USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=12 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 Single : A 26 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-12!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -123:sc= 0.768 (180deg=-0.0147) USER MOD Single : A 40 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.7) USER MOD Single : A 44 GLN : amide:sc= -0.0308 K(o=-0.031,f=-1.8) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0765 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.35 USER MOD Single : A 60 MET CE :methyl 150:sc= -0.55 (180deg=-1.74!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 108:sc= 1.28 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= -0.217 K(o=-0.22,f=-2.7!) USER MOD Single : A 93 LYS NZ :NH3+ 155:sc= -0.0334 (180deg=-0.374) USER MOD Single : A 95 GLN : amide:sc= -0.0316 K(o=-0.032,f=-0.79) USER MOD Single : A 96 THR OG1 : rot 88:sc= 0.22 USER MOD Single : A 100 LYS NZ :NH3+ -147:sc= -1.39 (180deg=-2.58) USER MOD Single : A 103 GLN : amide:sc= -0.0659 K(o=-0.066,f=-1.4) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot -35:sc= 0.294 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 26 1.915 7.951 -5.859 1.00 0.00 N ATOM 308 CA HIS A 26 2.088 8.376 -4.481 1.00 0.00 C ATOM 309 C HIS A 26 2.820 7.286 -3.695 1.00 0.00 C ATOM 310 O HIS A 26 2.528 6.102 -3.852 1.00 0.00 O ATOM 311 CB HIS A 26 0.744 8.756 -3.857 1.00 0.00 C ATOM 312 CG HIS A 26 0.863 9.528 -2.565 1.00 0.00 C ATOM 313 ND1 HIS A 26 1.241 8.938 -1.371 1.00 0.00 N ATOM 314 CD2 HIS A 26 0.652 10.848 -2.292 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.252 9.870 -0.429 1.00 0.00 C ATOM 316 NE2 HIS A 26 0.886 11.053 -1.002 1.00 0.00 N ATOM 0 HA HIS A 26 2.705 9.274 -4.449 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.178 9.352 -4.573 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.170 7.847 -3.674 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.346 11.599 -3.005 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.506 9.720 0.610 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.806 11.947 -0.518 1.00 0.00 H new ATOM 324 N PRO A 27 3.781 7.738 -2.845 1.00 0.00 N ATOM 325 CA PRO A 27 4.556 6.814 -2.035 1.00 0.00 C ATOM 326 C PRO A 27 3.725 6.279 -0.867 1.00 0.00 C ATOM 327 O PRO A 27 3.865 5.119 -0.482 1.00 0.00 O ATOM 328 CB PRO A 27 5.770 7.610 -1.584 1.00 0.00 C ATOM 329 CG PRO A 27 5.401 9.073 -1.769 1.00 0.00 C ATOM 330 CD PRO A 27 4.153 9.133 -2.634 1.00 0.00 C ATOM 0 HA PRO A 27 4.861 5.925 -2.587 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.012 7.397 -0.543 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.649 7.351 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.220 9.546 -0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.219 9.616 -2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.354 9.685 -2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.351 9.638 -3.580 1.00 0.00 H new ATOM 338 N GLY A 28 2.880 7.150 -0.335 1.00 0.00 N ATOM 339 CA GLY A 28 2.027 6.779 0.781 1.00 0.00 C ATOM 340 C GLY A 28 1.196 5.538 0.447 1.00 0.00 C ATOM 341 O GLY A 28 0.959 4.695 1.311 1.00 0.00 O ATOM 0 H GLY A 28 2.768 8.112 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.639 6.585 1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.365 7.609 1.029 1.00 0.00 H new ATOM 345 N VAL A 29 0.776 5.466 -0.807 1.00 0.00 N ATOM 346 CA VAL A 29 -0.023 4.343 -1.266 1.00 0.00 C ATOM 347 C VAL A 29 0.876 3.115 -1.429 1.00 0.00 C ATOM 348 O VAL A 29 0.649 2.086 -0.796 1.00 0.00 O ATOM 349 CB VAL A 29 -0.764 4.717 -2.551 1.00 0.00 C ATOM 350 CG1 VAL A 29 -1.709 3.595 -2.986 1.00 0.00 C ATOM 351 CG2 VAL A 29 -1.520 6.036 -2.384 1.00 0.00 C ATOM 0 H VAL A 29 0.974 6.168 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.786 4.091 -0.529 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.022 4.853 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.223 3.887 -3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.136 2.686 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.442 3.412 -2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.038 6.279 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.247 5.939 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.815 6.832 -2.143 1.00 0.00 H new ATOM 361 N LEU A 30 1.878 3.266 -2.283 1.00 0.00 N ATOM 362 CA LEU A 30 2.812 2.182 -2.538 1.00 0.00 C ATOM 363 C LEU A 30 3.128 1.467 -1.223 1.00 0.00 C ATOM 364 O LEU A 30 3.307 0.250 -1.202 1.00 0.00 O ATOM 365 CB LEU A 30 4.052 2.705 -3.267 1.00 0.00 C ATOM 366 CG LEU A 30 3.798 3.413 -4.600 1.00 0.00 C ATOM 367 CD1 LEU A 30 4.815 4.532 -4.829 1.00 0.00 C ATOM 368 CD2 LEU A 30 3.776 2.412 -5.757 1.00 0.00 C ATOM 0 H LEU A 30 2.063 4.122 -2.807 1.00 0.00 H new ATOM 0 HA LEU A 30 2.366 1.443 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.574 3.396 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.725 1.866 -3.446 1.00 0.00 H new ATOM 0 HG LEU A 30 2.813 3.878 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.612 5.019 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.738 5.264 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.821 4.112 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.594 2.941 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.736 1.898 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.983 1.683 -5.592 1.00 0.00 H new ATOM 380 N LYS A 31 3.187 2.253 -0.158 1.00 0.00 N ATOM 381 CA LYS A 31 3.478 1.709 1.157 1.00 0.00 C ATOM 382 C LYS A 31 2.702 0.405 1.349 1.00 0.00 C ATOM 383 O LYS A 31 3.191 -0.525 1.989 1.00 0.00 O ATOM 384 CB LYS A 31 3.203 2.753 2.241 1.00 0.00 C ATOM 385 CG LYS A 31 4.320 2.766 3.286 1.00 0.00 C ATOM 386 CD LYS A 31 4.410 4.129 3.976 1.00 0.00 C ATOM 387 CE LYS A 31 5.761 4.303 4.674 1.00 0.00 C ATOM 388 NZ LYS A 31 6.247 5.692 4.522 1.00 0.00 N ATOM 0 H LYS A 31 3.038 3.262 -0.179 1.00 0.00 H new ATOM 0 HA LYS A 31 4.537 1.465 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.114 3.740 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.250 2.538 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.137 1.990 4.029 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.272 2.532 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.272 4.922 3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.605 4.225 4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.665 4.059 5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.487 3.609 4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.164 5.793 5.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.358 5.912 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.561 6.348 4.946 1.00 0.00 H new ATOM 402 N VAL A 32 1.504 0.377 0.782 1.00 0.00 N ATOM 403 CA VAL A 32 0.656 -0.798 0.882 1.00 0.00 C ATOM 404 C VAL A 32 1.043 -1.796 -0.210 1.00 0.00 C ATOM 405 O VAL A 32 1.142 -2.995 0.047 1.00 0.00 O ATOM 406 CB VAL A 32 -0.817 -0.387 0.821 1.00 0.00 C ATOM 407 CG1 VAL A 32 -1.043 0.949 1.533 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.310 -0.327 -0.626 1.00 0.00 C ATOM 0 H VAL A 32 1.101 1.150 0.252 1.00 0.00 H new ATOM 0 HA VAL A 32 0.802 -1.294 1.842 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.399 -1.147 1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.098 1.218 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.748 0.858 2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.444 1.723 1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.359 -0.033 -0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.721 0.403 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.202 -1.308 -1.088 1.00 0.00 H new ATOM 418 N GLU A 33 1.252 -1.265 -1.406 1.00 0.00 N ATOM 419 CA GLU A 33 1.627 -2.095 -2.538 1.00 0.00 C ATOM 420 C GLU A 33 2.852 -2.944 -2.192 1.00 0.00 C ATOM 421 O GLU A 33 2.976 -4.078 -2.651 1.00 0.00 O ATOM 422 CB GLU A 33 1.885 -1.242 -3.781 1.00 0.00 C ATOM 423 CG GLU A 33 0.598 -0.568 -4.261 1.00 0.00 C ATOM 424 CD GLU A 33 0.323 -0.895 -5.730 1.00 0.00 C ATOM 425 OE1 GLU A 33 0.370 -2.099 -6.062 1.00 0.00 O ATOM 426 OE2 GLU A 33 0.071 0.066 -6.488 1.00 0.00 O ATOM 0 H GLU A 33 1.169 -0.270 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 33 0.797 -2.765 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.635 -0.483 -3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.291 -1.866 -4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.240 -0.899 -3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.679 0.512 -4.134 1.00 0.00 H new ATOM 433 N ALA A 34 3.726 -2.362 -1.384 1.00 0.00 N ATOM 434 CA ALA A 34 4.937 -3.051 -0.971 1.00 0.00 C ATOM 435 C ALA A 34 4.563 -4.256 -0.106 1.00 0.00 C ATOM 436 O ALA A 34 5.239 -5.283 -0.140 1.00 0.00 O ATOM 437 CB ALA A 34 5.857 -2.072 -0.239 1.00 0.00 C ATOM 0 H ALA A 34 3.620 -1.421 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 34 5.481 -3.424 -1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.765 -2.589 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.117 -1.249 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.345 -1.679 0.640 1.00 0.00 H new ATOM 443 N ILE A 35 3.487 -4.092 0.649 1.00 0.00 N ATOM 444 CA ILE A 35 3.015 -5.154 1.521 1.00 0.00 C ATOM 445 C ILE A 35 2.195 -6.153 0.703 1.00 0.00 C ATOM 446 O ILE A 35 2.482 -7.349 0.708 1.00 0.00 O ATOM 447 CB ILE A 35 2.258 -4.569 2.716 1.00 0.00 C ATOM 448 CG1 ILE A 35 3.017 -3.386 3.320 1.00 0.00 C ATOM 449 CG2 ILE A 35 1.958 -5.650 3.757 1.00 0.00 C ATOM 450 CD1 ILE A 35 2.104 -2.552 4.222 1.00 0.00 C ATOM 0 H ILE A 35 2.928 -3.239 0.675 1.00 0.00 H new ATOM 0 HA ILE A 35 3.857 -5.703 1.944 1.00 0.00 H new ATOM 0 HB ILE A 35 1.300 -4.189 2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.868 -3.751 3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.416 -2.760 2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.420 -5.208 4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.347 -6.431 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.893 -6.082 4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.668 -1.718 4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.267 -2.169 3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.726 -3.175 5.033 1.00 0.00 H new ATOM 462 N LEU A 36 1.190 -5.626 