.00 C ATOM 897 OE1 GLU A 62 -5.298 -19.874 10.643 1.00 0.00 O ATOM 898 OE2 GLU A 62 -6.249 -18.339 9.339 1.00 0.00 O ATOM 0 H GLU A 62 -1.301 -19.489 7.494 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.013 -17.247 7.687 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.311 -19.563 8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.147 -19.095 9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.677 -17.827 11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.177 -17.008 9.574 1.00 0.00 H new ATOM 905 N GLU A 63 -0.245 -17.164 9.477 1.00 0.00 N ATOM 906 CA GLU A 63 0.658 -16.278 10.191 1.00 0.00 C ATOM 907 C GLU A 63 1.166 -15.174 9.261 1.00 0.00 C ATOM 908 O GLU A 63 1.207 -14.006 9.643 1.00 0.00 O ATOM 909 CB GLU A 63 1.823 -17.059 10.802 1.00 0.00 C ATOM 910 CG GLU A 63 3.040 -17.044 9.875 1.00 0.00 C ATOM 911 CD GLU A 63 4.196 -17.848 10.474 1.00 0.00 C ATOM 912 OE1 GLU A 63 4.331 -17.808 11.716 1.00 0.00 O ATOM 913 OE2 GLU A 63 4.918 -18.484 9.676 1.00 0.00 O ATOM 0 H GLU A 63 0.066 -18.134 9.418 1.00 0.00 H new ATOM 0 HA GLU A 63 0.107 -15.812 11.008 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.090 -16.625 11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.517 -18.088 10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.768 -17.460 8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.358 -16.016 9.703 1.00 0.00 H new ATOM 920 N TYR A 64 1.541 -15.585 8.058 1.00 0.00 N ATOM 921 CA TYR A 64 2.045 -14.646 7.070 1.00 0.00 C ATOM 922 C TYR A 64 0.998 -13.579 6.744 1.00 0.00 C ATOM 923 O TYR A 64 1.195 -12.401 7.037 1.00 0.00 O ATOM 924 CB TYR A 64 2.327 -15.468 5.812 1.00 0.00 C ATOM 925 CG TYR A 64 3.715 -16.112 5.787 1.00 0.00 C ATOM 926 CD1 TYR A 64 4.813 -15.401 6.227 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.868 -17.403 5.326 1.00 0.00 C ATOM 928 CE1 TYR A 64 6.119 -16.007 6.204 1.00 0.00 C ATOM 929 CE2 TYR A 64 5.175 -18.009 5.303 1.00 0.00 C ATOM 930 CZ TYR A 64 6.236 -17.281 5.743 1.00 0.00 C ATOM 931 OH TYR A 64 7.469 -17.854 5.722 1.00 0.00 O ATOM 0 H TYR A 64 1.506 -16.555 7.745 1.00 0.00 H new ATOM 0 HA TYR A 64 2.933 -14.136 7.443 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.573 -16.250 5.725 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.221 -14.825 4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.693 -14.390 6.588 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.008 -17.959 4.982 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.987 -15.462 6.545 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.309 -19.019 4.944 1.00 0.00 H new ATOM 0 HH TYR A 64 7.400 -18.766 5.369 1.00 0.00 H new ATOM 941 N LEU A 65 -0.093 -14.031 6.142 1.00 0.00 N ATOM 942 CA LEU A 65 -1.171 -13.130 5.773 1.00 0.00 C ATOM 943 C LEU A 65 -1.280 -12.016 6.816 1.00 0.00 C ATOM 944 O LEU A 65 -1.203 -10.836 6.480 1.00 0.00 O ATOM 945 CB LEU A 65 -2.472 -13.908 5.566 1.00 0.00 C ATOM 946 CG LEU A 65 -2.496 -14.871 4.377 1.00 0.00 C ATOM 947 CD1 LEU A 65 -3.570 -15.944 4.563 1.00 0.00 C ATOM 948 CD2 LEU A 65 -2.667 -14.112 3.060 1.00 0.00 C ATOM 0 H LEU A 65 -0.253 -15.009 5.901 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.957 -12.652 4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.680 -14.476 6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.285 -13.192 5.445 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.534 -15.382 4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.566 -16.615 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.363 -16.513 5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.548 -15.469 4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.681 -14.820 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.605 -13.557 3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.837 -13.417 2.930 1.00 0.00 H new ATOM 960 N THR A 66 -1.457 -12.432 8.062 1.00 0.00 N ATOM 961 CA THR A 66 -1.577 -11.484 9.157 1.00 0.00 C ATOM 962 C THR A 66 -0.346 -10.578 9.216 1.00 0.00 C ATOM 963 O THR A 66 -0.471 -9.358 9.305 1.00 0.00 O ATOM 964 CB THR A 66 -1.811 -12.276 10.444 1.00 0.00 C ATOM 965 OG1 THR A 66 -3.185 -12.649 10.378 1.00 0.00 O ATOM 966 CG2 THR A 66 -1.724 -11.400 11.695 1.00 0.00 C ATOM 0 H THR A 66 -1.520 -13.412 8.337 1.00 0.00 H new ATOM 0 HA THR A 66 -2.426 -10.816 9.010 1.00 0.00 H new ATOM 0 HB THR A 66 -1.079 -13.081 10.512 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.422 -13.169 11.175 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.898 -12.012 12.580 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.734 -10.948 11.755 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.478 -10.615 11.643 1.00 0.00 H new ATOM 974 N LYS A 67 0.817 -11.211 9.164 1.00 0.00 N ATOM 975 CA LYS A 67 2.071 -10.478 9.210 1.00 0.00 C ATOM 976 C LYS A 67 2.011 -9.311 8.222 1.00 0.00 C ATOM 977 O LYS A 67 2.579 -8.250 8.475 1.00 0.00 O ATOM 978 CB LYS A 67 3.252 -11.422 8.977 1.00 0.00 C ATOM 979 CG LYS A 67 3.742 -12.024 10.295 1.00 0.00 C ATOM 980 CD LYS A 67 4.526 -13.315 10.051 1.00 0.00 C ATOM 981 CE LYS A 67 4.805 -14.045 11.366 1.00 0.00 C ATOM 982 NZ LYS A 67 6.106 -13.619 11.928 1.00 0.00 N ATOM 0 H LYS A 67 0.917 -12.223 9.090 1.00 0.00 H new ATOM 0 HA LYS A 67 2.226 -10.050 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.955 -12.220 8.297 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.066 -10.880 8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.374 -11.304 10.815 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.891 -12.229 10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.963 -13.966 9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.467 -13.084 9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.008 -13.838 12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.810 -15.122 11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.281 -14.124 12.