USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 802 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 52 GLN : amide:sc= 1.44 K(o=2.7,f=-0.56) USER MOD Set 1.2: A 116 THR OG1 : rot -148:sc= 1.25 USER MOD Set 2.1: A 70 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Set 2.2: A 97 SER OG : rot 150:sc= 0 USER MOD Set 3.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 39 GLN : amide:sc= -1.85! C(o=-1.8!,f=-4.4!) USER MOD Single : A 21 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.34) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 24 HIS : no HD1:sc=-0.00233 X(o=-0.0023,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -3.22! C(o=-3.2!,f=-4.3!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.9!) USER MOD Single : A 44 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.7!) USER MOD Single : A 46 ASN : amide:sc= -0.122 K(o=-0.12,f=-0.64) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.164 (180deg=-0.546) USER MOD Single : A 48 SER OG : rot 180:sc= -1.82! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0.0522 (180deg=-0.234) USER MOD Single : A 63 CYS SG : rot 64:sc= 0.589 USER MOD Single : A 65 MET CE :methyl -107:sc= -0.308 (180deg=-1.51) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= -0.145 (180deg=-0.485) USER MOD Single : A 89 ASN : amide:sc= -1.18 X(o=-1.2,f=-0.83) USER MOD Single : A 90 TYR OH : rot -144:sc= 1.07 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 95 THR OG1 : rot 66:sc= 1.23 USER MOD Single : A 98 LYS NZ :NH3+ -179:sc= 0.532 (180deg=0.503) USER MOD Single : A 102 LYS NZ :NH3+ -167:sc= -0.0184 (180deg=-0.184) USER MOD Single : A 105 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0207) USER MOD Single : A 107 THR OG1 : rot 73:sc= 0.327 USER MOD Single : A 109 GLN : amide:sc= -1.79! C(o=-1.8!,f=-7.2!) USER MOD Single : A 110 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.13) USER MOD Single : A 112 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00424) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.0106 K(o=-0.011,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 297 N LEU A 18 0.993 17.500 0.063 1.00 0.00 N ATOM 298 CA LEU A 18 0.079 16.375 -0.062 1.00 0.00 C ATOM 299 C LEU A 18 0.661 15.349 -1.016 1.00 0.00 C ATOM 300 O LEU A 18 0.669 14.147 -0.738 1.00 0.00 O ATOM 301 CB LEU A 18 -1.307 16.818 -0.565 1.00 0.00 C ATOM 302 CG LEU A 18 -2.097 17.816 0.311 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.026 17.441 1.783 1.00 0.00 C ATOM 304 CD2 LEU A 18 -1.630 19.248 0.078 1.00 0.00 C ATOM 0 HA LEU A 18 -0.048 15.937 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.180 17.263 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.919 15.926 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.143 17.759 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.592 18.164 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.449 16.447 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.986 17.443 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.205 19.926 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.572 19.331 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.778 19.513 -0.969 1.00 0.00 H new ATOM 316 N ILE A 19 1.165 15.837 -2.137 1.00 0.00 N ATOM 317 CA ILE A 19 1.766 14.981 -3.131 1.00 0.00 C ATOM 318 C ILE A 19 3.060 14.357 -2.624 1.00 0.00 C ATOM 319 O ILE A 19 3.347 13.218 -2.938 1.00 0.00 O ATOM 320 CB ILE A 19 1.992 15.725 -4.475 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.651 15.953 -5.159 1.00 0.00 C ATOM 322 CG2 ILE A 19 2.922 14.942 -5.403 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.086 14.660 -5.468 1.00 0.00 C ATOM 0 H ILE A 19 1.167 16.828 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 19 1.060 14.172 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 19 2.468 16.682 -4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.026 16.578 -4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.811 16.504 -6.086 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.057 15.494 -6.333 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.889 14.806 -4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.484 13.967 -5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.034 14.889 -5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.522 14.044 -6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.276 14.119 -4.541 1.00 0.00 H new ATOM 335 N GLU A 20 3.825 15.096 -1.815 1.00 0.00 N ATOM 336 CA GLU A 20 5.061 14.551 -1.243 1.00 0.00 C ATOM 337 C GLU A 20 4.766 13.281 -0.447 1.00 0.00 C ATOM 338 O GLU A 20 5.498 12.291 -0.538 1.00 0.00 O ATOM 339 CB GLU A 20 5.767 15.567 -0.341 1.00 0.00 C ATOM 340 CG GLU A 20 6.485 16.694 -1.076 1.00 0.00 C ATOM 341 CD GLU A 20 7.300 17.559 -0.126 1.00 0.00 C ATOM 342 OE1 GLU A 20 7.353 17.219 1.082 1.00 0.00 O ATOM 343 OE2 GLU A 20 7.885 18.577 -0.577 1.00 0.00 O ATOM 0 H GLU A 20 3.616 16.057 -1.544 1.00 0.00 H new ATOM 0 HA GLU A 20 5.725 14.316 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.031 16.005 0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.492 15.038 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.142 16.272 -1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.753 17.314 -1.595 1.00 0.00 H new ATOM 350 N GLN A 21 3.678 13.310 0.320 1.00 0.00 N ATOM 351 CA GLN A 21 3.279 12.161 1.119 1.00 0.00 C ATOM 352 C GLN A 21 2.845 10.996 0.232 1.00 0.00 C ATOM 353 O GLN A 21 3.345 9.878 0.370 1.00 0.00 O ATOM 354 CB GLN A 21 2.157 12.541 2.085 1.00 0.00 C ATOM 355 CG GLN A 21 2.602 13.468 3.208 1.00 0.00 C ATOM 356 CD GLN A 21 3.621 12.817 4.128 1.00 0.00 C ATOM 357 OE1 GLN A 21 4.828 12.906 3.906 1.00 0.00 O ATOM 358 NE2 GLN A 21 3.142 12.154 5.160 1.00 0.00 N ATOM 0 H GLN A 21 3.060 14.117 0.403 1.00 0.00 H new ATOM 0 HA GLN A 21 4.145 11.841 1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.355 13.022 1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.741 11.632 2.520 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.030 14.374 2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.732 13.772 3.791 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.134 12.103 5.310 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.779 11.691 5.809 1.00 0.00 H new ATOM 367 N ALA A 22 1.911 11.273 -0.686 1.00 0.00 N ATOM 368 CA ALA A 22 1.421 10.265 -1.627 1.00 0.00 C ATOM 369 C ALA A 22 2.555 9.660 -2.436 1.00 0.00 C ATOM 370 O ALA A 22 2.670 8.444 -2.556 1.00 0.00 O ATOM 371 CB ALA A 22 0.384 10.874 -2.563 1.00 0.00 C ATOM 0 H ALA A 22 1.480 12.191 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 22 0.958 9.468 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.029 10.112 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.455 11.253 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.836 11.693 -3.123 1.00 0.00 H new ATOM 377 N ASN A 23 3.395 10.537 -2.968 1.00 0.00 N ATOM 378 CA ASN A 23 4.537 10.152 -3.790 1.00 0.00 C ATOM 379 C ASN A 23 5.445 9.204 -3.030 1.00 0.00 C ATOM 380 O ASN A 23 5.919 8.211 -3.576 1.00 0.00 O ATOM 381 CB ASN A 23 5.325 11.396 -4.216 1.00 0.00 C ATOM 382 CG ASN A 23 6.441 11.092 -5.194 1.00 0.00 C ATOM 383 OD1 ASN A 23 7.545 10.727 -4.797 1.00 0.00 O ATOM 384 ND2 ASN A 23 6.174 11.274 -6.473 1.00 0.00 N ATOM 0 H ASN A 23 3.303 11.545 -2.841 1.00 0.00 H new ATOM 0 HA