0.019 1.00 0.00 N ATOM 463 CA LEU A 36 0.326 -6.457 -0.802 1.00 0.00 C ATOM 464 C LEU A 36 1.181 -7.457 -1.583 1.00 0.00 C ATOM 465 O LEU A 36 0.783 -8.606 -1.771 1.00 0.00 O ATOM 466 CB LEU A 36 -0.568 -5.588 -1.689 1.00 0.00 C ATOM 467 CG LEU A 36 -1.968 -5.292 -1.146 1.00 0.00 C ATOM 468 CD1 LEU A 36 -2.761 -4.418 -2.119 1.00 0.00 C ATOM 469 CD2 LEU A 36 -2.708 -6.587 -0.804 1.00 0.00 C ATOM 0 H LEU A 36 0.955 -4.633 0.017 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.352 -7.037 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.060 -4.640 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.672 -6.078 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.863 -4.727 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.752 -4.223 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.238 -3.473 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.859 -4.934 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.700 -6.349 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.803 -7.199 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.149 -7.137 -0.047 1.00 0.00 H new ATOM 481 N GLU A 37 2.340 -6.984 -2.018 1.00 0.00 N ATOM 482 CA GLU A 37 3.254 -7.823 -2.774 1.00 0.00 C ATOM 483 C GLU A 37 3.393 -9.192 -2.107 1.00 0.00 C ATOM 484 O GLU A 37 3.410 -10.219 -2.785 1.00 0.00 O ATOM 485 CB GLU A 37 4.617 -7.147 -2.929 1.00 0.00 C ATOM 486 CG GLU A 37 4.935 -6.884 -4.402 1.00 0.00 C ATOM 487 CD GLU A 37 6.409 -6.517 -4.589 1.00 0.00 C ATOM 488 OE1 GLU A 37 7.217 -7.463 -4.714 1.00 0.00 O ATOM 489 OE2 GLU A 37 6.694 -5.300 -4.601 1.00 0.00 O ATOM 0 H GLU A 37 2.667 -6.031 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 37 2.842 -7.968 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.625 -6.206 -2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.391 -7.778 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.700 -7.770 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.305 -6.076 -4.775 1.00 0.00 H new ATOM 496 N LYS A 38 3.490 -9.164 -0.786 1.00 0.00 N ATOM 497 CA LYS A 38 3.627 -10.391 -0.019 1.00 0.00 C ATOM 498 C LYS A 38 2.315 -11.175 -0.080 1.00 0.00 C ATOM 499 O LYS A 38 2.315 -12.373 -0.360 1.00 0.00 O ATOM 500 CB LYS A 38 4.094 -10.083 1.405 1.00 0.00 C ATOM 501 CG LYS A 38 5.484 -9.444 1.400 1.00 0.00 C ATOM 502 CD LYS A 38 5.431 -8.011 1.935 1.00 0.00 C ATOM 503 CE LYS A 38 6.809 -7.555 2.419 1.00 0.00 C ATOM 504 NZ LYS A 38 7.156 -6.242 1.832 1.00 0.00 N ATOM 0 H LYS A 38 3.476 -8.311 -0.227 1.00 0.00 H new ATOM 0 HA LYS A 38 4.399 -11.027 -0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.383 -9.412 1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.114 -11.001 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.164 -10.039 2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.884 -9.443 0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.076 -7.340 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.716 -7.951 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.815 -7.487 3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.561 -8.294 2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.054 -6.320 1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.404 -5.944 1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.254 -5.538 2.591 1.00 0.00 H new ATOM 518 N VAL A 39 1.227 -10.467 0.188 1.00 0.00 N ATOM 519 CA VAL A 39 -0.090 -11.082 0.167 1.00 0.00 C ATOM 520 C VAL A 39 -0.226 -11.943 -1.090 1.00 0.00 C ATOM 521 O VAL A 39 -0.829 -13.015 -1.051 1.00 0.00 O ATOM 522 CB VAL A 39 -1.171 -10.006 0.275 1.00 0.00 C ATOM 523 CG1 VAL A 39 -2.567 -10.615 0.127 1.00 0.00 C ATOM 524 CG2 VAL A 39 -1.047 -9.232 1.589 1.00 0.00 C ATOM 0 H VAL A 39 1.230 -9.474 0.421 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.218 -11.740 1.026 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.024 -9.301 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.317 -9.829 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.652 -11.099 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.728 -11.352 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.828 -8.473 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.154 -9.920 2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.070 -8.751 1.637 1.00 0.00 H new ATOM 534 N GLN A 40 0.345 -11.443 -2.176 1.00 0.00 N ATOM 535 CA GLN A 40 0.294 -12.153 -3.443 1.00 0.00 C ATOM 536 C GLN A 40 0.865 -13.563 -3.284 1.00 0.00 C ATOM 537 O GLN A 40 0.430 -14.493 -3.961 1.00 0.00 O ATOM 538 CB GLN A 40 1.037 -11.380 -4.535 1.00 0.00 C ATOM 539 CG GLN A 40 0.336 -10.056 -4.844 1.00 0.00 C ATOM 540 CD GLN A 40 -0.980 -10.294 -5.588 1.00 0.00 C ATOM 541 OE1 GLN A 40 -1.286 -11.391 -6.026 1.00 0.00 O ATOM 542 NE2 GLN A 40 -1.738 -9.208 -5.707 1.00 0.00 N ATOM 0 H GLN A 40 0.845 -10.555 -2.205 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.749 -12.237 -3.749 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.061 -11.187 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.093 -11.985 -5.440 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.141 -9.518 -3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.990 -9.426 -5.447 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.422 -8.320 -5.317 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.636 -9.263 -6.188 1.00 0.00 H new ATOM 551 N GLY A 41 1.832 -13.678 -2.384 1.00 0.00 N ATOM 552 CA GLY A 41 2.467 -14.959 -2.128 1.00 0.00 C ATOM 553 C GLY A 41 1.548 -15.874 -1.316 1.00 0.00 C ATOM 554 O GLY A 41 1.636 -17.097 -1.417 1.00 0.00 O ATOM 0 H GLY A 41 2.190 -12.905 -1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.721 -15.439 -3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.401 -14.804 -1.588 1.00 0.00 H new ATOM 558 N LEU A 42 0.685 -15.247 -0.530 1.00 0.00 N ATOM 559 CA LEU A 42 -0.249 -15.989 0.299 1.00 0.00 C ATOM 560 C LEU A 42 -1.551 -16.205 -0.476 1.00 0.00 C ATOM 561 O LEU A 42 -2.237 -17.206 -0.277 1.00 0.00 O ATOM 562 CB LEU A 42 -0.444 -15.289 1.646 1.00 0.00 C ATOM 563 CG LEU A 42 0.834 -14.934 2.408 1.00 0.00 C ATOM 564 CD1 LEU A 42 1.633 -16.192 2.754 1.00 0.00 C ATOM 565 CD2 LEU A 42 1.672 -13.918 1.630 1.00 0.00 C ATOM 0 H LEU A 42 0.613 -14.233 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 42 0.151 -16.975 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.010 -14.373 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.056 -15.930 2.281 1.00 0.00 H new ATOM 0 HG LEU A 42 0.551 -14.463 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.537 -15.912 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.026 -16.849 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.907 -16.713 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.575 -13.683 2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.947 -14.338 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.092 -13.008 1.478 1.00 0.00 H new ATOM 577 N GLU A 43 -1.851 -15.249 -1.343 1.00 0.00 N ATOM 578 CA GLU A 43 -3.058 -15.322 -2.149 1.00 0.00 C ATOM 579 C GLU A 43 -2.968 -16.489 -3.135 1.00 0.00 C ATOM 580 O GLU A 43 -3.934 -17.230 -3.315 1.00 0.00 O ATOM 581 CB GLU A 43 -3.308 -14.003 -2.883 1.00 0.00 C ATOM 582 CG GLU A 43 -4.805 -13.771 -3.098 1.00 0.00 C ATOM 583 CD GLU A 43 -5.465 -14.998 -3.732 1.00 0.00 C ATOM 584 OE1 GLU A 43 -5.051 -15.345 -4.859 1.00 0.00 O ATOM 585 OE2 GLU A 43 -6.368 -15.560 -3.075 1.00 0.00 O ATOM 0 H GLU A 43 -1.279 -14.420 -1.505 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.905 -15.497 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.887 -13.178 -2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.796 -14.015 -3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.283 -13.549 -2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.954 -12.902 -3.739 1.00 0.00 H new ATOM 592 N GLN A 44 -1.800 -16.617 -3.747 1.00 0.00 N ATOM 593 CA GLN A 44 -1.572 -17.681 -4.710 1.00 0.00 C ATOM 594 C GLN A 44 -1.475 -19.031 -3.996 1.00 0.00 C ATOM 595 O GLN A 44 -1.807 -20.066 -4.570 1.00 0.00 O ATOM 596 CB GLN A 44 -0.317 -17.409 -5.541 1.00 0.00 C ATOM 597 CG GLN A 44 -0.505 -16.179 -6.432 1.00 0.00 C ATOM 598 CD GLN A 44 -1.249 -16.544 -7.718 1.00 0.00 C ATOM 599 OE1 GLN A 44 -1.844 -17.602 -7.843 1.00 0.00 O ATOM 600 NE2 GLN A 44 -1.184 -15.611 -8.664 1.00 0.00 N ATOM 0 H GLN A 44 -1.001 -16.001 -3.595 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.420 -17.714 -5.394 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.536 -17.256 -4.879 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.090 -18.278 -6.158 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.061 -15.414 -5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.467 -15.752 -6.678 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.669 -14.747 -8.494 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.649 -15.759 -9.559 1.00 0.00 H new ATOM 609 N ALA A 45 -1.018 -18.975 -2.753 1.00 0.00 N ATOM 610 CA ALA A 45 -0.873 -20.181 -1.955 1.00 0.00 C ATOM 611 C ALA A 45 -2.258 -20.684 -1.543 1.00 0.00 C ATOM 612 O ALA A 45 -2.564 -21.865 -1.697 1.00 0.00 O ATOM 613 CB ALA A 45 0.024 -19.890 -0.750 1.00 0.00 C ATOM 0 H ALA A 45 -0.744 -18.114 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.395 -20.970 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.133 -20.794 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.005 -19.564 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.426 -19.105 -0.143 1.00 0.00 H new ATOM 619 N VAL A 46 -3.058 -19.762 -1.027 1.00 0.00 N ATOM 620 CA VAL A 46 -4.403 -20.098 -0.592 1.00 0.00 C ATOM 621 C VAL A 46 -5.170 -20.726 -1.758 1.00 0.00 C ATOM 622 O VAL A 46 -5.627 -21.864 -1.663 1.00 0.00 O ATOM 623 CB VAL A 46 -5.094 -18.857 -0.022 1.00 0.00 C ATOM 624 CG1 VAL A 46 -6.613 -19.035 -0.004 1.00 0.00 C ATOM 625 CG2 VAL A 46 -4.564 -18.527 1.374 1.00 0.00 C ATOM 0 H VAL A 46 -2.801 -18.783 -0.901 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.372 -20.834 0.211 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.863 -18.015 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.079 -18.139 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.972 -19.199 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.871 -19.894 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.072 -17.641 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.750 -19.368 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.492 -18.336 1.321 1.00 0.00 H new ATOM 635 N ASP A 47 -5.287 -19.958 -2.830 1.00 0.00 N ATOM 636 CA ASP A 47 -5.990 -20.425 -4.013 1.00 0.00 C ATOM 637 C ASP A 47 -5.539 -21.850 -4.339 1.00 0.00 C ATOM 638 O ASP A 47 -6.336 -22.667 -4.799 1.00 0.00 O ATOM 639 CB ASP A 47 -5.680 -19.542 -5.223 1.00 0.00 C ATOM 640 CG ASP A 47 -6.821 -19.404 -6.233 1.00 0.00 C ATOM 641 OD1 ASP A 47 -7.675 -18.521 -6.007 1.00 0.00 O ATOM 642 OD2 ASP A 47 -6.813 -20.186 -7.208 1.00 0.00 O ATOM 0 H ASP A 47 -4.907 -19.015 -2.905 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.060 -20.389 -3.806 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.407 -18.548 -4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.808 -19.948 -5.736 1.00 0.00 H new ATOM 647 N SER A 48 -4.264 -22.105 -4.088 1.00 0.00 N ATOM 648 CA SER A 48 -3.698 -23.418 -4.350 1.00 0.00 C ATOM 649 C SER A 48 -3.133 -24.011 -3.057 1.00 0.00 C ATOM 650 O SER A 48 -1.998 -24.486 -3.032 1.00 0.00 O ATOM 651 CB SER A 48 -2.608 -23.344 -5.421 1.00 0.00 C ATOM 652 OG SER A 48 -2.687 -24.431 -6.339 1.00 0.00 O ATOM 0 H SER A 48 -3.606 -21.425 -3.706 1.00 0.00 H new ATOM 0 HA SER A 48 -4.492 -24.065 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.697 -22.403 -5.964 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.629 -23.344 -4.942 1.00 0.00 H new ATOM 0 HG SER A 48 -1.976 -24.347 -7.008 1.00 0.00 H new ATOM 658 N PHE A 49 -3.950 -23.964 -2.016 1.00 0.00 N ATOM 659 CA PHE A 49 -3.546 -24.490 -0.723 1.00 0.00 C ATOM 660 C PHE A 49 -4.286 -25.791 -0.405 1.00 0.00 C ATOM 661 O PHE A 49 -5.303 -26.099 -1.026 1.00 0.00 O ATOM 662 CB PHE A 49 -3.916 -23.438 0.324 1.00 0.00 C ATOM 663 CG PHE A 49 -3.913 -23.963 1.761 1.00 0.00 C ATOM 664 CD1 PHE A 49 -2.757 -23.979 2.477 1.00 0.00 C ATOM 665 CD2 PHE A 49 -5.067 -24.413 2.323 1.00 0.00 C ATOM 666 CE1 PHE A 49 -2.754 -24.466 3.811 1.00 0.00 C ATOM 667 CE2 PHE A 49 -5.064 -24.900 3.657 1.00 0.00 C ATOM 668 CZ PHE A 49 -3.908 -24.916 4.373 1.00 0.00 C ATOM 0 H PHE A 49 -4.890 -23.570 -2.041 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.477 -24.702 -0.726 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.216 -22.605 0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.906 -23.044 0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.841 -23.621 2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.985 -24.400 1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.836 -24.479 4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.980 -25.258 4.103 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.906 -25.286 5.388 1.00 0.00 H new ATOM 678 N GLU A 50 -3.747 -26.521 0.560 1.00 0.00 N ATOM 679 CA GLU A 50 -4.344 -27.781 0.968 1.00 0.00 C ATOM 680 C GLU A 50 -3.933 -28.124 2.402 1.00 0.00 C ATOM 681 O GLU A 50 -2.757 -28.042 2.751 1.00 0.00 O ATOM 682 CB GLU A 50 -3.960 -28.906 0.004 1.00 0.00 C ATOM 683 CG GLU A 50 -4.912 -30.096 0.144 1.00 0.00 C ATOM 684 CD GLU A 50 -4.195 -31.411 -0.167 1.00 0.00 C ATOM 685 OE1 GLU A 50 -3.293 -31.766 0.622 1.00 0.00 O ATOM 686 OE2 GLU A 50 -4.565 -32.032 -1.187 1.00 0.00 O ATOM 0 H GLU A 50 -2.903 -26.264 1.071 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.428 -27.674 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.983 -28.536 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.938 -29.228 0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.314 -30.128 1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.758 -29.971 -0.531 1.00 0.00 H new ATOM 693 N GLY A 51 -4.927 -28.500 3.194 1.00 0.00 N ATOM 694 CA GLY A 51 -4.684 -28.855 4.581 1.00 0.00 C ATOM 695 C GLY A 51 -5.927 -28.604 5.437 1.00 0.00 C ATOM 696 O GLY A 51 -7.027 -29.019 5.077 1.00 0.00 O ATOM 0 H GLY A 51 -5.902 -28.566 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.399 -29.905 4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.848 -28.273 4.968 1.00 0.00 H new ATOM 700 N LYS A 52 -5.710 -27.924 6.554 1.00 0.00 N ATOM 701 CA LYS A 52 -6.799 -27.613 7.464 1.00 0.00 C ATOM 702 C LYS A 52 -6.444 -26.360 8.267 1.00 0.00 C ATOM 703 O LYS A 52 -5.450 -25.694 7.979 1.00 0.00 O ATOM 704 CB LYS A 52 -7.134 -28.826 8.334 1.00 0.00 C ATOM 705 CG LYS A 52 -5.879 -29.647 8.637 1.00 0.00 C ATOM 706 CD LYS A 52 -5.862 -30.942 7.824 1.00 0.00 C ATOM 707 CE LYS A 52 -6.062 -32.160 8.728 1.00 0.00 C ATOM 708 NZ LYS A 52 -6.500 -33.329 7.933 1.00 0.00 N ATOM 0 H LYS A 52 -4.796 -27.580 6.849 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.709 -27.389 6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.590 -28.494 9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.868 -29.451 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.991 -29.058 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.841 -29.881 9.701 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.648 -30.912 7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.914 -31.030 7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.131 -32.393 9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.805 -31.934 9.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.631 -34.147 8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.399 -33.109 7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.778 -33.553 7.219 1.00 0.00 H new ATOM 722 N LYS A 53 -7.276 -26.075 9.258 1.00 0.00 N ATOM 723 CA LYS A 53 -7.062 -24.914 10.105 1.00 0.00 C ATOM 724 C LYS A 53 -6.209 -25.316 11.309 1.00 0.00 C ATOM 725 O LYS A 53 -5.947 -24.498 12.190 1.00 0.00 O ATOM 726 CB LYS A 53 -8.399 -24.275 10.485 1.00 0.00 C ATOM 727 CG LYS A 53 -9.196 -23.887 9.237 1.00 0.00 C ATOM 728 CD LYS A 53 -10.571 -23.331 9.615 1.00 0.00 C ATOM 729 CE LYS A 53 -11.690 -24.207 9.050 1.00 0.00 C ATOM 730 NZ LYS A 53 -12.723 -24.457 10.081 1.00 0.00 N ATOM 0 H LYS A 53 -8.100 -26.628 9.493 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.509 -24.145 9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.980 -24.971 11.090 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.223 -23.391 11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.643 -23.142 8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.317 -24.758 8.593 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.660 -23.276 10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.673 -22.314 9.235 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.141 -23.719 8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.278 -25.154 8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.475 -25.053 9.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.292 -24.942 10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.128 -23.551 10.393 1.00 0.00 H new ATOM 744 N THR A 54 -5.799 -26.576 11.309 1.00 0.00 N ATOM 745 CA THR A 54 -4.980 -27.097 12.391 1.00 0.00 C ATOM 746 C THR A 54 -3.586 -27.460 11.877 1.00 0.00 C ATOM 747 O THR A 54 -2.644 -27.583 12.659 1.00 0.00 O ATOM 748 CB THR A 54 -5.723 -28.277 13.020 1.00 0.00 C ATOM 749 OG1 THR A 54 -5.525 -29.344 12.096 1.00 0.00 O ATOM 750 CG2 THR A 54 -7.239 -28.074 13.035 1.00 0.00 C ATOM 0 H THR A 54 -6.019 -27.252 10.577 1.00 0.00 H new ATOM 0 HA THR A 54 -4.821 -26.346 13.164 1.00 0.00 H new ATOM 0 HB THR A 54 -5.367 -28.428 14.039 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.973 -30.150 12.427 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.718 -28.940 13.492 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.481 -27.180 13.610 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.600 -27.956 12.013 1.00 0.00 H new ATOM 758 N ASP A 55 -3.497 -27.623 10.565 1.00 0.00 N ATOM 759 CA ASP A 55 -2.233 -27.970 9.937 1.00 0.00 C ATOM 760 C ASP A 55 -1.229 -26.837 10.161 1.00 0.00 C ATOM 761 O ASP A 55 -1.618 -25.707 10.451 1.00 0.00 O ATOM 762 CB ASP A 55 -2.402 -28.161 8.429 1.00 0.00 C ATOM 763 CG ASP A 55 -2.142 -29.582 7.924 1.00 0.00 C ATOM 764 OD1 ASP A 55 -1.678 -30.400 8.746 1.00 0.00 O ATOM 765 OD2 ASP A 55 -2.414 -29.817 6.727 1.00 0.00 O ATOM 0 H ASP A 55 -4.280 -27.521 9.919 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.880 -28.901 10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.416 -27.873 8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.726 -27.479 7.914 1.00 0.00 H new ATOM 770 N LYS A 56 0.042 -27.180 10.018 1.00 0.00 N ATOM 771 CA LYS A 56 1.105 -26.206 10.201 1.00 0.00 C ATOM 772 C LYS A 56 1.160 -25.282 8.982 1.00 0.00 C ATOM 773 O LYS A 56 1.103 -24.061 9.121 1.00 0.00 O ATOM 774 CB LYS A 56 2.430 -26.909 10.500 1.00 0.00 C ATOM 775 CG LYS A 56 3.600 -25.925 10.434 1.00 0.00 C ATOM 776 CD LYS A 56 3.580 -24.968 11.627 1.00 0.00 C ATOM 777 CE LYS A 56 4.742 -23.975 11.553 1.00 0.00 C ATOM 778 NZ LYS A 56 5.652 -24.156 12.706 1.00 0.00 N ATOM 0 H LYS A 56 0.360 -28.119 9.778 1.00 0.00 H new ATOM 0 HA LYS A 56 0.901 -25.578 11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.389 -27.365 11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.588 -27.715 9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.541 -26.474 10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.549 -25.356 9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.635 -24.426 11.647 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.641 -25.537 12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.291 -24.118 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.357 -22.955 11.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.435 -23.475 12.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.128 -23.997 13.