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.865 -13.839 11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.088 -12.595 12.107 1.00 0.00 H new ATOM 996 N GLU A 68 1.318 -9.547 7.118 1.00 0.00 N ATOM 997 CA GLU A 68 1.177 -8.529 6.091 1.00 0.00 C ATOM 998 C GLU A 68 0.194 -7.448 6.547 1.00 0.00 C ATOM 999 O GLU A 68 0.348 -6.278 6.200 1.00 0.00 O ATOM 1000 CB GLU A 68 0.735 -9.147 4.763 1.00 0.00 C ATOM 1001 CG GLU A 68 1.487 -10.451 4.488 1.00 0.00 C ATOM 1002 CD GLU A 68 1.064 -11.056 3.148 1.00 0.00 C ATOM 1003 OE1 GLU A 68 -0.060 -11.600 3.101 1.00 0.00 O ATOM 1004 OE2 GLU A 68 1.874 -10.961 2.201 1.00 0.00 O ATOM 0 H GLU A 68 0.848 -10.429 6.912 1.00 0.00 H new ATOM 0 HA GLU A 68 2.150 -8.064 5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.338 -9.340 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.914 -8.441 3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.560 -10.262 4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.293 -11.163 5.290 1.00 0.00 H new ATOM 1011 N LEU A 69 -0.794 -7.879 7.317 1.00 0.00 N ATOM 1012 CA LEU A 69 -1.802 -6.963 7.823 1.00 0.00 C ATOM 1013 C LEU A 69 -1.122 -5.870 8.650 1.00 0.00 C ATOM 1014 O LEU A 69 -1.287 -4.683 8.371 1.00 0.00 O ATOM 1015 CB LEU A 69 -2.885 -7.727 8.587 1.00 0.00 C ATOM 1016 CG LEU A 69 -4.297 -7.653 8.003 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.623 -8.911 7.195 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -5.332 -7.392 9.100 1.00 0.00 C ATOM 0 H LEU A 69 -0.918 -8.850 7.603 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.315 -6.468 6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.591 -8.775 8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.916 -7.349 9.609 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.338 -6.809 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.632 -8.833 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.911 -9.012 6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.558 -9.786 7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.327 -7.344 8.657 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.299 -8.200 9.831 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.108 -6.446 9.594 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.371 -6.309 9.649 1.00 0.00 N ATOM 1031 CA LEU A 70 0.334 -5.382 10.518 1.00 0.00 C ATOM 1032 C LEU A 70 1.139 -4.401 9.663 1.00 0.00 C ATOM 1033 O LEU A 70 1.307 -3.241 10.036 1.00 0.00 O ATOM 1034 CB LEU A 70 1.180 -6.144 11.540 1.00 0.00 C ATOM 1035 CG LEU A 70 0.410 -7.029 12.522 1.00 0.00 C ATOM 1036 CD1 LEU A 70 1.138 -8.355 12.752 1.00 0.00 C ATOM 1037 CD2 LEU A 70 0.141 -6.287 13.833 1.00 0.00 C ATOM 0 H LEU A 70 -0.235 -7.294 9.876 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.374 -4.792 11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.891 -6.769 11.000 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.761 -5.421 12.112 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.559 -7.266 12.082 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.570 -8.965 13.454 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.235 -8.886 11.805 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.129 -8.160 13.161 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.408 -6.938 14.514 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.088 -6.000 14.290 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.450 -5.393 13.631 1.00 0.00 H new ATOM 1049 N ALA A 71 1.614 -4.902 8.533 1.00 0.00 N ATOM 1050 CA ALA A 71 2.397 -4.084 7.622 1.00 0.00 C ATOM 1051 C ALA A 71 1.489 -3.036 6.976 1.00 0.00 C ATOM 1052 O ALA A 71 1.947 -1.957 6.604 1.00 0.00 O ATOM 1053 CB ALA A 71 3.080 -4.981 6.588 1.00 0.00 C ATOM 0 H ALA A 71 1.472 -5.865 8.227 1.00 0.00 H new ATOM 0 HA ALA A 71 3.182 -3.553 8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.667 -4.367 5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.736 -5.688 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.324 -5.528 6.025 1.00 0.00 H new ATOM 1059 N LEU A 72 0.217 -3.391 6.862 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.759 -2.494 6.268 1.00 0.00 C ATOM 1061 C LEU A 72 -1.219 -1.479 7.316 1.00 0.00 C ATOM 1062 O LEU A 72 -1.583 -0.354 6.978 1.00 0.00 O ATOM 1063 CB LEU A 72 -1.905 -3.291 5.640 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.603 -3.953 4.294 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.529 -5.146 4.049 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -1.668 -2.934 3.154 1.00 0.00 C ATOM 0 H LEU A 72 -0.160 -4.287 7.171 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.309 -1.928 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.210 -4.066 6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.757 -2.624 5.511 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.584 -4.337 4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.293 -5.598 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.390 -5.883 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.565 -4.808 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.449 -3.431 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.666 -2.498 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.935 -2.146 3.328 1.00 0.00 H new ATOM 1078 N ASP A 73 -1.187 -1.913 8.568 1.00 0.00 N ATOM 1079 CA ASP A 73 -1.595 -1.056 9.668 1.00 0.00 C ATOM 1080 C ASP A 73 -0.459 -0.088 10.003 1.00 0.00 C ATOM 1081 O ASP A 73 -0.702 1.083 10.291 1.00 0.00 O ATOM 1082 CB ASP A 73 -1.901 -1.878 