ASN A 23 4.164 9.643 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.641 12.114 -4.668 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.747 11.871 -3.330 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.897 11.111 -7.173 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.244 11.578 -6.762 1.00 0.00 H new ATOM 391 N HIS A 24 5.673 9.500 -1.761 1.00 0.00 N ATOM 392 CA HIS A 24 6.528 8.667 -0.948 1.00 0.00 C ATOM 393 C HIS A 24 5.854 7.335 -0.635 1.00 0.00 C ATOM 394 O HIS A 24 6.506 6.293 -0.652 1.00 0.00 O ATOM 395 CB HIS A 24 6.932 9.380 0.349 1.00 0.00 C ATOM 396 CG HIS A 24 7.971 8.641 1.145 1.00 0.00 C ATOM 397 ND1 HIS A 24 7.925 8.511 2.514 1.00 0.00 N ATOM 398 CD2 HIS A 24 9.099 8.001 0.749 1.00 0.00 C ATOM 399 CE1 HIS A 24 8.975 7.827 2.925 1.00 0.00 C ATOM 400 NE2 HIS A 24 9.704 7.506 1.875 1.00 0.00 N ATOM 0 H HIS A 24 5.278 10.307 -1.278 1.00 0.00 H new ATOM 0 HA HIS A 24 7.434 8.469 -1.521 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.312 10.372 0.105 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.045 9.521 0.967 1.00 0.00 H new ATOM 0 HD2 HIS A 24 9.455 7.900 -0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 24 9.200 7.573 3.950 1.00 0.00 H new ATOM 0 HE2 HIS A 24 10.575 6.976 1.897 1.00 0.00 H new ATOM 409 N ALA A 25 4.553 7.365 -0.353 1.00 0.00 N ATOM 410 CA ALA A 25 3.816 6.152 -0.035 1.00 0.00 C ATOM 411 C ALA A 25 3.728 5.210 -1.228 1.00 0.00 C ATOM 412 O ALA A 25 3.950 4.012 -1.087 1.00 0.00 O ATOM 413 CB ALA A 25 2.422 6.499 0.470 1.00 0.00 C ATOM 0 H ALA A 25 3.992 8.216 -0.339 1.00 0.00 H new ATOM 0 HA ALA A 25 4.363 5.632 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.881 5.582 0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.502 7.112 1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.883 7.051 -0.300 1.00 0.00 H new ATOM 419 N ILE A 26 3.408 5.748 -2.405 1.00 0.00 N ATOM 420 CA ILE A 26 3.303 4.917 -3.603 1.00 0.00 C ATOM 421 C ILE A 26 4.667 4.362 -3.997 1.00 0.00 C ATOM 422 O ILE A 26 4.769 3.245 -4.492 1.00 0.00 O ATOM 423 CB ILE A 26 2.664 5.668 -4.808 1.00 0.00 C ATOM 424 CG1 ILE A 26 3.474 6.918 -5.176 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.217 6.031 -4.497 1.00 0.00 C ATOM 426 CD1 ILE A 26 2.941 7.663 -6.381 1.00 0.00 C ATOM 0 H ILE A 26 3.220 6.739 -2.553 1.00 0.00 H new ATOM 0 HA ILE A 26 2.636 4.094 -3.348 1.00 0.00 H new ATOM 0 HB ILE A 26 2.677 5.001 -5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.489 7.594 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.506 6.626 -5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.783 6.556 -5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.648 5.122 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.184 6.675 -3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.567 8.533 -6.577 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.952 7.005 -7.250 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.919 7.988 -6.185 1.00 0.00 H new ATOM 438 N GLU A 27 5.707 5.150 -3.758 1.00 0.00 N ATOM 439 CA GLU A 27 7.073 4.722 -4.019 1.00 0.00 C ATOM 440 C GLU A 27 7.416 3.536 -3.112 1.00 0.00 C ATOM 441 O GLU A 27 7.970 2.524 -3.561 1.00 0.00 O ATOM 442 CB GLU A 27 8.038 5.877 -3.741 1.00 0.00 C ATOM 443 CG GLU A 27 9.481 5.600 -4.106 1.00 0.00 C ATOM 444 CD GLU A 27 10.393 6.736 -3.700 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.539 7.703 -4.480 1.00 0.00 O ATOM 446 OE2 GLU A 27 10.959 6.676 -2.593 1.00 0.00 O ATOM 0 H GLU A 27 5.628 6.095 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 27 7.165 4.421 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.700 6.755 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.987 6.127 -2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.808 4.680 -3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.559 5.438 -5.181 1.00 0.00 H new ATOM 453 N LYS A 28 7.062 3.665 -1.837 1.00 0.00 N ATOM 454 CA LYS A 28 7.298 2.614 -0.865 1.00 0.00 C ATOM 455 C LYS A 28 6.442 1.396 -1.206 1.00 0.00 C ATOM 456 O LYS A 28 6.915 0.254 -1.143 1.00 0.00 O ATOM 457 CB LYS A 28 6.986 3.129 0.555 1.00 0.00 C ATOM 458 CG LYS A 28 7.600 2.305 1.694 1.00 0.00 C ATOM 459 CD LYS A 28 6.824 1.023 1.975 1.00 0.00 C ATOM 460 CE LYS A 28 7.478 0.214 3.086 1.00 0.00 C ATOM 461 NZ LYS A 28 6.679 -0.983 3.454 1.00 0.00 N ATOM 0 H LYS A 28 6.608 4.495 -1.455 1.00 0.00 H new ATOM 0 HA LYS A 28 8.347 2.318 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.340 4.156 0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.904 3.153 0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.630 2.054 1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.633 2.911 2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.800 1.269 2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.770 0.422 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.473 -0.099 2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.608 0.846 3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.163 -1.503 4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.738 -0.685 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.576 -1.600 2.623 1.00 0.00 H new ATOM 475 N GLY A 29 5.184 1.645 -1.582 1.00 0.00 N ATOM 476 CA GLY A 29 4.278 0.579 -1.952 1.00 0.00 C ATOM 477 C GLY A 29 4.779 -0.209 -3.137 1.00 0.00 C ATOM 478 O GLY A 29 4.765 -1.432 -3.134 1.00 0.00 O ATOM 0 H GLY A 29 4.779 2.580 -1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.142 -0.091 -1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.300 1.000 -2.185 1.00 0.00 H new ATOM 482 N GLU A 30 5.240 0.513 -4.145 1.00 0.00 N ATOM 483 CA GLU A 30 5.759 -0.088 -5.357 1.00 0.00 C ATOM 484 C GLU A 30 6.904 -1.042 -5.037 1.00 0.00 C ATOM 485 O GLU A 30 6.923 -2.188 -5.490 1.00 0.00 O ATOM 486 CB GLU A 30 6.229 0.998 -6.329 1.00 0.00 C ATOM 487 CG GLU A 30 6.793 0.459 -7.630 1.00 0.00 C ATOM 488 CD GLU A 30 7.200 1.557 -8.583 1.00 0.00 C ATOM 489 OE1 GLU A 30 8.229 2.213 -8.339 1.00 0.00 O ATOM 490 OE2 GLU A 30 6.496 1.765 -9.594 1.00 0.00 O ATOM 0 H GLU A 30 5.264 1.533 -4.144 1.00 0.00 H new ATOM 0 HA GLU A 30 4.958 -0.658 -5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.391 1.658 -6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.990 1.605 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.657 -0.170 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.048 -0.176 -8.110 1.00 0.00 H new ATOM 497 N HIS A 31 7.837 -0.573 -4.222 1.00 0.00 N ATOM 498 CA HIS A 31 8.993 -1.370 -3.858 1.00 0.00 C ATOM 499 C HIS A 31 8.598 -2.587 -3.015 1.00 0.00 C ATOM 500 O HIS A 31 9.129 -3.677 -3.209 1.00 0.00 O ATOM 501 CB HIS A 31 10.028 -0.520 -3.116 1.00 0.00 C ATOM 502 CG HIS A 31 11.336 -1.225 -2.901 1.00 0.00 C ATOM 503 ND1 HIS A 31 11.920 -1.373 -1.666 1.00 0.00 N ATOM 504 CD2 HIS A 31 12.174 -1.816 -3.783 1.00 0.00 C ATOM 505 CE1 HIS A 31 13.058 -2.023 -1.797 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.235 -2.304 -3.070 1.00 0.00 N ATOM 0 H HIS A 31 7.814 0.356 -3.801 1.00 0.00 H new ATOM 0 HA HIS A 31 9.440 -1.736 -4.782 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.206 0.396 -3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.619 -0.225 -2.149 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.032 -1.889 -4.851 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.733 -2.282 -0.994 