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.034 -25.123 12.699 1.00 0.00 H new ATOM 792 N LYS A 57 1.270 -25.901 7.816 1.00 0.00 N ATOM 793 CA LYS A 57 1.333 -25.150 6.573 1.00 0.00 C ATOM 794 C LYS A 57 0.342 -23.986 6.635 1.00 0.00 C ATOM 795 O LYS A 57 0.685 -22.854 6.296 1.00 0.00 O ATOM 796 CB LYS A 57 1.119 -26.076 5.375 1.00 0.00 C ATOM 797 CG LYS A 57 0.985 -25.275 4.079 1.00 0.00 C ATOM 798 CD LYS A 57 0.256 -26.086 3.005 1.00 0.00 C ATOM 799 CE LYS A 57 1.175 -26.372 1.816 1.00 0.00 C ATOM 800 NZ LYS A 57 0.858 -27.689 1.221 1.00 0.00 N ATOM 0 H LYS A 57 1.317 -26.914 7.705 1.00 0.00 H new ATOM 0 HA LYS A 57 2.325 -24.719 6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.956 -26.769 5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.222 -26.676 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.441 -24.351 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.974 -24.993 3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.097 -27.025 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.624 -25.539 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.062 -25.590 1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.215 -26.354 2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.491 -27.867 0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.989 -28.433 1.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.129 -27.693 0.893 1.00 0.00 H new ATOM 814 N TYR A 58 -0.868 -24.303 7.071 1.00 0.00 N ATOM 815 CA TYR A 58 -1.912 -23.298 7.182 1.00 0.00 C ATOM 816 C TYR A 58 -1.448 -22.119 8.041 1.00 0.00 C ATOM 817 O TYR A 58 -1.627 -20.963 7.663 1.00 0.00 O ATOM 818 CB TYR A 58 -3.089 -23.987 7.875 1.00 0.00 C ATOM 819 CG TYR A 58 -4.292 -23.072 8.114 1.00 0.00 C ATOM 820 CD1 TYR A 58 -4.990 -22.556 7.041 1.00 0.00 C ATOM 821 CD2 TYR A 58 -4.679 -22.763 9.402 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.122 -21.695 7.266 1.00 0.00 C ATOM 823 CE2 TYR A 58 -5.812 -21.902 9.627 1.00 0.00 C ATOM 824 CZ TYR A 58 -6.477 -21.411 8.547 1.00 0.00 C ATOM 825 OH TYR A 58 -7.547 -20.598 8.760 1.00 0.00 O ATOM 0 H TYR A 58 -1.149 -25.242 7.352 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.176 -22.908 6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.406 -24.837 7.271 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.752 -24.384 8.832 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.687 -22.798 6.033 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.132 -23.167 10.242 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.677 -21.284 6.435 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.126 -21.652 10.630 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.685 -20.484 9.724 1.00 0.00 H new ATOM 835 N LEU A 59 -0.862 -22.454 9.181 1.00 0.00 N ATOM 836 CA LEU A 59 -0.372 -21.438 10.097 1.00 0.00 C ATOM 837 C LEU A 59 0.687 -20.589 9.391 1.00 0.00 C ATOM 838 O LEU A 59 0.794 -19.389 9.641 1.00 0.00 O ATOM 839 CB LEU A 59 0.121 -22.080 11.396 1.00 0.00 C ATOM 840 CG LEU A 59 -0.865 -23.017 12.097 1.00 0.00 C ATOM 841 CD1 LEU A 59 -0.157 -23.864 13.156 1.00 0.00 C ATOM 842 CD2 LEU A 59 -2.043 -22.236 12.681 1.00 0.00 C ATOM 0 H LEU A 59 -0.715 -23.415 9.491 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.179 -20.766 10.387 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.031 -22.639 11.179 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.393 -21.285 12.091 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.271 -23.704 11.354 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.880 -24.521 13.639 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.619 -24.465 12.682 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.295 -23.210 13.902 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.728 -22.926 13.173 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.675 -21.511 13.406 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.567 -21.714 11.880 1.00 0.00 H new ATOM 854 N MET A 60 1.442 -21.244 8.522 1.00 0.00 N ATOM 855 CA MET A 60 2.488 -20.564 7.777 1.00 0.00 C ATOM 856 C MET A 60 1.908 -19.439 6.919 1.00 0.00 C ATOM 857 O MET A 60 2.412 -18.317 6.936 1.00 0.00 O ATOM 858 CB MET A 60 3.212 -21.570 6.879 1.00 0.00 C ATOM 859 CG MET A 60 4.700 -21.644 7.227 1.00 0.00 C ATOM 860 SD MET A 60 5.525 -22.791 6.137 1.00 0.00 S ATOM 861 CE MET A 60 5.086 -22.087 4.556 1.00 0.00 C ATOM 0 H MET A 60 1.350 -22.239 8.317 1.00 0.00 H new ATOM 0 HA MET A 60 3.189 -20.128 8.488 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.759 -22.555 6.992 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.093 -21.282 5.835 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.152 -20.656 7.139 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.824 -21.960 8.263 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.875 -22.294 3.834 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.151 -22.527 4.209 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.963 -21.009 4.659 1.00 0.00 H new ATOM 871 N ILE A 61 0.855 -19.777 6.189 1.00 0.00 N ATOM 872 CA ILE A 61 0.200 -18.809 5.325 1.00 0.00 C ATOM 873 C ILE A 61 -0.452 -17.725 6.185 1.00 0.00 C ATOM 874 O ILE A 61 -0.342 -16.537 5.883 1.00 0.00 O ATOM 875 CB ILE A 61 -0.773 -19.510 4.376 1.00 0.00 C ATOM 876 CG1 ILE A 61 -0.021 -20.340 3.334 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.726 -18.504 3.727 1.00 0.00 C ATOM 878 CD1 ILE A 61 -0.857 -21.538 2.879 1.00 0.00 C ATOM 0 H ILE A 61 0.439 -20.708 6.178 1.00 0.00 H new ATOM 0 HA ILE A 61 0.930 -18.313 4.685 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.381 -20.201 4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.224 -19.716 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.922 -20.689 3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.407 -19.028 3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.299 -17.994 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.151 -17.772 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.299 -22.111 2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.080 -22.173 3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.789 -21.185 2.437 1.00 0.00 H new ATOM 890 N GLU A 62 -1.119 -18.172 7.240 1.00 0.00 N ATOM 891 CA GLU A 62 -1.789 -17.255 8.145 1.00 0.00 C ATOM 892 C GLU A 62 -0.829 -16.148 8.587 1.00 0.00 C ATOM 893 O GLU A 62 -1.026 -14.981 8.252 1.00 0.00 O ATOM 894 CB GLU A 62 -2.362 -17.998 9.354 1.00 0.00 C ATOM 895 CG GLU A 62 -3.544 -17.237 9.956 1.00 0.00 C ATOM 896 CD GLU A 62 -3.102 -15.874 10.494 1.00 0.00 C ATOM 897 OE1 GLU A 62 -2.020 -15.835 11.119 1.00 0.00 O ATOM 898 OE2 GLU A 62 -3.856 -14.903 10.268 1.00 0.00 O ATOM 0 H GLU A 62 -1.209 -19.157 7.487 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.622 -16.796 7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.682 -18.996 9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.585 -18.126 10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.316 -17.100 9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.987 -17.824 10.761 1.00 0.00 H new ATOM 905 N GLU A 63 0.188 -16.554 9.332 1.00 0.00 N ATOM 906 CA GLU A 63 1.179 -15.611 9.822 1.00 0.00 C ATOM 907 C GLU A 63 1.481 -14.555 8.757 1.00 0.00 C ATOM 908 O GLU A 63 1.300 -13.362 8.991 1.00 0.00 O ATOM 909 CB GLU A 63 2.456 -16.333 10.256 1.00 0.00 C ATOM 910 CG GLU A 63 2.517 -16.474 11.778 1.00 0.00 C ATOM 911 CD GLU A 63 1.291 -17.220 12.310 1.00 0.00 C ATOM 912 OE1 GLU A 63 1.324 -18.468 12.266 1.00 0.00 O ATOM 913 OE2 GLU A 63 0.349 -16.524 12.747 1.00 0.00 O ATOM 0 H GLU A 63 0.347 -17.523 9.608 1.00 0.00 H new ATOM 0 HA GLU A 63 0.770 -15.108 10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.495 -17.320 9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.327 -15.781 9.903 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.424 -17.009 12.061 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.573 -15.487 12.236 1.00 0.00 H new ATOM 920 N TYR A 64 1.937 -15.034 7.608 1.00 0.00 N ATOM 921 CA TYR A 64 2.266 -14.146 6.506 1.00 0.00 C ATOM 922 C TYR A 64 1.105 -13.198 6.201 1.00 0.00 C ATOM 923 O TYR A 64 1.249 -11.981 6.307 1.00 0.00 O ATOM 924 CB TYR A 64 2.503 -15.050 5.294 1.00 0.00 C ATOM 925 CG TYR A 64 3.815 -15.835 5.350 1.00 0.00 C ATOM 926 CD1 TYR A 64 4.972 -15.216 5.778 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.841 -17.162 4.972 1.00 0.00 C ATOM 928 CE1 TYR A 64 6.206 -15.954 5.830 1.00 0.00 C ATOM 929 CE2 TYR A 64 5.076 -17.901 5.025 1.00 0.00 C ATOM 930 CZ TYR A 64 6.198 -17.261 5.451 1.00 0.00 C ATOM 931 OH TYR A 64 7.364 -17.959 5.501 1.00 0.00 O ATOM 0 H TYR A 64 2.086 -16.025 7.417 1.00 0.00 H new ATOM 0 HA TYR A 64 3.136 -13.536 6.750 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.674 -15.753 5.211 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.495 -14.439 4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.951 -14.178 6.074 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.936 -17.646 4.637 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.118 -15.481 6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.110 -18.940 4.733 1.00 0.00 H new ATOM 0 HH TYR A 64 7.207 -18.879 5.203 1.00 0.00 H new ATOM 941 N LEU A 65 -0.020 -13.790 5.827 1.00 0.00 N ATOM 942 CA LEU A 65 -1.205 -13.013 5.506 1.00 0.00 C ATOM 943 C LEU A 65 -1.326 -11.847 6.489 1.00 0.00 C ATOM 944 O LEU A 65 -1.250 -10.686 6.092 1.00 0.00 O ATOM 945 CB LEU A 65 -2.441 -13.914 5.464 1.00 0.00 C ATOM 946 CG LEU A 65 -2.569 -14.820 4.238 1.00 0.00 C ATOM 947 CD1 LEU A 65 -3.633 -15.896 4.460 1.00 0.00 C ATOM 948 CD2 LEU A 65 -2.838 -13.999 2.975 1.00 0.00 C ATOM 0 H LEU A 65 -0.136 -14.800 5.739 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.120 -12.582 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.440 -14.541 6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.328 -13.283 5.519 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.618 -15.333 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.704 -16.526 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.358 -16.508 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.597 -15.422 4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.925 -14.667 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.766 -13.440 3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.015 -13.304 2.811 1.00 0.00 H new ATOM 960 N THR A 66 -1.515 -12.198 7.753 1.00 0.00 N ATOM 961 CA THR A 66 -1.648 -11.195 8.796 1.00 0.00 C ATOM 962 C THR A 66 -0.410 -10.297 8.833 1.00 0.00 C ATOM 963 O THR A 66 -0.527 -9.073 8.864 1.00 0.00 O ATOM 964 CB THR A 66 -1.913 -11.919 10.117 1.00 0.00 C ATOM 965 OG1 THR A 66 -3.285 -12.297 10.036 1.00 0.00 O ATOM 966 CG2 THR A 66 -1.857 -10.978 11.322 1.00 0.00 C ATOM 0 H THR A 66 -1.579 -13.163 8.078 1.00 0.00 H new ATOM 0 HA THR A 66 -2.488 -10.529 8.600 1.00 0.00 H new ATOM 0 HB THR A 66 -1.183 -12.718 10.246 