10.921 1.00 0.00 C ATOM 1083 CG ASP A 73 -3.298 -1.665 11.509 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -4.244 -1.563 10.699 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -3.387 -1.611 12.754 1.00 0.00 O ATOM 0 H ASP A 73 -0.885 -2.847 8.845 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.492 -0.517 9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.781 -2.935 10.682 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.161 -1.638 11.685 1.00 0.00 H new ATOM 1090 N SER A 74 0.757 -0.612 9.953 1.00 0.00 N ATOM 1091 CA SER A 74 1.931 0.192 10.248 1.00 0.00 C ATOM 1092 C SER A 74 1.934 1.452 9.380 1.00 0.00 C ATOM 1093 O SER A 74 2.606 2.430 9.702 1.00 0.00 O ATOM 1094 CB SER A 74 3.216 -0.608 10.026 1.00 0.00 C ATOM 1095 OG SER A 74 4.343 0.012 10.638 1.00 0.00 O ATOM 0 H SER A 74 0.955 -1.583 9.713 1.00 0.00 H new ATOM 0 HA SER A 74 1.892 0.482 11.298 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.092 -1.613 10.429 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.397 -0.714 8.956 1.00 0.00 H new ATOM 0 HG SER A 74 5.143 -0.530 10.475 1.00 0.00 H new ATOM 1101 N VAL A 75 1.174 1.387 8.296 1.00 0.00 N ATOM 1102 CA VAL A 75 1.081 2.511 7.380 1.00 0.00 C ATOM 1103 C VAL A 75 0.225 3.610 8.013 1.00 0.00 C ATOM 1104 O VAL A 75 -0.899 3.356 8.442 1.00 0.00 O ATOM 1105 CB VAL A 75 0.544 2.039 6.027 1.00 0.00 C ATOM 1106 CG1 VAL A 75 0.180 3.229 5.137 1.00 0.00 C ATOM 1107 CG2 VAL A 75 1.547 1.119 5.329 1.00 0.00 C ATOM 0 H VAL A 75 0.618 0.574 8.032 1.00 0.00 H new ATOM 0 HA VAL A 75 2.068 2.935 7.193 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.365 1.466 6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.199 2.866 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.587 3.829 5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.066 3.841 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.140 0.798 4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.481 1.656 5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.735 0.246 5.953 1.00 0.00 H new ATOM 1117 N ASP A 76 0.790 4.808 8.051 1.00 0.00 N ATOM 1118 CA ASP A 76 0.093 5.946 8.624 1.00 0.00 C ATOM 1119 C ASP A 76 -0.285 6.922 7.508 1.00 0.00 C ATOM 1120 O ASP A 76 0.586 7.525 6.884 1.00 0.00 O ATOM 1121 CB ASP A 76 0.982 6.691 9.622 1.00 0.00 C ATOM 1122 CG ASP A 76 0.238 7.345 10.788 1.00 0.00 C ATOM 1123 OD1 ASP A 76 -0.983 7.101 10.890 1.00 0.00 O ATOM 1124 OD2 ASP A 76 0.908 8.075 11.550 1.00 0.00 O ATOM 0 H ASP A 76 1.723 5.015 7.694 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.794 5.574 9.138 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.715 5.992 10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.537 7.462 9.087 1.00 0.00 H new ATOM 1129 N PRO A 77 -1.621 7.050 7.285 1.00 0.00 N ATOM 1130 CA PRO A 77 -2.125 7.942 6.255 1.00 0.00 C ATOM 1131 C PRO A 77 -2.024 9.403 6.697 1.00 0.00 C ATOM 1132 O PRO A 77 -1.818 10.292 5.872 1.00 0.00 O ATOM 1133 CB PRO A 77 -3.557 7.493 6.012 1.00 0.00 C ATOM 1134 CG PRO A 77 -3.950 6.676 7.232 1.00 0.00 C ATOM 1135 CD PRO A 77 -2.682 6.351 8.004 1.00 0.00 C ATOM 0 HA PRO A 77 -1.544 7.892 5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.219 8.350 5.886 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.630 6.897 5.102 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.645 7.235 7.858 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.459 5.760 6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.750 6.690 9.038 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.500 5.277 8.032 1.00 0.00 H new ATOM 1143 N GLU A 78 -2.174 9.606 7.998 1.00 0.00 N ATOM 1144 CA GLU A 78 -2.102 10.944 8.560 1.00 0.00 C ATOM 1145 C GLU A 78 -3.251 11.804 8.031 1.00 0.00 C ATOM 1146 O GLU A 78 -3.257 13.020 8.215 1.00 0.00 O ATOM 1147 CB GLU A 78 -0.749 11.593 8.259 1.00 0.00 C ATOM 1148 CG GLU A 78 0.384 10.854 8.975 1.00 0.00 C ATOM 1149 CD GLU A 78 1.057 11.756 10.012 1.00 0.00 C ATOM 1150 OE1 GLU A 78 0.397 12.032 11.038 1.00 0.00 O ATOM 1151 OE2 GLU A 78 2.215 12.149 9.756 1.00 0.00 O ATOM 0 H GLU A 78 -2.345 8.866 8.679 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.199 10.868 9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.570 11.587 7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.764 12.636 8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.010 9.963 9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.122 10.518 8.246 1.00 0.00 H new ATOM 1158 N GLY A 79 -4.197 11.139 7.385 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.350 11.827 6.829 1.00 0.00 C ATOM 1160 C GLY A 79 -5.199 12.016 5.318 1.00 0.00 C ATOM 1161 O GLY A 79 -5.369 13.122 4.808 1.00 0.00 O ATOM 0 H GLY A 79 -4.189 10.130 7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.255 11.257 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.466 12.798 7.311 1.00 0.00 H new ATOM 1165 N ARG A 80 -4.880 10.920 4.646 1.00 0.00 N ATOM 1166 CA ARG A 80 -4.704 10.952 3.204 1.00 0.00 C ATOM 1167 C ARG A 80 -5.588 9.895 2.538 1.00 0.00 C ATOM 1168 O ARG A 80 -5.251 8.712 2.532 1.00 0.00 O ATOM 1169 CB ARG A 80 -3.245 10.700 2.821 1.00 0.00 C ATOM 1170 CG ARG A 80 -2.394 11.951 3.051 1.00 0.00 C ATOM 1171 CD ARG A 80 -1.066 11.595 3.723 1.00 0.00 C ATOM 1172 NE ARG A 80 0.064 12.086 2.903 1.00 0.00 N ATOM 1173 CZ ARG A 80 1.330 11.671 3.045 1.00 0.00 C ATOM 1174 NH1 ARG A 80 1.636 10.757 3.975 1.00 0.00 N ATOM 1175 NH2 ARG A 80 2.291 12.172 2.256 1.00 0.00 N ATOM 0 H ARG A 80 -4.739 10.005 5.073 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.993 11.944 2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.848 9.873 3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.186 