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.033 -2.804 -3.462 1.00 0.00 H new ATOM 515 N GLN A 32 7.665 -2.401 -2.083 1.00 0.00 N ATOM 516 CA GLN A 32 7.233 -3.506 -1.228 1.00 0.00 C ATOM 517 C GLN A 32 6.390 -4.511 -2.017 1.00 0.00 C ATOM 518 O GLN A 32 6.375 -5.696 -1.694 1.00 0.00 O ATOM 519 CB GLN A 32 6.497 -2.987 0.033 1.00 0.00 C ATOM 520 CG GLN A 32 5.144 -2.322 -0.210 1.00 0.00 C ATOM 521 CD GLN A 32 3.985 -3.306 -0.370 1.00 0.00 C ATOM 522 OE1 GLN A 32 3.037 -3.040 -1.093 1.00 0.00 O ATOM 523 NE2 GLN A 32 4.045 -4.429 0.328 1.00 0.00 N ATOM 0 H GLN A 32 7.200 -1.511 -1.902 1.00 0.00 H new ATOM 0 HA GLN A 32 8.121 -4.034 -0.880 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.351 -3.825 0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.145 -2.272 0.540 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.926 -1.652 0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.210 -1.706 -1.107 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.853 -4.618 0.922 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.284 -5.105 0.272 1.00 0.00 H new ATOM 532 N LEU A 33 5.706 -4.041 -3.054 1.00 0.00 N ATOM 533 CA LEU A 33 4.945 -4.930 -3.926 1.00 0.00 C ATOM 534 C LEU A 33 5.914 -5.823 -4.682 1.00 0.00 C ATOM 535 O LEU A 33 5.708 -7.031 -4.793 1.00 0.00 O ATOM 536 CB LEU A 33 4.059 -4.102 -4.889 1.00 0.00 C ATOM 537 CG LEU A 33 3.242 -4.880 -5.960 1.00 0.00 C ATOM 538 CD1 LEU A 33 4.075 -5.137 -7.210 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.706 -6.200 -5.402 1.00 0.00 C ATOM 0 H LEU A 33 5.662 -3.055 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 33 4.280 -5.560 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.359 -3.522 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.700 -3.389 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 33 2.392 -4.255 -6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.477 -5.682 -7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.392 -4.186 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.953 -5.727 -6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.140 -6.719 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.540 -6.825 -5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.056 -5.998 -4.551 1.00 0.00 H new ATOM 551 N LEU A 34 6.994 -5.226 -5.162 1.00 0.00 N ATOM 552 CA LEU A 34 8.023 -5.970 -5.870 1.00 0.00 C ATOM 553 C LEU A 34 8.684 -6.955 -4.914 1.00 0.00 C ATOM 554 O LEU A 34 9.119 -8.042 -5.311 1.00 0.00 O ATOM 555 CB LEU A 34 9.077 -5.017 -6.451 1.00 0.00 C ATOM 556 CG LEU A 34 8.558 -3.969 -7.442 1.00 0.00 C ATOM 557 CD1 LEU A 34 9.684 -3.043 -7.877 1.00 0.00 C ATOM 558 CD2 LEU A 34 7.921 -4.641 -8.653 1.00 0.00 C ATOM 0 H LEU A 34 7.180 -4.227 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 34 7.561 -6.514 -6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.564 -4.498 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.842 -5.613 -6.949 1.00 0.00 H new ATOM 0 HG LEU A 34 7.795 -3.373 -6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.297 -2.306 -8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.093 -2.533 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.469 -3.626 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.559 -3.879 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.662 -5.264 -9.155 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.086 -5.261 -8.328 1.00 0.00 H new ATOM 570 N TYR A 35 8.736 -6.570 -3.644 1.00 0.00 N ATOM 571 CA TYR A 35 9.314 -7.399 -2.608 1.00 0.00 C ATOM 572 C TYR A 35 8.436 -8.623 -2.339 1.00 0.00 C ATOM 573 O TYR A 35 8.903 -9.761 -2.422 1.00 0.00 O ATOM 574 CB TYR A 35 9.540 -6.600 -1.319 1.00 0.00 C ATOM 575 CG TYR A 35 10.030 -7.450 -0.168 1.00 0.00 C ATOM 576 CD1 TYR A 35 11.330 -7.937 -0.140 1.00 0.00 C ATOM 577 CD2 TYR A 35 9.186 -7.776 0.882 1.00 0.00 C ATOM 578 CE1 TYR A 35 11.772 -8.727 0.902 1.00 0.00 C ATOM 579 CE2 TYR A 35 9.617 -8.560 1.927 1.00 0.00 C ATOM 580 CZ TYR A 35 10.912 -9.037 1.934 1.00 0.00 C ATOM 581 OH TYR A 35 11.347 -9.827 2.974 1.00 0.00 O ATOM 0 H TYR A 35 8.378 -5.675 -3.310 1.00 0.00 H new ATOM 0 HA TYR A 35 10.285 -7.745 -2.962 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.265 -5.809 -1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.607 -6.115 -1.032 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.006 -7.694 -0.946 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.171 -7.408 0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.785 -9.100 0.909 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.945 -8.801 2.738 1.00 0.00 H new ATOM 0 HH TYR A 35 10.619 -9.950 3.618 1.00 0.00 H new ATOM 591 N LEU A 36 7.151 -8.381 -2.028 1.00 0.00 N ATOM 592 CA LEU A 36 6.188 -9.453 -1.750 1.00 0.00 C ATOM 593 C LEU A 36 6.046 -10.375 -2.949 1.00 0.00 C ATOM 594 O LEU A 36 5.855 -11.584 -2.802 1.00 0.00 O ATOM 595 CB LEU A 36 4.814 -8.849 -1.401 1.00 0.00 C ATOM 596 CG LEU A 36 4.510 -8.596 0.089 1.00 0.00 C ATOM 597 CD1 LEU A 36 4.292 -9.903 0.823 1.00 0.00 C ATOM 598 CD2 LEU A 36 5.618 -7.796 0.749 1.00 0.00 C ATOM 0 H LEU A 36 6.756 -7.443 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 36 6.558 -10.033 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.718 -7.901 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.044 -9.513 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 36 3.592 -8.010 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.079 -9.700 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.450 -10.434 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.189 -10.517 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.374 -7.634 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.557 -8.345 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.720 -6.834 0.248 1.00 0.00 H new ATOM 610 N GLN A 37 6.139 -9.794 -4.138 1.00 0.00 N ATOM 611 CA GLN A 37 6.044 -10.547 -5.378 1.00 0.00 C ATOM 612 C GLN A 37 7.153 -11.605 -5.435 1.00 0.00 C ATOM 613 O GLN A 37 6.957 -12.708 -5.958 1.00 0.00 O ATOM 614 CB GLN A 37 6.147 -9.596 -6.568 1.00 0.00 C ATOM 615 CG GLN A 37 5.776 -10.216 -7.897 1.00 0.00 C ATOM 616 CD GLN A 37 5.826 -9.213 -9.026 1.00 0.00 C ATOM 617 OE1 GLN A 37 6.860 -9.027 -9.662 1.00 0.00 O ATOM 618 NE2 GLN A 37 4.710 -8.558 -9.277 1.00 0.00 N ATOM 0 H GLN A 37 6.282 -8.792 -4.268 1.00 0.00 H new ATOM 0 HA GLN A 37 5.080 -11.055 -5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.500 -8.737 -6.388 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.168 -9.219 -6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.456 -11.040 -8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.773 -10.638 -7.832 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.874 -8.744 -8.723 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.683 -7.865 -10.025 1.00 0.00 H new ATOM 627 N HIS A 38 8.312 -11.266 -4.876 1.00 0.00 N ATOM 628 CA HIS A 38 9.419 -12.204 -4.811 1.00 0.00 C ATOM 629 C HIS A 38 9.096 -13.326 -3.841 1.00 0.00 C ATOM 630 O HIS A 38 9.354 -14.499 -4.124 1.00 0.00 O ATOM 631 CB HIS A 38 10.715 -11.511 -4.408 1.00 0.00 C ATOM 632 CG HIS A 38 11.430 -10.906 -5.561 1.00 0.00 C ATOM 633 ND1 HIS A 38 11.102 -9.685 -6.089 1.00 0.00 N ATOM 634 CD2 HIS A 38 12.446 -11.379 -6.317 1.00 0.00 C ATOM 635 CE1 HIS A 38 11.873 -9.432 -7.118 1.00 0.00 C ATOM 636 NE2 HIS A 38 12.703 -10.442 -7.280 1.00 0.00 N ATOM 0 H HIS A 38 8.504 -10.353 -4.465 1.00 0.00 H new ATOM 0 HA HIS A 38 9.563 -12.623 -5.807 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.493 -10.734 -3.676 1.00 0.00 H new ATOM 0 HB3 HIS A 38 11.370 -12.232 -3.919 1.00 0.00 H new ATOM 0 HD1 HIS A 38 10.371 -9.068 -5.736 1.00 0.00 H new ATOM 0 HD2 HIS A 38 12.959 -12.320 -6.185 1.00 0.00 H new ATOM 0 HE1 HIS A 38 11.834 -8.544 -7.731 1.00 0.00 H new ATOM 645 N GLN A 39 8.527 -12.957 -2.690 1.00 0.00 N ATOM 646 CA GLN A 39 8.107 -13.933 -1.692 1.00 0.00 C ATOM 647 C GLN A 39 7.106 -14.916 -2.283 1.00 0.00 C ATOM 648 O GLN A 39 7.193 -16.120 -2.055 1.00 0.00 O ATOM 649 CB GLN A 39 7.511 -13.251 -0.460 1.00 0.00 C ATOM 650 CG GLN A 39 8.532 -12.542 0.414 1.00 0.00 C ATOM 651 CD GLN A 39 7.912 -11.965 1.670 1.00 0.00 C ATOM 652 OE1 GLN A 39 6.754 -11.573 1.676 1.00 0.00 O ATOM 653 NE2 GLN A 39 8.674 -11.922 2.742 1.00 0.00 N ATOM 0 H GLN A 39 8.348 -11.987 -2.430 1.00 0.00 H new ATOM 0 HA GLN A 39 8.995 -14.483 -1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.763 -12.528 -0.785 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.992 -13.999 0.140 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.320 -13.243 0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.002 -11.742 -0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.636 -12.259 2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.303 -11.552 3.617 1.00 0.00 H new ATOM 662 N LEU A 40 6.133 -14.379 -3.027 1.00 0.00 N ATOM 663 CA LEU A 40 5.144 -15.189 -3.729 1.00 0.00 C ATOM 664 C LEU A 40 5.817 -16.251 -4.590 1.00 0.00 C ATOM 665 O LEU A 40 5.468 -17.429 -4.520 1.00 0.00 O ATOM 666 CB LEU A 40 4.249 -14.297 -4.597 1.00 0.00 C ATOM 667 CG LEU A 40 3.262 -15.027 -5.511 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.290 -15.869 -4.696 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.512 -14.030 -6.380 1.00 0.00 C ATOM 0 H LEU A 40 6.013 -13.374 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 40 4.529 -15.694 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.685 -13.634 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.888 -13.666 -5.215 1.00 0.00 H new ATOM 0 HG LEU A 40 3.825 -15.698 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.598 -16.378 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.845 -16.608 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.730 -15.224 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.813 -14.563 -7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.962 -13.335 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.222 -13.476 -6.994 1.00 0.00 H new ATOM 681 N ASP A 41 6.805 -15.830 -5.387 1.00 0.00 N ATOM 682 CA ASP A 41 7.544 -16.749 -6.258 1.00 0.00 C ATOM 683 C ASP A 41 8.194 -17.854 -5.437 1.00 0.00 C ATOM 684 O ASP A 41 8.220 -19.024 -5.840 1.00 0.00 O ATOM 685 CB ASP A 41 8.612 -15.981 -7.046 1.00 0.00 C ATOM 686 CG ASP A 41 9.570 -16.893 -7.788 1.00 0.00 C ATOM 687 OD1 ASP A 41 9.159 -17.498 -8.792 1.00 0.00 O ATOM 688 OD2 ASP A 41 10.743 -16.996 -7.372 1.00 0.00 O ATOM 0 H ASP A 41 7.111 -14.859 -5.447 1.00 0.00 H new ATOM 0 HA ASP A 41 6.844 -17.203 -6.959 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.123 -15.319 -7.760 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.177 -15.349 -6.361 1.00 0.00 H new ATOM 693 N GLU A 42 8.696 -17.465 -4.275 1.00 0.00 N ATOM 694 CA GLU A 42 9.336 -18.376 -3.348 1.00 0.00 C ATOM 695 C GLU A 42 8.330 -19.411 -2.833 1.00 0.00 C ATOM 696 O GLU A 42 8.620 -20.615 -2.783 1.00 0.00 O ATOM 697 CB GLU A 42 9.912 -17.574 -2.172 1.00 0.00 C ATOM 698 CG GLU A 42 10.607 -18.402 -1.108 1.00 0.00 C ATOM 699 CD GLU A 42 11.935 -18.946 -1.568 1.00 0.00 C ATOM 700 OE1 GLU A 42 12.922 -18.186 -1.570 1.00 0.00 O ATOM 701 OE2 GLU A 42 12.008 -20.135 -1.914 1.00 0.00 O ATOM 0 H GLU A 42 8.669 -16.499 -3.949 1.00 0.00 H new ATOM 0 HA GLU A 42 10.139 -18.904 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.621 -16.844 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.103 -17.014 -1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.758 -17.790 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.960 -19.230 -0.819 1.00 0.00 H new ATOM 708 N LEU A 43 7.132 -18.943 -2.481 1.00 0.00 N ATOM 709 CA LEU A 43 6.093 -19.790 -1.920 1.00 0.00 C ATOM 710 C LEU A 43 5.629 -20.854 -2.910 1.00 0.00 C ATOM 711 O LEU A 43 5.293 -21.961 -2.515 1.00 0.00 O ATOM 712 CB LEU A 43 4.903 -18.930 -1.485 1.00 0.00 C ATOM 713 CG LEU A 43 3.769 -19.669 -0.779 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.218 -20.171 0.575 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.545 -18.775 -0.648 1.00 0.00 C ATOM 0 H LEU A 43 6.860 -17.965 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 43 6.514 -20.304 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.269 -18.147 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.495 -18.436 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 43 3.494 -20.533 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.394 -20.694 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.058 -20.854 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.526 -19.327 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.748 -19.321 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.802 -17.888 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.206 -18.475 -1.639 1.00 0.00 H new ATOM 727 N ASN A 44 5.621 -20.514 -4.193 1.00 0.00 N ATOM 728 CA ASN A 44 5.157 -21.438 -5.239 1.00 0.00 C ATOM 729 C ASN A 44 5.982 -22.724 -5.235 1.00 0.00 C ATOM 730 O ASN A 44 5.473 -23.806 -5.518 1.00 0.00 O ATOM 731 CB ASN A 44 5.250 -20.775 -6.622 1.00 0.00 C ATOM 732 CG ASN A 44 4.451 -19.492 -6.740 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.439 -19.313 -6.079 1.00 0.00 O ATOM 734 ND2 ASN A 44 4.910 -18.592 -7.593 1.00 0.00 N ATOM 0 H ASN A 44 5.929 -19.606 -4.542 1.00 0.00 H new ATOM 0 HA ASN A 44 4.117 -21.686 -5.027 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.296 -20.562 -6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.901 -21.480 -7.377 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.415 -17.709 -7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.759 -18.781 -8.126 1.00 0.00 H new ATOM 741 N GLU A 45 7.251 -22.593 -4.909 1.00 0.00 N ATOM 742 CA GLU A 45 8.152 -23.736 -4.894 1.00 0.00 C ATOM 743 C GLU A 45 8.109 -24.476 -3.553 1.00 0.00 C ATOM 744 O GLU A 45 8.059 -25.708 -3.515 1.00 0.00 O ATOM 745 CB GLU A 45 9.582 -23.301 -5.206 1.00 0.00 C ATOM 746 CG GLU A 45 10.550 -24.465 -5.350 1.00 0.00 C ATOM 747 CD GLU A 45 11.970 -24.018 -5.582 1.00 0.00 C ATOM 748 OE1 GLU A 45 12.314 -23.681 -6.736 1.00 0.00 O ATOM 749 OE2 GLU A 45 12.759 -24.006 -4.617 1.00 0.00 O ATOM 0 H GLU A 45 7.686 -21.708 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 45 7.813 -24.424 -5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.584 -22.720 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.934 -22.641 -4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.510 -25.079 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.232 -25.095 -6.180 1.00 0.00 H new ATOM 756 N ASN A 46 8.120 -23.727 -2.465 1.00 0.00 N ATOM 757 CA ASN A 46 8.172 -24.320 -1.123 1.00 0.00 C ATOM 758 C ASN A 46 6.806 -24.850 -0.672 1.00 0.00 C ATOM 759 O ASN A 46 6.723 -25.876 0.006 1.00 0.00 O ATOM 760 CB ASN A 46 8.698 -23.299 -0.112 1.00 0.00 C ATOM 761 CG ASN A 46 10.094 -22.815 -0.443 1.00 0.00 C ATOM 762 OD1 ASN A 46 10.897 -23.543 -1.029 1.00 0.00 O ATOM 763 ND2 ASN A 46 10.395 -21.591 -0.066 1.00 0.00 N ATOM 0 H ASN A 46 8.094 -22.707 -2.475 1.00 0.00 H new ATOM 0 HA ASN A 46 8.854 -25.169 -1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.021 -22.446 -0.078 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.699 -23.746 0.882 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.323 -21.212 -0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.701 -21.021 0.417 1.00 0.00 H new ATOM 770 N LYS A 47 5.747 -24.133 -1.064 1.00 0.00 N ATOM 771 CA LYS A 47 4.357 -24.456 -0.654 1.00 0.00 C ATOM 772 C LYS A 47 4.236 -24.429 0.888 1.00 0.00 C ATOM 773 O LYS A 47 3.296 -24.976 1.467 1.00 0.00 O ATOM 774 CB LYS A 47 3.968 -25.842 -1.180 1.00 0.00 C ATOM 775 CG LYS A 47 3.953 -25.946 -2.704 1.00 0.00 C ATOM 776 CD LYS A 47 2.827 -25.119 -3.322 1.00 0.00 C ATOM 777 CE LYS A 47 2.767 -25.304 -4.832 1.00 0.00 C ATOM 778 NZ LYS A 47 2.665 -26.739 -5.216 1.00 0.00 N ATOM 0 H LYS A 47 5.818 -23.316 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 47 3.683 -23.710 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.666 -26.579 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.980 -26.100 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.911 -25.608 -3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.838 -26.990 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.874 -25.411 -2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.977 -24.065 -3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.910 -24.761 -5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.658 -24.870 -5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.358 -26.812 -6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.594 -27.194 -5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.972 -27.214 -4.603 1.00 0.00 H new ATOM 792 N SER A 48 5.196 -23.770 1.516 1.00 0.00 N ATOM 793 CA SER A 48 5.284 -23.678 2.967 1.00 0.00 C ATOM 794 C SER A 48 4.106 -22.911 3.554 1.00 0.00 C ATOM 795 O SER A 48 3.906 -21.733 3.262 1.00 0.00 O ATOM 796 CB SER A 48 6.598 -23.014 3.356 1.00 0.00 C ATOM 797 OG SER A 48 7.688 -23.655 2.727 1.00 0.00 O ATOM 0 H SER A 48 5.945 -23.278 1.029 1.00 0.00 H new ATOM 0 HA SER A 48 5.250 -24.688 3.376 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.577 -21.961 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.723 -23.051 4.438 1.00 0.00 H new ATOM 0 HG SER A 48 8.523 -23.213 2.988 1.00 0.00 H new ATOM 803 N LYS A 49 3.343 -23.588 4.389 1.00 0.00 N ATOM 804 CA LYS A 49 2.178 -23.011 5.050 1.00 0.00 C ATOM 805 C LYS A 49 2.553 -21.783 5.882 1.00 0.00 C ATOM 806 O LYS A 49 1.906 -20.743 5.795 1.00 0.00 O ATOM 807 CB LYS A 49 1.541 -24.076 5.942 1.00 0.00 C ATOM 808 CG LYS A 49 2.562 -24.815 6.787 1.00 0.00 C ATOM 809 CD LYS A 49 1.957 -25.959 7.536 1.00 0.00 C ATOM 810 CE LYS A 49 3.054 -26.844 8.105 1.00 0.00 C ATOM 811 NZ LYS A 49 2.512 -27.952 8.926 1.00 0.00 N ATOM 0 H LYS A 49 3.512 -24.564 4.633 1.00 0.00 H new ATOM 0 HA LYS A 49 1.470 -22.684 4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.806 -23.606 6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.003 -24.791 5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.361 -25.186 6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.017 -24.121 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.326 -25.584 8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.316 -26.540 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.646 -27.256 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.727 -26.239 8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.296 -28.528 9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.968 -27.561 9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.890 -28.546 8.341 1.00 0.00 H new ATOM 825 N GLU A 50 3.608 -21.914 6.681 1.00 0.00 N ATOM 826 CA GLU A 50 4.072 -20.829 7.540 1.00 0.00 C ATOM 827 C GLU A 50 4.536 -19.638 6.711 1.00 0.00 C ATOM 828 O GLU A 50 4.306 -18.489 7.082 1.00 0.00 O ATOM 829 CB GLU A 50 5.194 -21.323 8.452 1.00 0.00 C ATOM 830 CG GLU A 50 6.376 -21.908 7.696 1.00 0.00 C ATOM 831 CD GLU A 50 7.319 -22.684 8.582 1.00 0.00 C ATOM 832 OE1 GLU A 50 7.931 -22.078 9.487 1.00 0.00 O ATOM 833 OE2 GLU A 50 7.462 -23.905 8.368 1.00 0.00 O ATOM 0 H GLU A 50 4.161 -22.768 6.751 1.00 0.00 H new ATOM 0 HA GLU A 50 3.238 -20.499 8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.542 -20.494 9.069 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.795 -22.079 9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.007 -22.563 6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.924 -21.101 7.210 1.00 0.00 H new ATOM 840 N LEU A 51 5.164 -19.916 5.584 1.00 0.00 N ATOM 841 CA LEU A 51 5.610 -18.864 4.693 1.00 0.00 C ATOM 842 C LEU A 51 4.394 -18.154 4.126 1.00 0.00 C ATOM 843 O LEU A 51 4.342 -16.932 4.084 1.00 0.00 O ATOM 844 CB LEU A 51 6.465 -19.441 3.561 1.00 0.00 C ATOM 845 CG LEU A 51 7.059 -18.421 2.583 1.00 0.00 C ATOM 846 CD1 LEU A 51 8.035 -17.492 3.292 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.742 -19.132 1.425 1.00 0.00 C ATOM 0 H LEU A 51 5.376 -20.861 5.265 1.00 0.00 H new ATOM 0 HA LEU A 51 6.224 -18.155 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.283 -20.010 4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.856 -20.146 2.995 1.00 0.00 H new ATOM 0 HG LEU A 51 6.245 -17.815 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.443 -16.778 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.515 -16.955 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.847 -18.078 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.159 -18.394 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.543 -19.764 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.015 -19.748 0.896 1.00 0.00 H new ATOM 859 N GLN A 52 3.399 -18.947 3.736 1.00 0.00 N ATOM 860 CA GLN A 52 2.151 -18.417 3.206 1.00 0.00 C ATOM 861 C GLN A 52 1.483 -17.489 4.213 1.00 0.00 C ATOM 862 O GLN A 52 1.063 -16.383 3.865 1.00 0.00 O ATOM 863 CB GLN A 52 1.200 -19.558 2.833 1.00 0.00 C ATOM 864 CG GLN A 52 -0.219 -19.105 2.527 1.00 0.00 C ATOM 865 CD GLN A 52 -1.110 -20.245 2.099 1.00 0.00 C ATOM 866 OE1 GLN A 52 -1.718 -20.918 2.929 1.00 0.00 O ATOM 867 NE2 GLN A 52 -1.211 -20.462 0.807 1.00 0.00 N ATOM 0 H GLN A 52 3.436 -19.965 3.779 1.00 0.00 H new ATOM 0 HA GLN A 52 2.383 -17.843 2.309 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.599 -20.080 1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.172 -20.277 3.652 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.643 -18.629 3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.195 -18.352 1.739 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.690 -19.881 0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.810 -21.211 0.461 1.00 0.00 H new ATOM 876 N GLU A 53 1.397 -17.935 5.463 1.00 0.00 N ATOM 877 CA GLU A 53 0.769 -17.152 6.507 1.00 0.00 C ATOM 878 C GLU A 53 1.509 -15.843 6.744 1.00 0.00 C ATOM 879 O GLU A 53 0.885 -14.797 6.871 1.00 0.00 O ATOM 880 CB GLU A 53 0.641 -17.968 7.794 1.00 0.00 C ATOM 881 CG GLU A 53 -0.256 -19.187 7.639 1.00 0.00 C ATOM 882 CD GLU A 53 -0.580 -19.854 8.952 