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.350 -13.266 9.908 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.052 -11.542 12.234 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.869 -10.522 11.382 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.610 -10.198 11.210 1.00 0.00 H new ATOM 974 N LYS A 67 0.749 -10.940 8.830 1.00 0.00 N ATOM 975 CA LYS A 67 2.007 -10.215 8.863 1.00 0.00 C ATOM 976 C LYS A 67 1.902 -8.978 7.968 1.00 0.00 C ATOM 977 O LYS A 67 2.257 -7.876 8.383 1.00 0.00 O ATOM 978 CB LYS A 67 3.169 -11.141 8.498 1.00 0.00 C ATOM 979 CG LYS A 67 3.749 -11.811 9.745 1.00 0.00 C ATOM 980 CD LYS A 67 4.786 -12.870 9.366 1.00 0.00 C ATOM 981 CE LYS A 67 5.182 -13.710 10.582 1.00 0.00 C ATOM 982 NZ LYS A 67 6.380 -14.525 10.281 1.00 0.00 N ATOM 0 H LYS A 67 0.843 -11.955 8.805 1.00 0.00 H new ATOM 0 HA LYS A 67 2.216 -9.862 9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.826 -11.903 7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.948 -10.571 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.209 -11.059 10.386 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.947 -12.272 10.321 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.382 -13.518 8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.670 -12.386 8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.383 -13.058 11.432 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.355 -14.360 10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.635 -15.089 11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.176 -15.161 9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.172 -13.899 10.031 1.00 0.00 H new ATOM 996 N GLU A 68 1.413 -9.202 6.758 1.00 0.00 N ATOM 997 CA GLU A 68 1.256 -8.120 5.801 1.00 0.00 C ATOM 998 C GLU A 68 0.237 -7.101 6.315 1.00 0.00 C ATOM 999 O GLU A 68 0.449 -5.894 6.202 1.00 0.00 O ATOM 1000 CB GLU A 68 0.850 -8.657 4.427 1.00 0.00 C ATOM 1001 CG GLU A 68 1.638 -9.920 4.077 1.00 0.00 C ATOM 1002 CD GLU A 68 3.059 -9.854 4.642 1.00 0.00 C ATOM 1003 OE1 GLU A 68 3.676 -8.776 4.500 1.00 0.00 O ATOM 1004 OE2 GLU A 68 3.496 -10.882 5.202 1.00 0.00 O ATOM 0 H GLU A 68 1.120 -10.118 6.418 1.00 0.00 H new ATOM 0 HA GLU A 68 2.217 -7.618 5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.218 -8.877 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.024 -7.894 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.125 -10.795 4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.678 -10.039 2.994 1.00 0.00 H new ATOM 1011 N LEU A 69 -0.847 -7.623 6.869 1.00 0.00 N ATOM 1012 CA LEU A 69 -1.900 -6.774 7.401 1.00 0.00 C ATOM 1013 C LEU A 69 -1.290 -5.759 8.369 1.00 0.00 C ATOM 1014 O LEU A 69 -1.429 -4.552 8.179 1.00 0.00 O ATOM 1015 CB LEU A 69 -3.012 -7.623 8.019 1.00 0.00 C ATOM 1016 CG LEU A 69 -3.897 -8.390 7.034 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.662 -9.510 7.742 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -4.834 -7.441 6.285 1.00 0.00 C ATOM 0 H LEU A 69 -1.019 -8.624 6.961 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.373 -6.206 6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.557 -8.340 8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.649 -6.972 8.618 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.253 -8.860 6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.283 -10.039 7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.954 -10.207 8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.294 -9.083 8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.452 -8.012 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.474 -6.923 6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.245 -6.711 5.730 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.626 -6.286 9.388 1.00 0.00 N ATOM 1031 CA LEU A 70 0.006 -5.442 10.387 1.00 0.00 C ATOM 1032 C LEU A 70 0.803 -4.340 9.687 1.00 0.00 C ATOM 1033 O LEU A 70 0.819 -3.196 10.139 1.00 0.00 O ATOM 1034 CB LEU A 70 0.840 -6.286 11.353 1.00 0.00 C ATOM 1035 CG LEU A 70 0.065 -6.995 12.465 1.00 0.00 C ATOM 1036 CD1 LEU A 70 -0.545 -5.985 13.438 1.00 0.00 C ATOM 1037 CD2 LEU A 70 -0.989 -7.939 11.883 1.00 0.00 C ATOM 0 H LEU A 70 -0.512 -7.288 9.543 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.748 -4.950 11.001 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.378 -7.038 10.776 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.589 -5.642 11.813 1.00 0.00 H new ATOM 0 HG LEU A 70 0.766 -7.606 13.033 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.090 -6.515 14.219 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.249 -5.390 13.890 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.229 -5.328 12.900 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.525 -8.430 12.695 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.692 -7.369 11.276 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.501 -8.691 11.263 1.00 0.00 H new ATOM 1049 N ALA A 71 1.446 -4.723 8.594 1.00 0.00 N ATOM 1050 CA ALA A 71 2.244 -3.782 7.826 1.00 0.00 C ATOM 1051 C ALA A 71 1.315 -2.831 7.068 1.00 0.00 C ATOM 1052 O ALA A 71 1.648 -1.665 6.863 1.00 0.00 O ATOM 1053 CB ALA A 71 3.181 -4.550 6.891 1.00 0.00 C ATOM 0 H ALA A 71 1.431 -5.672 8.222 1.00 0.00 H new ATOM 0 HA ALA A 71 2.866 -3.178 8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.779 -3.844 6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.840 -5.188 7.480 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.592 -5.166 6.211 1.00 0.00 H new ATOM 1059 N LEU A 72 0.169 -3.366 6.673 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.811 -2.579 5.943 1.00 0.00 C ATOM 1061 C LEU A 72 -1.340 -1.464 6.847 1.00 0.00 C ATOM 1062 O LEU A 72 -1.703 -0.391 6.367 1.00 0.00 O ATOM 1063 CB LEU A 72 -1.907 -3.483 5.374 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.589 -4.167 4.043 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.579 -5.299 3.759 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -1.539 -3.149 2.902 1.00 0.00 C ATOM 0 H LEU A 72 -0.103 -4.334 6.844 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.348 -2.097 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.133 -4.254 6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.811 -2.888 5.247 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.599 -4.616 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.331 -5.769 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.522 -6.041 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.590 -4.895 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.311 -3.661 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.505 -2.650 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.766 -2.409 3.108 1.00 0.00 H new ATOM 1078 N ASP A 73 -1.367 -1.756 8.139 1.00 0.00 N ATOM 1079 CA ASP A 73 -1.845 -0.791 9.114 1.00 0.00 C ATOM 1080 C ASP A 73 -0.656 -0.014 9.682 1.00 0.00 C ATOM 1081 O ASP A 73 -0.831 1.054 10.268 1.00 0.00 O ATOM 1082 CB ASP A 73 -2.553 -1.489 10.277 1.00 0.00 C ATOM 1083 CG ASP A 73 -3.653 -0.667 10.952 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -4.798 -0.735 10.456 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -3.323 0.011 11.949 1.00 0.00 O ATOM 0 H ASP A 73 -1.066 -2.647 8.533 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.546 -0.124 8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.988 -2.419 9.912 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.809 -1.758 11.027 1.00 0.00 H new ATOM 1090 N SER A 74 0.526 -0.579 9.488 1.00 0.00 N ATOM 1091 CA SER A 74 1.744 0.048 9.974 1.00 0.00 C ATOM 1092 C SER A 74 1.934 1.410 9.304 1.00 0.00 C ATOM 1093 O SER A 74 2.349 2.371 9.950 1.00 0.00 O ATOM 1094 CB SER A 74 2.961 -0.843 9.720 1.00 0.00 C ATOM 1095 OG SER A 74 4.171 -0.232 10.160 1.00 0.00 O ATOM 0 H SER A 74 0.667 -1.464 9.001 1.00 0.00 H new ATOM 0 HA SER A 74 1.650 0.190 11.051 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.827 -1.795 10.235 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.033 -1.064 8.655 1.00 0.00 H new ATOM 0 HG SER A 74 4.924 -0.833 9.982 1.00 0.00 H new ATOM 1101 N VAL A 75 1.621 1.450 8.017 1.00 0.00 N ATOM 1102 CA VAL A 75 1.752 2.679 7.253 1.00 0.00 C ATOM 1103 C VAL A 75 0.825 3.744 7.844 1.00 0.00 C ATOM 1104 O VAL A 75 -0.274 3.431 8.299 1.00 0.00 O ATOM 1105 CB VAL A 75 1.480 2.406 5.772 1.00 0.00 C ATOM 1106 CG1 VAL A 75 2.274 1.192 5.284 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -0.017 2.222 5.514 1.00 0.00 C ATOM 0 H VAL A 75 1.277 0.651 7.484 1.00 0.00 H new ATOM 0 HA VAL A 75 2.770 3.062 7.318 1.00 0.00 H new ATOM 0 HB VAL A 75 1.813 3.275 5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.063 1.019 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.340 1.378 5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.985 0.313 5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.183 2.029 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.386 1.379 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.550 3.127 5.806 1.00 0.00 H new ATOM 1117 N ASP A 76 1.304 4.979 7.819 1.00 0.00 N ATOM 1118 CA ASP A 76 0.532 6.091 8.347 1.00 0.00 C ATOM 1119 C ASP A 76 0.119 7.011 7.196 1.00 0.00 C ATOM 1120 O ASP A 76 0.971 7.578 6.514 1.00 0.00 O ATOM 1121 CB ASP A 76 1.359 6.914 9.337 1.00 0.00 C ATOM 1122 CG ASP A 76 0.787 6.986 10.754 1.00 0.00 C ATOM 1123 OD1 ASP A 76 -0.414 6.671 10.898 1.00 0.00 O ATOM 1124 OD2 ASP A 76 1.564 7.353 11.662 1.00 0.00 O ATOM 0 H ASP A 76 2.217 5.234 7.442 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.341 5.684 8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.363 6.492 9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.458 7.928 8.950 1.00 0.00 H new ATOM 1129 N PRO A 77 -1.223 7.133 7.012 1.00 0.00 N ATOM 1130 CA PRO A 77 -1.759 7.975 5.955 1.00 0.00 C ATOM 1131 C PRO A 77 -1.639 9.456 6.320 1.00 0.00 C ATOM 1132 O PRO A 77 -1.681 10.320 5.445 1.00 0.00 O ATOM 1133 CB PRO A 77 -3.199 7.520 5.783 1.00 0.00 C ATOM 1134 CG PRO A 77 -3.553 6.767 7.055 1.00 0.00 C ATOM 1135 CD PRO A 77 -2.261 6.477 7.800 1.00 0.00 C ATOM 0 HA PRO A 77 -1.210 7.877 5.019 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.863 8.372 5.636 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.304 6.879 