10.403 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.203 12.445 2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.942 12.659 3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.023 12.037 4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.991 10.515 3.850 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.133 12.783 2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.905 10.376 4.576 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.600 10.442 4.082 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.058 12.869 1.548 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.255 11.857 2.363 1.00 0.00 H new ATOM 1189 N ALA A 81 -6.703 10.360 1.993 1.00 0.00 N ATOM 1190 CA ALA A 81 -7.638 9.470 1.326 1.00 0.00 C ATOM 1191 C ALA A 81 -6.858 8.428 0.522 1.00 0.00 C ATOM 1192 O ALA A 81 -7.051 7.227 0.704 1.00 0.00 O ATOM 1193 CB ALA A 81 -8.588 10.290 0.451 1.00 0.00 C ATOM 0 H ALA A 81 -6.980 11.342 2.000 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.246 8.936 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.289 9.622 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.139 10.995 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.013 10.838 -0.296 1.00 0.00 H new ATOM 1199 N ASP A 82 -5.993 8.925 -0.350 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.183 8.052 -1.182 1.00 0.00 C ATOM 1201 C ASP A 82 -4.671 6.882 -0.339 1.00 0.00 C ATOM 1202 O ASP A 82 -5.016 5.730 -0.595 1.00 0.00 O ATOM 1203 CB ASP A 82 -3.971 8.796 -1.744 1.00 0.00 C ATOM 1204 CG ASP A 82 -3.915 8.880 -3.271 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -4.179 7.837 -3.907 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -3.609 9.985 -3.768 1.00 0.00 O ATOM 0 H ASP A 82 -5.836 9.922 -0.498 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.804 7.700 -2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.965 9.808 -1.339 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.065 8.305 -1.389 1.00 0.00 H new ATOM 1211 N VAL A 83 -3.856 7.219 0.650 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.292 6.212 1.532 1.00 0.00 C ATOM 1213 C VAL A 83 -4.425 5.494 2.268 1.00 0.00 C ATOM 1214 O VAL A 83 -4.537 4.271 2.201 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.276 6.854 2.478 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.399 5.791 3.143 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -1.422 7.890 1.745 1.00 0.00 C ATOM 0 H VAL A 83 -3.573 8.176 0.860 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.750 5.461 0.957 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.829 7.371 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.685 6.274 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.026 5.108 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.860 5.233 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.708 8.331 2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.883 7.407 0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.065 8.672 1.341 1.00 0.00 H new ATOM 1227 N ARG A 84 -5.236 6.285 2.955 1.00 0.00 N ATOM 1228 CA ARG A 84 -6.356 5.741 3.703 1.00 0.00 C ATOM 1229 C ARG A 84 -7.084 4.681 2.874 1.00 0.00 C ATOM 1230 O ARG A 84 -7.633 3.727 3.423 1.00 0.00 O ATOM 1231 CB ARG A 84 -7.346 6.841 4.092 1.00 0.00 C ATOM 1232 CG ARG A 84 -6.740 7.777 5.140 1.00 0.00 C ATOM 1233 CD ARG A 84 -7.830 8.583 5.850 1.00 0.00 C ATOM 1234 NE ARG A 84 -8.465 7.759 6.902 1.00 0.00 N ATOM 1235 CZ ARG A 84 -9.265 8.248 7.859 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -9.532 9.561 7.903 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -9.798 7.425 8.773 1.00 0.00 N ATOM 0 H ARG A 84 -5.139 7.299 3.009 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.958 5.288 4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.627 7.413 3.207 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.259 6.392 4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.178 7.195 5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.034 8.456 4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.400 9.482 6.291 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.580 8.909 5.130 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.282 6.756 6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.126 10.188 7.208 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.141 9.933 8.632 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.595 6.426 8.740 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.407 7.798 9.501 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.064 4.883 1.564 1.00 0.00 N ATOM 1252 CA GLN A 85 -7.714 3.956 0.654 1.00 0.00 C ATOM 1253 C GLN A 85 -6.870 2.691 0.491 1.00 0.00 C ATOM 1254 O GLN A 85 -7.256 1.619 0.957 1.00 0.00 O ATOM 1255 CB GLN A 85 -7.981 4.615 -0.701 1.00 0.00 C ATOM 1256 CG GLN A 85 -7.856 3.600 -1.839 1.00 0.00 C ATOM 1257 CD GLN A 85 -6.527 3.766 -2.578 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -5.970 4.847 -2.673 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -6.051 2.637 -3.096 1.00 0.00 N ATOM 0 H GLN A 85 -6.608 5.675 1.112 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.677 3.674 1.081 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.980 5.052 -0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.276 5.431 -0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.930 2.589 -1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.683 3.728 -2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.568 1.765 -2.980 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.169 2.643 -3.609 1.00 0.00 H new ATOM 1268 N ALA A 86 -5.734 2.857 -0.171 1.00 0.00 N ATOM 1269 CA ALA A 86 -4.832 1.741 -0.400 