1.00 0.00 C ATOM 883 OE1 GLU A 53 0.210 -20.706 9.400 1.00 0.00 O ATOM 884 OE2 GLU A 53 -1.641 -19.546 9.530 1.00 0.00 O ATOM 0 H GLU A 53 1.757 -18.838 5.772 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.237 -16.894 6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.632 -18.291 8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.244 -17.330 8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.184 -18.888 7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.231 -19.908 6.983 1.00 0.00 H new ATOM 891 N LYS A 54 2.835 -15.900 6.788 1.00 0.00 N ATOM 892 CA LYS A 54 3.655 -14.695 6.949 1.00 0.00 C ATOM 893 C LYS A 54 3.405 -13.724 5.803 1.00 0.00 C ATOM 894 O LYS A 54 3.191 -12.529 6.022 1.00 0.00 O ATOM 895 CB LYS A 54 5.139 -15.071 6.990 1.00 0.00 C ATOM 896 CG LYS A 54 5.560 -15.780 8.266 1.00 0.00 C ATOM 897 CD LYS A 54 5.641 -14.810 9.440 1.00 0.00 C ATOM 898 CE LYS A 54 7.031 -14.177 9.567 1.00 0.00 C ATOM 899 NZ LYS A 54 7.450 -13.434 8.345 1.00 0.00 N ATOM 0 H LYS A 54 3.370 -16.766 6.715 1.00 0.00 H new ATOM 0 HA LYS A 54 3.379 -14.213 7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.365 -15.713 6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.736 -14.166 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.848 -16.573 8.495 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.530 -16.255 8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.895 -14.025 9.314 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.397 -15.336 10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.037 -13.496 10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.761 -14.958 9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.350 -12.945 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.572 -14.102 7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.721 -12.735 8.096 1.00 0.00 H new ATOM 913 N ILE A 55 3.407 -14.260 4.599 1.00 0.00 N ATOM 914 CA ILE A 55 3.203 -13.458 3.404 1.00 0.00 C ATOM 915 C ILE A 55 1.851 -12.743 3.443 1.00 0.00 C ATOM 916 O ILE A 55 1.787 -11.527 3.321 1.00 0.00 O ATOM 917 CB ILE A 55 3.313 -14.303 2.106 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.735 -14.853 1.950 1.00 0.00 C ATOM 919 CG2 ILE A 55 2.934 -13.466 0.887 1.00 0.00 C ATOM 920 CD1 ILE A 55 4.909 -15.772 0.758 1.00 0.00 C ATOM 0 H ILE A 55 3.548 -15.254 4.419 1.00 0.00 H new ATOM 0 HA ILE A 55 3.999 -12.714 3.390 1.00 0.00 H new ATOM 0 HB ILE A 55 2.619 -15.140 2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.429 -14.018 1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.007 -15.394 2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.017 -14.075 -0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.908 -13.113 0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.606 -12.611 0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.941 -16.120 0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.241 -16.628 0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.670 -15.230 -0.157 1.00 0.00 H new ATOM 932 N ILE A 56 0.780 -13.498 3.661 1.00 0.00 N ATOM 933 CA ILE A 56 -0.564 -12.925 3.654 1.00 0.00 C ATOM 934 C ILE A 56 -0.822 -12.017 4.880 1.00 0.00 C ATOM 935 O ILE A 56 -1.523 -11.010 4.774 1.00 0.00 O ATOM 936 CB ILE A 56 -1.665 -14.024 3.540 1.00 0.00 C ATOM 937 CG1 ILE A 56 -3.052 -13.398 3.354 1.00 0.00 C ATOM 938 CG2 ILE A 56 -1.653 -14.946 4.748 1.00 0.00 C ATOM 939 CD1 ILE A 56 -3.202 -12.616 2.064 1.00 0.00 C ATOM 0 H ILE A 56 0.813 -14.501 3.844 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.622 -12.298 2.764 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.439 -14.622 2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.803 -14.188 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.257 -12.736 4.195 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.432 -15.700 4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.682 -15.435 4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.837 -14.364 5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.209 -12.203 2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.475 -11.804 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.029 -13.278 1.215 1.00 0.00 H new ATOM 951 N ARG A 57 -0.239 -12.364 6.027 1.00 0.00 N ATOM 952 CA ARG A 57 -0.416 -11.568 7.250 1.00 0.00 C ATOM 953 C ARG A 57 0.250 -10.206 7.115 1.00 0.00 C ATOM 954 O ARG A 57 -0.390 -9.167 7.327 1.00 0.00 O ATOM 955 CB ARG A 57 0.162 -12.299 8.469 1.00 0.00 C ATOM 956 CG ARG A 57 -0.865 -12.991 9.362 1.00 0.00 C ATOM 957 CD ARG A 57 -1.548 -14.159 8.669 1.00 0.00 C ATOM 958 NE ARG A 57 -2.252 -15.014 9.629 1.00 0.00 N ATOM 959 CZ ARG A 57 -2.663 -16.261 9.378 1.00 0.00 C ATOM 960 NH1 ARG A 57 -2.546 -16.775 8.159 1.00 0.00 N ATOM 961 NH2 ARG A 57 -3.211 -16.984 10.346 1.00 0.00 N ATOM 0 H ARG A 57 0.357 -13.184 6.139 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.487 -11.427 7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.877 -13.044 8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.719 -11.582 9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.373 -13.347 10.267 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.618 -12.267 9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.254 -13.782 7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.806 -14.749 8.130 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.442 -14.630 10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.140 -16.218 7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.862 -17.727 7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.318 -16.588 11.280 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.525 -17.936 10.156 1.00 0.00 H new ATOM 975 N GLU A 58 1.521 -10.203 6.744 1.00 0.00 N ATOM 976 CA GLU A 58 2.258 -8.959 6.615 1.00 0.00 C ATOM 977 C GLU A 58 1.772 -8.155 5.415 1.00 0.00 C ATOM 978 O GLU A 58 1.773 -6.922 5.444 1.00 0.00 O ATOM 979 CB GLU A 58 3.766 -9.213 6.561 1.00 0.00 C ATOM 980 CG GLU A 58 4.290 -9.903 7.816 1.00 0.00 C ATOM 981 CD GLU A 58 5.792 -10.088 7.817 1.00 0.00 C ATOM 982 OE1 GLU A 58 6.512 -9.107 8.090 1.00 0.00 O ATOM 983 OE2 GLU A 58 6.261 -11.219 7.580 1.00 0.00 O ATOM 0 H GLU A 58 2.059 -11.042 6.529 1.00 0.00 H new ATOM 0 HA GLU A 58 2.065 -8.359 7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.996 -9.827 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.286 -8.264 6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.003 -9.318 8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.811 -10.877 7.913 1.00 0.00 H new ATOM 990 N LEU A 59 1.328 -8.853 4.370 1.00 0.00 N ATOM 991 CA LEU A 59 0.766 -8.197 3.196 1.00 0.00 C ATOM 992 C LEU A 59 -0.471 -7.412 3.603 1.00 0.00 C ATOM 993 O LEU A 59 -0.650 -6.259 3.215 1.00 0.00 O ATOM 994 CB LEU A 59 0.403 -9.232 2.121 1.00 0.00 C ATOM 995 CG LEU A 59 -0.253 -8.690 0.845 1.00 0.00 C ATOM 996 CD1 LEU A 59 0.669 -7.714 0.132 1.00 0.00 C ATOM 997 CD2 LEU A 59 -0.631 -9.837 -0.078 1.00 0.00 C ATOM 0 H LEU A 59 1.348 -9.871 4.315 1.00 0.00 H new ATOM 0 HA LEU A 59 1.509 -7.517 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.312 -9.764 1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.270 -9.965 2.566 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.159 -8.153 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.180 -7.344 