4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.226 7.360 7.675 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.073 5.839 6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.294 6.869 8.816 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.081 5.405 7.878 1.00 0.00 H new ATOM 1143 N GLU A 78 -1.493 9.704 7.613 1.00 0.00 N ATOM 1144 CA GLU A 78 -1.367 11.066 8.105 1.00 0.00 C ATOM 1145 C GLU A 78 -2.730 11.760 8.099 1.00 0.00 C ATOM 1146 O GLU A 78 -3.273 12.080 9.156 1.00 0.00 O ATOM 1147 CB GLU A 78 -0.347 11.854 7.281 1.00 0.00 C ATOM 1148 CG GLU A 78 0.936 11.044 7.077 1.00 0.00 C ATOM 1149 CD GLU A 78 2.088 11.947 6.629 1.00 0.00 C ATOM 1150 OE1 GLU A 78 2.205 12.149 5.401 1.00 0.00 O ATOM 1151 OE2 GLU A 78 2.825 12.413 7.524 1.00 0.00 O ATOM 0 H GLU A 78 -1.459 8.985 8.336 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.004 11.029 9.132 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.777 12.111 6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.113 12.792 7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.204 10.540 8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.766 10.268 6.331 1.00 0.00 H new ATOM 1158 N GLY A 79 -3.245 11.974 6.897 1.00 0.00 N ATOM 1159 CA GLY A 79 -4.534 12.625 6.740 1.00 0.00 C ATOM 1160 C GLY A 79 -4.976 12.620 5.275 1.00 0.00 C ATOM 1161 O GLY A 79 -5.626 13.558 4.816 1.00 0.00 O ATOM 0 H GLY A 79 -2.792 11.708 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.280 12.115 7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.474 13.651 7.102 1.00 0.00 H new ATOM 1165 N ARG A 80 -4.605 11.553 4.582 1.00 0.00 N ATOM 1166 CA ARG A 80 -4.955 11.414 3.178 1.00 0.00 C ATOM 1167 C ARG A 80 -5.909 10.233 2.983 1.00 0.00 C ATOM 1168 O ARG A 80 -5.961 9.330 3.816 1.00 0.00 O ATOM 1169 CB ARG A 80 -3.708 11.201 2.318 1.00 0.00 C ATOM 1170 CG ARG A 80 -2.838 12.460 2.292 1.00 0.00 C ATOM 1171 CD ARG A 80 -1.530 12.238 3.053 1.00 0.00 C ATOM 1172 NE ARG A 80 -0.382 12.660 2.220 1.00 0.00 N ATOM 1173 CZ ARG A 80 0.865 12.192 2.368 1.00 0.00 C ATOM 1174 NH1 ARG A 80 1.133 11.284 3.316 1.00 0.00 N ATOM 1175 NH2 ARG A 80 1.845 12.632 1.566 1.00 0.00 N ATOM 0 H ARG A 80 -4.066 10.777 4.966 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.445 12.336 2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.130 10.364 2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.003 10.937 1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.620 12.735 1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.384 13.293 2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.541 12.804 3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.429 11.186 3.320 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.550 13.350 1.488 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.388 10.948 3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.082 10.928 3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.641 13.323 0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.794 12.276 1.678 1.00 0.00 H new ATOM 1189 N ALA A 81 -6.639 10.280 1.878 1.00 0.00 N ATOM 1190 CA ALA A 81 -7.587 9.225 1.564 1.00 0.00 C ATOM 1191 C ALA A 81 -6.924 8.210 0.630 1.00 0.00 C ATOM 1192 O ALA A 81 -7.081 7.003 0.808 1.00 0.00 O ATOM 1193 CB ALA A 81 -8.850 9.839 0.955 1.00 0.00 C ATOM 0 H ALA A 81 -6.593 11.032 1.190 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.885 8.695 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.562 9.048 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.299 10.530 1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.590 10.377 0.043 1.00 0.00 H new ATOM 1199 N ASP A 82 -6.197 8.737 -0.344 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.509 7.892 -1.305 1.00 0.00 C ATOM 1201 C ASP A 82 -4.683 6.844 -0.557 1.00 0.00 C ATOM 1202 O ASP A 82 -4.654 5.677 -0.946 1.00 0.00 O ATOM 1203 CB ASP A 82 -4.556 8.712 -2.177 1.00 0.00 C ATOM 1204 CG ASP A 82 -5.067 9.016 -3.586 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -6.240 8.673 -3.850 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -4.274 9.584 -4.368 1.00 0.00 O ATOM 0 H ASP A 82 -6.069 9.739 -0.488 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.261 7.420 -1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.346 9.655 -1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.610 8.176 -2.258 1.00 0.00 H new ATOM 1211 N VAL A 83 -4.030 7.298 0.503 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.205 6.414 1.309 1.00 0.00 C ATOM 1213 C VAL A 83 -4.104 5.434 2.065 1.00 0.00 C ATOM 1214 O VAL A 83 -3.939 4.220 1.952 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.305 7.236 2.233 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.320 6.337 2.983 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -1.568 8.327 1.453 1.00 0.00 C ATOM 0 H VAL A 83 -4.056 8.266 0.822 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.543 5.824 0.674 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.941 7.724 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.692 6.947 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.872 5.615 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.693 5.807 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.935 8.897 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.950 7.868 0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.293 8.995 0.988 1.00 0.00 H new ATOM 1227 N ARG A 84 -5.035 5.997 2.821 1.00 0.00 N ATOM 1228 CA ARG A 84 -5.960 5.188 3.596 1.00 0.00 C ATOM 1229 C ARG A 84 -6.646 4.157 2.697 1.00 0.00 C ATOM 1230 O ARG A 84 -6.725 2.980 3.045 1.00 0.00 O ATOM 1231 CB ARG A 84 -7.026 6.059 4.266 1.00 0.00 C ATOM 1232 CG ARG A 84 -6.450 6.795 5.477 1.00 0.00 C ATOM 1233 CD ARG A 84 -7.464 7.788 6.048 1.00 0.00 C ATOM 1234 NE ARG A 84 -8.567 7.060 6.713 1.00 0.00 N ATOM 1235 CZ ARG A 84 -9.482 7.641 7.502 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -9.431 8.960 7.728 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -10.448 6.901 8.064 1.00 0.00 N ATOM 0 H ARG A 84 -5.169 7.004 2.913 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.386 4.677 4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.415 6.781 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.865 5.437 4.579 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.169 6.075 6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.541 7.323 5.188 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.974 8.452 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.861 8.415 5.249 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.636 6.054 6.562 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.696 9.523 7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.127 9.402 8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.487 5.896 7.891 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.144 7.342 8.664 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.123 4.636 1.558 1.00 0.00 N ATOM 1252 CA GLN A 85 -7.799 3.771 0.606 1.00 0.00 C ATOM 1253 C GLN A 85 -7.026 2.461 0.438 1.00 0.00 C ATOM 1254 O GLN A 85 -7.545 1.387 0.737 1.00 0.00 O ATOM 1255 CB GLN A 85 -7.985 4.475 -0.739 1.00 0.00 C ATOM 1256 CG GLN A 85 -9.181 3.898 -1.499 1.00 0.00 C ATOM 1257 CD GLN A 85 -9.921 4.993 -2.270 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -9.705 6.178 -2.076 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -10.804 4.532 -3.152 1.00 0.00 N ATOM 0 H GLN A 85 -7.055 5.613 1.273 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.790 3.538 0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.133 5.543 -0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.081 4.366 -1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.840 3.128 -2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.864 3.417 -0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.935 3.527 -3.264 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.349 5.184 -3.716 1.00 0.00 H new ATOM 1268 N ALA A 86 -5.797 2.594 -0.040 1.00 0.00 N ATOM 1269 CA ALA A 86 -4.948 1.434 -0.252 1.00 0.00 C ATOM 1270 C ALA A 86 -4.711 0.730 1.086 1.00 0.00 C ATOM 1271 O ALA A 86 -4.869 -0.486 1.187 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.642 1.873 -0.919 1.00 0.00 C ATOM 0 H ALA A 86 -5.369 3.487 -0.286 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.432 0.720 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.005 1.003 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.863 2.342 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.127 2.587 -0.276 1.00 0.00 H new ATOM 1278 N ARG A 87 -4.337 1.523 2.078 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.077 0.991 3.405 1.00 0.00 C ATOM 1280 C ARG A 87 -5.308 0.248 3.929 1.00 0.00 C ATOM 1281 O ARG A 87 -5.206 -0.552 4.858 1.00 0.00 O ATOM 1282 CB ARG A 87 -3.708 2.107 4.384 1.00 0.00 C ATOM 1283 CG ARG A 87 -3.791 1.617 5.831 1.00 0.00 C ATOM 1284 CD ARG A 87 -2.775 2.343 6.715 1.00 0.00 C ATOM 1285 NE ARG A 87 -3.360 2.606 8.048 1.00 0.00 N ATOM 1286 CZ ARG A 87 -4.475 3.322 8.251 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -5.131 3.850 7.209 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -4.933 3.509 9.496 1.00 0.00 N ATOM 0 H ARG A 87 -4.208 2.531 1.990 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.237 0.301 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.699 2.461 4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.379 2.955 4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.797 1.781 6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.607 0.543 5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.873 1.740 6.817 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.479 3.282 6.247 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.885 2.218 8.863 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.782 3.707 6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.979 4.395 7.363 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.433 3.107 10.289 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.781 4.054 9.651 1.00 0.00 H new ATOM 1302 N ARG A 88 -6.443 0.540 3.311 1.00 0.00 N ATOM 1303 CA ARG A 88 -7.692 -0.090 3.704 1.00 0.00 C ATOM 1304 C ARG A 88 -8.042 -1.223 2.737 1.00 0.00 C ATOM 1305 O ARG A 88 -8.594 -2.244 3.145 