1.00 0.00 C ATOM 1270 C ALA A 86 -4.788 0.861 0.851 1.00 0.00 C ATOM 1271 O ALA A 86 -4.628 -0.355 0.754 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.451 2.272 -0.789 1.00 0.00 C ATOM 0 H ALA A 86 -5.418 3.747 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.187 1.123 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.774 1.435 -0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.533 2.865 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.061 2.895 0.016 1.00 0.00 H new ATOM 1278 N ARG A 87 -4.931 1.510 1.997 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.909 0.802 3.266 1.00 0.00 C ATOM 1280 C ARG A 87 -6.197 -0.005 3.446 1.00 0.00 C ATOM 1281 O ARG A 87 -6.168 -1.235 3.449 1.00 0.00 O ATOM 1282 CB ARG A 87 -4.757 1.774 4.437 1.00 0.00 C ATOM 1283 CG ARG A 87 -3.642 1.324 5.382 1.00 0.00 C ATOM 1284 CD ARG A 87 -3.166 2.482 6.261 1.00 0.00 C ATOM 1285 NE ARG A 87 -3.885 2.464 7.555 1.00 0.00 N ATOM 1286 CZ ARG A 87 -5.094 3.009 7.750 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -5.726 3.617 6.738 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -5.670 2.945 8.959 1.00 0.00 N ATOM 0 H ARG A 87 -5.063 2.519 2.074 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.052 0.128 3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.537 2.773 4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.698 1.840 4.984 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.001 0.509 6.011 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.805 0.935 4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.092 2.403 6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.339 3.430 5.753 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.432 2.009 8.347 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.287 3.665 5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.646 4.032 6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.188 2.482 9.730 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.590 3.359 9.108 1.00 0.00 H new ATOM 1302 N ARG A 88 -7.296 0.720 3.591 1.00 0.00 N ATOM 1303 CA ARG A 88 -8.592 0.088 3.771 1.00 0.00 C ATOM 1304 C ARG A 88 -8.800 -1.005 2.720 1.00 0.00 C ATOM 1305 O ARG A 88 -9.417 -2.031 3.000 1.00 0.00 O ATOM 1306 CB ARG A 88 -9.724 1.111 3.664 1.00 0.00 C ATOM 1307 CG ARG A 88 -10.179 1.275 2.212 1.00 0.00 C ATOM 1308 CD ARG A 88 -11.296 2.314 2.102 1.00 0.00 C ATOM 1309 NE ARG A 88 -12.396 1.789 1.262 1.00 0.00 N ATOM 1310 CZ ARG A 88 -12.350 1.713 -0.075 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -11.259 2.128 -0.732 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -13.395 1.221 -0.754 1.00 0.00 N ATOM 0 H ARG A 88 -7.316 1.740 3.588 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.610 -0.353 4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.566 0.793 4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.389 2.072 4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.334 1.578 1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.529 0.317 1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.672 2.562 3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.905 3.235 1.670 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.242 1.465 1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.463 2.502 -0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.224 2.070 -1.750 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.225 0.904 -0.253 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.360 1.163 -1.772 1.00 0.00 H new ATOM 1326 N ASP A 89 -8.272 -0.747 1.532 1.00 0.00 N ATOM 1327 CA ASP A 89 -8.392 -1.696 0.438 1.00 0.00 C ATOM 1328 C ASP A 89 -7.371 -2.819 0.628 1.00 0.00 C ATOM 1329 O ASP A 89 -7.732 -3.994 0.649 1.00 0.00 O ATOM 1330 CB ASP A 89 -8.111 -1.023 -0.907 1.00 0.00 C ATOM 1331 CG ASP A 89 -8.967 -1.524 -2.072 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -10.197 -1.313 -2.004 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -8.373 -2.108 -3.004 1.00 0.00 O ATOM 0 H ASP A 89 -7.760 0.105 1.303 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.409 -2.087 0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.265 0.051 -0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.061 -1.171 -1.158 1.00 0.00 H new ATOM 1338 N GLY A 90 -6.115 -2.417 0.763 1.00 0.00 N ATOM 1339 CA GLY A 90 -5.039 -3.375 0.951 1.00 0.00 C ATOM 1340 C GLY A 90 -5.449 -4.474 1.933 1.00 0.00 C ATOM 1341 O GLY A 90 -5.463 -5.652 1.581 1.00 0.00 O ATOM 0 H GLY A 90 -5.819 -1.441 0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.772 -3.820 -0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.152 -2.862 1.323 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.772 -4.049 3.146 1.00 0.00 N ATOM 1346 CA VAL A 91 -6.181 -4.983 4.181 1.00 0.00 C ATOM 1347 C VAL A 91 -7.340 -5.837 3.664 1.00 0.00 C ATOM 1348 O VAL A 91 -7.343 -7.055 3.836 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.524 -4.224 5.465 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -5.367 -3.319 5.893 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -7.815 -3.420 5.297 1.00 0.00 C ATOM 0 H VAL A 91 -5.759 -3.071 3.435 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.364 -5.661 4.428 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.685 -4.957 6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.637 -2.791 6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.479 -3.924 6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.160 -2.595 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.037 -2.890 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.693 -2.700 4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.637 -4.096 