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.893 -6.877 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.595 -8.220 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.096 -9.440 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.264 -10.397 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.333 -10.498 0.431 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.305 -8.050 4.417 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.547 -7.456 4.901 1.00 0.00 C ATOM 1011 C ASP A 60 -2.287 -6.183 5.703 1.00 0.00 C ATOM 1012 O ASP A 60 -2.971 -5.174 5.521 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.311 -8.465 5.755 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.512 -7.860 6.443 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.507 -7.554 5.755 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -4.471 -7.688 7.679 1.00 0.00 O ATOM 0 H ASP A 60 -1.139 -8.996 4.761 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.148 -7.186 4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.637 -9.293 5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.639 -8.881 6.506 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.287 -6.231 6.579 1.00 0.00 N ATOM 1022 CA VAL A 61 -0.935 -5.077 7.410 1.00 0.00 C ATOM 1023 C VAL A 61 -0.529 -3.884 6.543 1.00 0.00 C ATOM 1024 O VAL A 61 -0.966 -2.750 6.775 1.00 0.00 O ATOM 1025 CB VAL A 61 0.222 -5.420 8.383 1.00 0.00 C ATOM 1026 CG1 VAL A 61 0.623 -4.208 9.211 1.00 0.00 C ATOM 1027 CG2 VAL A 61 -0.163 -6.580 9.289 1.00 0.00 C ATOM 0 H VAL A 61 -0.705 -7.054 6.734 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.819 -4.814 7.990 1.00 0.00 H new ATOM 0 HB VAL A 61 1.083 -5.719 7.784 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.436 -4.480 9.884 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.952 -3.408 8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.232 -3.867 9.795 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.663 -6.804 9.964 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.044 -6.310 9.871 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.384 -7.458 8.682 1.00 0.00 H new ATOM 1037 N VAL A 62 0.284 -4.150 5.533 1.00 0.00 N ATOM 1038 CA VAL A 62 0.741 -3.105 4.625 1.00 0.00 C ATOM 1039 C VAL A 62 -0.424 -2.570 3.799 1.00 0.00 C ATOM 1040 O VAL A 62 -0.533 -1.364 3.582 1.00 0.00 O ATOM 1041 CB VAL A 62 1.856 -3.619 3.682 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.339 -2.508 2.762 1.00 0.00 C ATOM 1043 CG2 VAL A 62 3.016 -4.182 4.487 1.00 0.00 C ATOM 0 H VAL A 62 0.642 -5.081 5.320 1.00 0.00 H new ATOM 0 HA VAL A 62 1.153 -2.300 5.234 1.00 0.00 H new ATOM 0 HB VAL A 62 1.440 -4.417 3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.122 -2.892 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.506 -2.148 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.735 -1.687 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.791 -4.539 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.426 -3.402 5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.664 -5.010 5.103 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.311 -3.456 3.382 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.470 -3.051 2.601 1.00 0.00 C ATOM 1055 C CYS A 63 -3.356 -2.121 3.419 1.00 0.00 C ATOM 1056 O CYS A 63 -3.829 -1.103 2.925 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.269 -4.270 2.130 1.00 0.00 C ATOM 1058 SG CYS A 63 -2.361 -5.368 1.019 1.00 0.00 S ATOM 0 H CYS A 63 -1.253 -4.457 3.569 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.117 -2.517 1.719 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.590 -4.839 3.003 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.171 -3.926 1.625 1.00 0.00 H new ATOM 0 HG CYS A 63 -1.344 -5.878 1.648 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.530 -2.456 4.695 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.373 -1.691 5.601 1.00 0.00 C ATOM 1066 C ALA A 64 -3.824 -0.285 5.839 1.00 0.00 C ATOM 1067 O ALA A 64 -4.555 0.698 5.718 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.480 -2.430 6.924 1.00 0.00 C ATOM 0 H ALA A 64 -3.088 -3.267 5.128 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.357 -1.587 5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.111 -1.862 7.608 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.920 -3.413 6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.487 -2.546 7.358 1.00 0.00 H new ATOM 1074 N MET A 65 -2.540 -0.186 6.168 1.00 0.00 N ATOM 1075 CA MET A 65 -1.940 1.122 6.438 1.00 0.00 C ATOM 1076 C MET A 65 -1.969 1.994 5.182 1.00 0.00 C ATOM 1077 O MET A 65 -2.145 3.216 5.261 1.00 0.00 O ATOM 1078 CB MET A 65 -0.503 0.978 6.966 1.00 0.00 C ATOM 1079 CG MET A 65 0.510 0.554 5.916 1.00 0.00 C ATOM 1080 SD MET A 65 2.187 0.417 6.562 1.00 0.00 S ATOM 1081 CE MET A 65 1.983 -0.955 7.686 1.00 0.00 C ATOM 0 H MET A 65 -1.903 -0.978 6.254 1.00 0.00 H new ATOM 0 HA MET A 65 -2.532 1.610 7.213 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.189 1.930 7.394 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.497 0.248 7.775 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.209 -0.406 5.497 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.500 1.275 5.099 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.004 -0.590 8.713 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.028 -1.444 7.494 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.792 -1.670 7.538 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.808 1.357 4.026 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.843 2.058 2.753 1.00 0.00 C ATOM 1093 C ILE A 66 -3.244 2.605 2.465 1.00 0.00 C ATOM 1094 O ILE A 66 -3.391 3.763 2.069 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.343 1.144 1.578 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.148 1.392 1.291 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -2.163 1.341 0.305 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.067 1.150 2.472 1.00 0.00 C ATOM 0 H ILE A 66 -1.652 0.352 3.948 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.159 2.903 2.825 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.478 0.111 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.458 0.748 0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.273 2.421 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.780 0.688 -0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.207 1.097 0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.089 2.379 -0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.098 1.349 2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.789 1.813 3.291 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.976 0.114 2.797 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.270 1.793 2.715 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.647 2.197 2.457 1.00 0.00 C ATOM 1112 C GLU A 67 -6.065 3.349 3.358 1.00 0.00 C ATOM 1113 O GLU A 67 -6.788 4.258 2.929 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.602 1.030 2.651 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.441 -0.082 1.636 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.484 -1.155 1.809 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -7.295 -2.040 2.666 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -8.513 -1.108 1.098 1.00 0.00 O ATOM 0 H GLU A 67 -4.172 0.852 3.096 