1.00 0.00 O ATOM 1306 CB ARG A 88 -8.837 0.924 3.726 1.00 0.00 C ATOM 1307 CG ARG A 88 -10.195 0.219 3.675 1.00 0.00 C ATOM 1308 CD ARG A 88 -11.340 1.234 3.695 1.00 0.00 C ATOM 1309 NE ARG A 88 -12.203 1.000 4.874 1.00 0.00 N ATOM 1310 CZ ARG A 88 -13.441 1.494 5.008 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -13.970 2.251 4.037 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -14.152 1.230 6.114 1.00 0.00 N ATOM 0 H ARG A 88 -6.524 1.204 2.541 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.559 -0.493 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -8.772 1.531 4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.743 1.602 2.878 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.259 -0.390 2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.289 -0.458 4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.939 2.247 3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.928 1.149 2.781 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.832 0.427 5.632 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.430 2.451 3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.913 2.627 4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.750 0.653 6.853 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.095 1.606 6.216 1.00 0.00 H new ATOM 1326 N ASP A 89 -7.707 -1.005 1.474 1.00 0.00 N ATOM 1327 CA ASP A 89 -7.979 -1.995 0.446 1.00 0.00 C ATOM 1328 C ASP A 89 -7.092 -3.220 0.677 1.00 0.00 C ATOM 1329 O ASP A 89 -7.592 -4.311 0.947 1.00 0.00 O ATOM 1330 CB ASP A 89 -7.668 -1.442 -0.947 1.00 0.00 C ATOM 1331 CG ASP A 89 -8.236 -2.260 -2.108 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -7.841 -3.441 -2.218 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -9.053 -1.686 -2.860 1.00 0.00 O ATOM 0 H ASP A 89 -7.250 -0.157 1.139 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.035 -2.258 0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.057 -0.426 -1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.586 -1.377 -1.063 1.00 0.00 H new ATOM 1338 N GLY A 90 -5.791 -3.000 0.561 1.00 0.00 N ATOM 1339 CA GLY A 90 -4.830 -4.072 0.754 1.00 0.00 C ATOM 1340 C GLY A 90 -5.188 -4.916 1.979 1.00 0.00 C ATOM 1341 O GLY A 90 -4.925 -6.117 2.009 1.00 0.00 O ATOM 0 H GLY A 90 -5.380 -2.094 0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.803 -4.705 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.831 -3.652 0.876 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.783 -4.253 2.960 1.00 0.00 N ATOM 1346 CA VAL A 91 -6.180 -4.927 4.185 1.00 0.00 C ATOM 1347 C VAL A 91 -7.366 -5.849 3.894 1.00 0.00 C ATOM 1348 O VAL A 91 -7.330 -7.034 4.219 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.477 -3.897 5.276 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -7.065 -4.569 6.519 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -5.223 -3.094 5.629 1.00 0.00 C ATOM 0 H VAL A 91 -6.000 -3.257 2.932 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.368 -5.551 4.558 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.221 -3.202 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.267 -3.815 7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.993 -5.075 6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.354 -5.297 6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.462 -2.369 6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.447 -3.770 5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.865 -2.570 4.743 1.00 0.00 H new ATOM 1361 N ARG A 92 -8.389 -5.268 3.284 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.584 -6.023 2.945 1.00 0.00 C ATOM 1363 C ARG A 92 -9.227 -7.206 2.043 1.00 0.00 C ATOM 1364 O ARG A 92 -9.949 -8.200 2.002 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.610 -5.139 2.233 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.844 -4.916 3.110 1.00 0.00 C ATOM 1367 CD ARG A 92 -13.117 -4.865 2.262 1.00 0.00 C ATOM 1368 NE ARG A 92 -14.277 -4.519 3.112 1.00 0.00 N ATOM 1369 CZ ARG A 92 -14.642 -3.265 3.412 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -13.939 -2.230 2.933 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -15.710 -3.046 4.192 1.00 0.00 N ATOM 0 H ARG A 92 -8.415 -4.284 3.016 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.019 -6.389 3.875 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.158 -4.179 1.984 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.907 -5.605 1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.923 -5.718 3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.736 -3.985 3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.005 -4.128 1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.283 -5.829 1.781 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.834 -5.283 3.494 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.126 -2.397 2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.217 -1.275 3.161 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -16.245 -3.834 4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.988 -2.091 4.420 1.00 0.00 H new ATOM 1385 N LYS A 93 -8.112 -7.058 1.341 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.651 -8.102 0.442 1.00 0.00 C ATOM 1387 C LYS A 93 -7.274 -9.341 1.257 1.00 0.00 C ATOM 1388 O LYS A 93 -7.923 -10.380 1.149 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.518 -7.582 -0.446 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.736 -8.739 -1.070 1.00 0.00 C ATOM 1391 CD LYS A 93 -6.558 -9.434 -2.157 1.00 0.00 C ATOM 1392 CE LYS A 93 -5.791 -10.616 -2.753 1.00 0.00 C ATOM 1393 NZ LYS A 93 -5.330 -10.298 -4.123 1.00 0.00 N ATOM 0 H LYS A 93 -7.515 -6.231 1.377 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.449 -8.398 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.929 -6.950 -1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.845 -6.960 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.805 -8.365 -1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.466 -9.459 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.502 -9.783 -1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.803 -8.721 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.936 -10.857 -2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.430 -11.498 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.496 -10.876 -4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.091 -10.503 -4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.078 -9.290 -4.180 1.00 0.00 H new ATOM 1407 N VAL A 94 -6.226 -9.190 2.053 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.755 -10.283 2.886 1.00 0.00 C ATOM 1409 C VAL A 94 -6.948 -10.935 3.588 1.00 0.00 C ATOM 1410 O VAL A 94 -7.115 -12.152 3.536 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.690 -9.777 3.861 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -3.994 -10.944 4.566 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.675 -8.882 3.149 1.00 0.00 C ATOM 0 H VAL A 94 -5.689 -8.327 2.139 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.279 -11.050 2.276 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.190 -9.176 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.242 -10.557 5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.730 -11.524 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.514 -11.583 3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.929 -8.536 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.183 -9.448 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.188 -8.023 2.716 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.747 -10.094 4.229 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.920 -10.573 4.941 1.00 0.00 C ATOM 1425 C GLN A 95 -9.665 -11.610 4.099 1.00 0.00 C ATOM 1426 O GLN A 95 -9.982 -12.696 4.582 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.841 -9.413 5.323 1.00 0.00 C ATOM 1428 CG GLN A 95 -9.188 -8.520 6.380 1.00 0.00 C ATOM 1429 CD GLN A 95 -10.242 -7.890 7.293 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -11.417 -7.819 6.971 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -9.759 -7.439 8.447 1.00 0.00 N ATOM 0 H GLN A 95 -7.605 -9.085 4.270 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.591 -11.051 5.864 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.075 -8.823 4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.785 -9.803 5.704 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.490 -9.107 6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.609 -7.736 5.892 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.764 -7.530 8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.383 -7.002 9.125 1.00 0.00 H new ATOM 1440 N THR A 96 -9.924 -11.239 2.854 1.00 0.00 N ATOM 1441 CA THR A 96 -10.627 -12.124 1.940 1.00 0.00 C ATOM 1442 C THR A 96 -9.860 -13.437 1.774 1.00 0.00 C ATOM 1443 O THR A 96 -10.462 -14.490 1.570 1.00 0.00 O ATOM 1444 CB THR A 96 -10.838 -11.373 0.624 1.00 0.00 C ATOM 1445 OG1 THR A 96 -11.837 -10.404 0.933 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.487 -12.247 -0.452 1.00 0.00 C ATOM 0 H THR A 96 -9.660 -10.338 2.456 1.00 0.00 H new ATOM 0 HA THR A 96 -11.605 -12.403 2.332 1.00 0.00 H new ATOM 0 HB THR A 96 -9.880 -11.002 0.261 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.409 -9.590 1.271 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.614 -11.666 -1.365 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.849 -13.107 -0.655 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.460 -12.591 -0.103 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.542 -13.332 1.867 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.687 -14.498 1.729 1.00 0.00 C ATOM 1456 C ILE A 97 -7.842 -15.388 2.964 1.00 0.00 C ATOM 1457 O ILE A 97 -7.878 -16.612 2.851 1.00 0.00 O ATOM 1458 CB ILE A 97 -6.242 -14.073 1.456 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -6.180 -13.027 0.342 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -5.362 -15.288 1.152 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -4.757 -12.490 0.172 1.00 0.00 C ATOM 0 H ILE A 97 -8.046 -12.457 2.036 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.990 -15.092 0.867 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.846 -13.606 2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.520 -13.468 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.858 -12.205 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.340 -14.959 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.372 -15.967 2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.746 -15.805 0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.741 -11.748 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.429 -12.028 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.086 -13.311 -0.082 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.931 -14.738 4.115 1.00 0.00 N ATOM 1474 CA LEU A 98 -8.082 -15.455 5.370 1.00 0.00 C ATOM 1475 C LEU A 98 -9.405 -16.224 5.356 1.00 0.00 C ATOM 1476 O LEU A 98 -9.439 -17.412 5.676 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.940 -14.498 6.555 1.00 0.00 C ATOM 1478 CG LEU A 98 -6.513 -14.249 7.049 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.753 -15.566 7.216 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.776 -13.275 6.127 1.00 0.00 C ATOM 0 H LEU A 98 -7.901 -13.722 4.205 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.286 -16.190 5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.380 -13.540 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.528 -14.890 7.385 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.568 -13.782 8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.742 -15.361 7.568 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.269 -16.194 7.942 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.706 -16.083 6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.765 -13.115 6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.730 -13.691 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.308 -12.324 6.102 1.00 0.00 H new ATOM 1492 N GLU A 99 -10.461 -15.516 4.983 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.782 -16.118 4.924 1.00 0.00 C ATOM 1494 C GLU A 99 -11.803 -17.252 3.897 1.00 0.00 C ATOM 1495 O GLU A 99 -12.661 -18.132 3.956 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.848 -15.068 4.604 1.00 0.00 C ATOM 1497 CG GLU A 99 -13.985 -15.112 5.627 1.00 0.00 C ATOM 1498 CD GLU A 99 -15.317 -14.722 4.983 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -15.286 -13.825 4.114 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -16.337 -15.329 5.376 1.00 0.00 O ATOM 0 H GLU A 99 -10.429 -14.531 4.719 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.014 -16.537 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.397 -14.076 4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -13.246 -15.242 3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.061 -16.114 6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.763 -14.435 6.452 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.849 -17.195 2.980 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.748 -18.206 1.941 1.00 0.00 C ATOM 1509 C LYS A 100 -9.850 -19.344 2.430 1.00 0.00 C ATOM 1510 O LYS A 100 -10.211 -20.515 2.322 1.00 0.00 O ATOM 1511 CB LYS A 100 -10.284 -17.578 0.625 1.00 0.00 C ATOM 1512 CG LYS A 100 -10.161 -18.636 -0.473 1.00 0.00 C ATOM 1513 CD LYS A 100 -10.293 -18.003 -1.860 1.00 0.00 C ATOM 1514 CE LYS A 100 -8.952 -17.440 -2.336 1.00 0.00 C ATOM 1515 NZ LYS A 100 -8.196 -18.467 -3.087 1.00 0.00 N ATOM 0 H LYS A 100 -10.139 -16.464 2.935 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.727 -18.638 1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.991 -16.808 0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.322 -17.087 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.199 -19.142 -0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.932 -19.395 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.652 -18.748 -2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.036 -17.206 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.121 -16.569 -2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.368 -17.103 -1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.177 -18.335 -2.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.478 -19.413 -2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.401 -18.376 -4.102 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.696 -18.960 2.957 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.744 -19.934 3.463 1.00 0.00 C ATOM 1531 C LEU A 101 -8.493 -21.017 4.242 1.00 0.00 C ATOM 1532 O LEU A 101 -8.373 -22.202 3.935 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.647 -19.240 4.274 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.303 -19.967 4.344 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -4.649 -19.779 5.714 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -5.459 -21.445 3.981 1.00 0.00 C ATOM 0 H LEU A 101 -8.399 -17.988 3.044 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.233 -20.431 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.480 -18.250 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.012 -19.094 5.291 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.636 -19.523 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.695 -20.306 5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.482 -18.717 5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -5.304 -20.180 6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.489 -21.938 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.149 -21.920 4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.850 -21.531 2.967 1.00 0.00 H new ATOM 1548 N GLU A 102 -9.249 -20.571 5.234 1.00 0.00 N ATOM 1549 CA GLU A 102 -10.017 -21.487 6.060 1.00 0.00 C ATOM 1550 C GLU A 102 -10.762 -22.495 5.182 1.00 0.00 C ATOM 1551 O GLU A 102 -10.386 -23.665 5.117 1.00 0.00 O ATOM 1552 CB GLU A 102 -10.988 -20.727 6.965 1.00 0.00 C ATOM 1553 CG GLU A 102 -10.245 -19.709 7.833 1.00 0.00 C ATOM 1554 CD GLU A 102 -11.011 -18.387 7.904 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -12.259 -18.453 7.895 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -10.331 -17.340 7.967 1.00 0.00 O ATOM 0 H GLU A 102 -9.346 -19.587 5.485 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.326 -22.033 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.734 -20.216 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.524 -21.431 7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.112 -20.111 8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.249 -19.535 7.425 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.805 -22.005 4.528 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.606 -22.848 3.657 1.00 0.00 C ATOM 1565 C GLN A 103 -11.706 -23.801 2.866 1.00 0.00 C ATOM 1566 O GLN A 103 -11.995 -24.992 2.764 1.00 0.00 O ATOM 1567 CB GLN A 103 -13.469 -22.003 2.717 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.796 -21.630 3.380 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.380 -20.359 2.760 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -14.864 -19.813 1.799 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -16.482 -19.920 3.362 1.00 0.00 N ATOM 0 H GLN A 103 -12.114 -21.034 4.584 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.277 -23.443 4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.930 -21.097 2.438 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.660 -22.556 1.797 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.505 -22.451 3.271 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.643 -21.481 4.449 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.862 -20.425 4.163 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -16.947 -19.078 3.023 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.634 -23.240 2.327 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.690 -24.024 1.548 1.00 0.00 C ATOM 1582 C LYS A 104 -9.207 -25.210 2.386 1.00 0.00 C ATOM 1583 O LYS A 104 -9.199 -26.346 1.913 1.00 0.00 O ATOM 1584 CB LYS A 104 -8.557 -23.137 1.028 1.00 0.00 C ATOM 1585 CG LYS A 104 -9.111 -21.883 0.348 1.00 0.00 C ATOM 1586 CD LYS A 104 -8.863 -21.923 -1.161 1.00 0.00 C ATOM 1587 CE LYS A 104 -9.357 -23.240 -1.763 1.00 0.00 C ATOM 1588 NZ LYS A 104 -9.478 -23.125 -3.234 1.00 0.00 N ATOM 0 H LYS A 104 -10.398 -22.252 2.414 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.175 -24.434 0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.907 -22.850 1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.946 -23.698 0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.180 -21.802 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.641 -20.996 0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.373 -21.087 -1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.798 -21.804 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.665 -24.044 -1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.323 -23.504 -1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.814 -24.028 -3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.155 -22.372 -3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.549 -22.895 -3.642 1.00 0.00 H new ATOM 1602 N ALA A 105 -8.816 -24.906 3.614 1.00 0.00 N ATOM 1603 CA ALA A 105 -8.333 -25.933 4.522 1.00 0.00 C ATOM 1604 C ALA A 105 -9.481 -26.886 4.864 1.00 0.00 C ATOM 1605 O ALA A 105 -9.280 -28.096 4.959 1.00 0.00 O ATOM 1606 CB ALA A 105 -7.732 -25.275 5.765 1.00 0.00 C ATOM 0 H ALA A 105 -8.824 -23.963 4.002 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.545 -26.521 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.370 -26.046 6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.903 -24.632 5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.495 -24.678 6.265 1.00 0.00 H new ATOM 1612 N SER A 106 -10.658 -26.304 5.040 1.00 0.00 N ATOM 1613 CA SER A 106 -11.837 -27.086 5.370 1.00 0.00 C ATOM 1614 C SER A 106 -12.435 -27.693 4.099 1.00 0.00 C ATOM 1615 O SER A 106 -13.489 -28.326 4.145 1.00 0.00 O ATOM 1616 CB SER A 106 -12.881 -26.232 6.091 1.00 0.00 C ATOM 1617 OG SER A 106 -13.917 -27.025 6.663 1.00 0.00 O ATOM 0 H SER A 106 -10.820 -25.300 4.960 1.00 0.00 H new ATOM 0 HA SER A 106 -11.537 -27.889 6.043 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.395 -25.650 6.875 1.00 0.00 H new ATOM 0 HB3 SER A 106 -13.315 -25.520 5.389 1.00 0.00 H new ATOM 0 HG SER A 106 -14.103 -27.790 6.080 1.00 0.00 H new