5.060 1.00 0.00 H new ATOM 1361 N ARG A 92 -8.295 -5.165 3.039 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.457 -5.847 2.495 1.00 0.00 C ATOM 1363 C ARG A 92 -9.022 -7.057 1.666 1.00 0.00 C ATOM 1364 O ARG A 92 -9.573 -8.147 1.815 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.286 -4.908 1.617 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.681 -4.693 2.208 1.00 0.00 C ATOM 1367 CD ARG A 92 -12.217 -3.303 1.856 1.00 0.00 C ATOM 1368 NE ARG A 92 -12.649 -3.271 0.441 1.00 0.00 N ATOM 1369 CZ ARG A 92 -13.801 -3.790 -0.005 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -14.644 -4.384 0.851 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -14.111 -3.714 -1.306 1.00 0.00 N ATOM 0 H ARG A 92 -8.288 -4.155 2.897 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.070 -6.178 3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.776 -3.949 1.521 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.373 -5.325 0.614 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.362 -5.456 1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.643 -4.809 3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.055 -3.052 2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.445 -2.553 2.026 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.031 -2.826 -0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.409 -4.441 1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.521 -4.779 0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.470 -3.261 -1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.988 -4.109 -1.645 1.00 0.00 H new ATOM 1385 N LYS A 93 -8.037 -6.825 0.811 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.522 -7.883 -0.042 1.00 0.00 C ATOM 1387 C LYS A 93 -7.062 -9.055 0.828 1.00 0.00 C ATOM 1388 O LYS A 93 -7.427 -10.202 0.574 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.432 -7.341 -0.969 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.574 -8.477 -1.530 1.00 0.00 C ATOM 1391 CD LYS A 93 -6.336 -9.263 -2.599 1.00 0.00 C ATOM 1392 CE LYS A 93 -5.373 -10.046 -3.494 1.00 0.00 C ATOM 1393 NZ LYS A 93 -5.460 -9.570 -4.892 1.00 0.00 N ATOM 0 H LYS A 93 -7.582 -5.920 0.690 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.307 -8.260 -0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.889 -6.787 -1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.801 -6.640 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.658 -8.069 -1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.278 -9.147 -0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.035 -9.950 -2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.928 -8.578 -3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.353 -9.932 -3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.610 -11.109 -3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.800 -10.112 -5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.430 -9.702 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.212 -8.561 -4.931 1.00 0.00 H new ATOM 1407 N VAL A 94 -6.267 -8.726 1.836 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.754 -9.737 2.745 1.00 0.00 C ATOM 1409 C VAL A 94 -6.918 -10.363 3.515 1.00 0.00 C ATOM 1410 O VAL A 94 -7.110 -11.577 3.479 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.691 -9.127 3.660 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -4.105 -10.182 4.600 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.589 -8.448 2.844 1.00 0.00 C ATOM 0 H VAL A 94 -5.966 -7.774 2.043 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.265 -10.537 2.189 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.174 -8.365 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.352 -9.722 5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.899 -10.600 5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.646 -10.977 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.846 -8.023 3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.112 -9.182 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.023 -7.655 2.236 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.666 -9.505 4.194 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.807 -9.958 4.971 1.00 0.00 C ATOM 1425 C GLN A 95 -9.548 -11.071 4.227 1.00 0.00 C ATOM 1426 O GLN A 95 -9.753 -12.156 4.770 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.746 -8.795 5.296 1.00 0.00 C ATOM 1428 CG GLN A 95 -9.077 -7.799 6.245 1.00 0.00 C ATOM 1429 CD GLN A 95 -10.111 -7.128 7.152 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -11.209 -7.619 7.355 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -9.699 -5.981 7.686 1.00 0.00 N ATOM 0 H GLN A 95 -7.504 -8.498 4.222 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.442 -10.361 5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.035 -8.288 4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.660 -9.177 5.750 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.334 -8.314 6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.547 -7.041 5.668 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.767 -5.626 7.474 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.316 -5.457 8.307 1.00 0.00 H new ATOM 1440 N THR A 96 -9.930 -10.764 2.996 1.00 0.00 N ATOM 1441 CA THR A 96 -10.644 -11.724 2.172 1.00 0.00 C ATOM 1442 C THR A 96 -9.855 -13.032 2.073 1.00 0.00 C ATOM 1443 O THR A 96 -10.367 -14.097 2.415 1.00 0.00 O ATOM 1444 CB THR A 96 -10.915 -11.073 0.815 1.00 0.00 C ATOM 1445 OG1 THR A 96 -11.871 -10.057 1.102 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.645 -12.011 -0.149 1.00 0.00 C ATOM 0 H THR A 96 -9.758 -9.863 2.549 1.00 0.00 H new ATOM 0 HA THR A 96 -11.602 -11.992 2.617 1.00 0.00 H new ATOM 0 HB THR A 96 -9.972 -10.757 0.369 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.408 -9.247 1.401 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.813 -11.500 -1.097 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.039 -12.901 -0.319 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.604 -12.301 0.281 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.623 -12.908 1.603 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.759 -14.067 1.454 1.00 0.00 C ATOM 1456 C ILE A 97 -7.795 -14.893 2.741 1.00 0.00 C ATOM 1457 O ILE A 97 -8.067 -16.093 2.705 1.00 0.00 O ATOM 1458 CB ILE A 97 -6.350 -13.635 1.040 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -6.367 -12.949 -0.327 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -5.382 -14.819 1.076 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -5.173 -12.004 -0.481 1.00 0.00 C ATOM 0 H ILE A 97 -8.202 -12.023 1.320 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.119 -14.710 0.651 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.990 -12.903 1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.344 -13.701 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.295 -12.390 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.388 -14.486 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.341 -15.224 2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.727 -15.592 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.209 -11.529 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.212 -11.239 0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.246 -12.570 -0.386 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.518 -14.219 3.848 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.516 -14.877 5.144 1.00 0.00 C ATOM 1475 C LEU A 98 -8.803 -15.688 5.301 1.00 0.00 C ATOM 1476 O LEU A 98 -8.796 -16.760 5.904 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.291 -13.857 6.261 1.00 0.00 C ATOM 1478 CG LEU A 98 -5.851 -13.710 6.756 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.730 -12.561 7.759 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.332 -15.030 7.331 1.00 0.00 C ATOM 0 H LEU A 98 -7.293 -13.224 3.874 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.686 -15.580 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.635 -12.884 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.919 -14.132 7.108 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.220 -13.460 5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.696 -12.479 8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.032 -11.629 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.375 -12.756 8.616 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.306 -14.898 7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.960 -15.334 8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.359 -15.799 6.559 1.00 0.00 H new ATOM 1492 N GLU A 99 -9.878 -15.146 4.748 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.171 -15.806 4.820 1.00 0.00 C ATOM 1494 C GLU A 99 -11.241 -16.947 3.802 1.00 0.00 C ATOM 1495 O GLU A 99 -11.941 -17.935 4.019 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.309 -14.807 4.604 1.00 0.00 C ATOM 1497 CG GLU A 99 -13.188 -14.699 5.851 1.00 0.00 C ATOM 1498 CD GLU A 99 -14.392 -15.639 5.757 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -15.372 -15.242 5.091 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -14.305 -16.734 6.354 1.00 0.00 O ATOM 0 H GLU A 99 -9.880 -14.257 4.248 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.287 -16.228 5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.897 -13.828 4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.915 -15.119 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.601 -14.942 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.533 -13.672 5.969 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.507 -16.772 2.713 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.478 -17.774 1.661 1.00 0.00 C ATOM 1509 C LYS A 100 -9.641 -18.968 2.124 1.00 0.00 C ATOM 1510 O LYS A 100 -9.988 -20.116 1.852 1.00 0.00 O ATOM 1511 CB LYS A 100 -9.994 -17.157 0.347 1.00 0.00 C ATOM 1512 CG LYS A 100 -8.558 -17.583 0.037 1.00 0.00 C ATOM 1513 CD LYS A 100 -7.983 -16.769 -1.124 1.00 0.00 C ATOM 1514 CE LYS A 100 -8.497 -17.292 -2.467 1.00 0.00 C ATOM 1515 NZ LYS A 100 -7.635 -16.816 -3.572 1.00 0.00 N ATOM 0 H LYS A 100 -9.928 -15.951 2.536 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.483 -18.146 1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.652 -17.463 -0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.049 -16.070 0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.936 -17.450 0.922 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.535 -18.644 -0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.257 -15.720 -1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.894 -16.818 -1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.516 -18.382 -2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.522 -16.957 -2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.997 -17.180 -4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.637 -15.776 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.663 -17.157 -3.426 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.555 -18.656 2.817 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.666 -19.690 3.320 1.00 0.00 C ATOM 1531 C LEU A 101 -8.482 -20.723 4.100 1.00 0.00 C ATOM 1532 O LEU A 101 -8.432 -21.915 3.799 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.526 -19.068 4.130 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.248 -19.902 4.236 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -4.624 -19.774 5.628 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -5.511 -21.361 3.858 1.00 0.00 C ATOM 0 H LEU A 101 -8.271 -17.703 3.042 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.189 -20.218 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.273 -18.106 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.890 -18.867 5.138 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.525 -19.510 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.717 -20.376 5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.377 -18.730 5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -5.333 -20.124 6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.586 -21.931 3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.259 -21.782 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.876 -21.411 2.832 1.00 0.00 H new ATOM 1548 N GLU A 102 -9.216 -20.229 5.086 1.00 0.00 N ATOM 1549 CA GLU A 102 -10.041 -21.094 5.911 1.00 0.00 C ATOM 1550 C GLU A 102 -10.683 -22.189 5.056 1.00 0.00 C ATOM 1551 O GLU A 102 -10.326 -23.360 5.171 1.00 0.00 O ATOM 1552 CB GLU A 102 -11.106 -20.287 6.658 1.00 0.00 C ATOM 1553 CG GLU A 102 -10.693 -20.049 8.112 1.00 0.00 C ATOM 1554 CD GLU A 102 -11.805 -19.339 8.888 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -12.965 -19.783 8.750 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -11.469 -18.369 9.600 1.00 0.00 O ATOM 0 H GLU A 102 -9.256 -19.240 5.332 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.403 -21.569 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.260 -19.330 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.057 -20.818 6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.463 -21.002 8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.783 -19.449 8.142 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.618 -21.768 4.217 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.312 -22.698 3.343 1.00 0.00 C ATOM 1565 C GLN A 103 -11.325 -23.704 2.747 1.00 0.00 C ATOM 1566 O GLN A 103 -11.631 -24.890 2.641 1.00 0.00 O ATOM 1567 CB GLN A 103 -13.069 -21.954 2.241 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.486 -21.595 2.695 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.385 -21.289 1.495 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -15.026 -21.499 0.348 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -16.570 -20.783 1.823 1.00 0.00 N ATOM 0 H GLN A 103 -11.911 -20.795 4.124 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.045 -23.245 3.936 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.528 -21.046 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.116 -22.573 1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.908 -22.420 3.269 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.451 -20.730 3.358 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.807 -20.632 2.804 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -17.243 -20.545 1.094 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.161 -23.192 2.374 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.128 -24.031 1.792 1.00 0.00 C ATOM 1582 C LYS A 104 -8.645 -25.039 2.837 1.00 0.00 C ATOM 1583 O LYS A 104 -8.476 -26.219 2.535 1.00 0.00 O ATOM 1584 CB LYS A 104 -8.007 -23.171 1.204 1.00 0.00 C ATOM 1585 CG LYS A 104 -8.578 -22.015 0.379 1.00 0.00 C ATOM 1586 CD LYS A 104 -8.321 -22.228 -1.114 1.00 0.00 C ATOM 1587 CE LYS A 104 -8.865 -23.581 -1.577 1.00 0.00 C ATOM 1588 NZ LYS A 104 -8.814 -23.682 -3.052 1.00 0.00 N ATOM 0 H LYS A 104 -9.911 -22.207 2.464 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.530 -24.605 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.386 -22.777 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.362 -23.787 0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.650 -21.930 0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.126 -21.077 0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.792 -21.428 -1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.251 -22.175 -1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.281 -24.386 -1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.892 -23.704 -1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.187 -24.606 -3.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.390 -22.925 -3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.829 -23.586 -3.373 1.00 0.00 H new ATOM 1602 N ALA A 105 -8.438 -24.536 4.045 1.00 0.00 N ATOM 1603 CA ALA A 105 -7.979 -25.378 5.137 1.00 0.00 C ATOM 1604 C ALA A 105 -9.188 -25.910 5.909 1.00 0.00 C ATOM 1605 O ALA A 105 -9.119 -26.101 7.122 1.00 0.00 O ATOM 1606 CB ALA A 105 -7.022 -24.582 6.028 1.00 0.00 C ATOM 0 H ALA A 105 -8.580 -23.556 4.292 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.429 -26.237 4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.678 -25.213 6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.166 -24.252 5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.540 -23.713 6.433 1.00 0.00 H new ATOM 1612 N SER A 106 -10.267 -26.133 5.174 1.00 0.00 N ATOM 1613 CA SER A 106 -11.490 -26.639 5.775 1.00 0.00 C ATOM 1614 C SER A 106 -12.023 -27.820 4.961 1.00 0.00 C ATOM 1615 O SER A 106 -13.110 -28.326 5.234 1.00 0.00 O ATOM 1616 CB SER A 106 -12.550 -25.541 5.874 1.00 0.00 C ATOM 1617 OG SER A 106 -13.869 -26.055 5.711 1.00 0.00 O ATOM 0 H SER A 106 -10.320 -25.973 4.168 1.00 0.00 H new ATOM 0 HA SER A 106 -11.260 -26.977 6.786 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.471 -25.047 6.842 1.00 0.00 H new ATOM 0 HB3 SER A 106 -12.360 -24.784 5.113 1.00 0.00 H new ATOM 0 HG SER A 106 -13.910 -26.969 6.062 1.00 0.00 H new