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.695 2.529 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.456 0.618 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.626 1.402 2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.509 0.332 0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.448 -0.521 1.733 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.608 3.306 4.601 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.958 4.328 5.558 1.00 0.00 C ATOM 1127 C GLY A 68 -5.361 5.673 5.219 1.00 0.00 C ATOM 1128 O GLY A 68 -6.055 6.690 5.217 1.00 0.00 O ATOM 0 H GLY A 68 -4.996 2.574 4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.043 4.419 5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.619 4.024 6.548 1.00 0.00 H new ATOM 1132 N ALA A 69 -4.069 5.680 4.913 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.369 6.913 4.589 1.00 0.00 C ATOM 1134 C ALA A 69 -3.827 7.476 3.251 1.00 0.00 C ATOM 1135 O ALA A 69 -4.031 8.682 3.125 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.863 6.689 4.590 1.00 0.00 C ATOM 0 H ALA A 69 -3.486 4.844 4.883 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.612 7.646 5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.356 7.622 4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.546 6.352 5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.607 5.932 3.848 1.00 0.00 H new ATOM 1142 N GLN A 70 -4.001 6.607 2.257 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.419 7.068 0.937 1.00 0.00 C ATOM 1144 C GLN A 70 -5.816 7.689 1.005 1.00 0.00 C ATOM 1145 O GLN A 70 -6.092 8.681 0.351 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.349 5.963 -0.128 1.00 0.00 C ATOM 1147 CG GLN A 70 -5.485 4.965 -0.097 1.00 0.00 C ATOM 1148 CD GLN A 70 -5.477 4.066 -1.308 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -4.918 2.975 -1.288 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -6.070 4.542 -2.387 1.00 0.00 N ATOM 0 H GLN A 70 -3.862 5.600 2.338 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.711 7.836 0.625 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.324 6.430 -1.112 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.409 5.424 -0.008 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.411 4.359 0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.435 5.497 -0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.523 5.455 -2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.075 3.996 -3.249 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.678 7.093 1.832 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.034 7.593 1.993 1.00 0.00 C ATOM 1161 C GLY A 71 -8.075 8.920 2.729 1.00 0.00 C ATOM 1162 O GLY A 71 -8.823 9.841 2.360 1.00 0.00 O ATOM 0 H GLY A 71 -6.458 6.271 2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.495 7.710 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.627 6.859 2.538 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.261 9.011 3.772 1.00 0.00 N ATOM 1167 CA ALA A 72 -7.182 10.201 4.599 1.00 0.00 C ATOM 1168 C ALA A 72 -6.624 11.362 3.797 1.00 0.00 C ATOM 1169 O ALA A 72 -7.241 12.430 3.705 1.00 0.00 O ATOM 1170 CB ALA A 72 -6.315 9.935 5.820 1.00 0.00 C ATOM 0 H ALA A 72 -6.637 8.259 4.066 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.186 10.462 4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.263 10.835 6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.748 9.123 6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.311 9.656 5.500 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.454 11.137 3.207 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.782 12.135 2.399 1.00 0.00 C ATOM 1178 C LEU A 73 -5.667 12.601 1.252 1.00 0.00 C ATOM 1179 O LEU A 73 -5.725 13.784 0.962 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.480 11.569 1.845 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.625 12.544 1.048 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -1.954 13.555 1.964 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.603 11.796 0.221 1.00 0.00 C ATOM 0 H LEU A 73 -4.949 10.254 3.279 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.565 12.993 3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.887 11.190 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.717 10.717 1.208 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.276 13.095 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.349 14.240 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.715 14.118 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.316 13.033 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.000 12.508 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.957 11.215 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.114 11.126 -0.470 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.356 11.652 0.613 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.256 11.949 -0.508 1.00 0.00 C ATOM 1197 C GLU A 74 -8.275 13.011 -0.094 1.00 0.00 C ATOM 1198 O GLU A 74 -8.441 14.033 -0.763 1.00 0.00 O ATOM 1199 CB GLU A 74 -7.958 10.654 -0.940 1.00 0.00 C ATOM 1200 CG GLU A 74 -8.033 10.443 -2.449 1.00 0.00 C ATOM 1201 CD GLU A 74 -9.081 11.313 -3.125 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -10.280 10.954 -3.080 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -8.719 12.340 -3.717 1.00 0.00 O ATOM 0 H GLU A 74 -6.308 10.662 0.855 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.685 12.342 -1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.436 9.807 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.970 10.653 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.058 10.654 -2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.254 9.395 -2.652 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.919 12.772 1.041 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.910 13.690 1.588 1.00 0.00 C ATOM 1212 C ARG A 75 -9.302 15.089 1.795 1.00 0.00 C ATOM 1213 O ARG A 75 -9.927 16.101 1.471 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.420 13.147 2.925 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.575 13.927 3.527 1.00 0.00 C ATOM 1216 CD ARG A 75 -12.842 13.764 2.707 1.00 0.00 C ATOM 1217 NE ARG A 75 -13.996 14.361 3.371 1.00 0.00 N ATOM 1218 CZ ARG A 75 -15.054 13.671 3.810 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -15.112 12.351 3.644 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -16.048 14.301 4.421 1.00 0.00 N ATOM 0 H ARG A 75 -8.769 11.937 1.608 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.737 13.775 0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.732 12.112 2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.595 13.139 3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.754 13.586 4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.311 14.983 3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.705 14.227 1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.030 12.704 2.534 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.996 15.372 3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.347 11.861 3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.921 11.830 3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.005 15.311 4.556 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.855 13.775 4.756 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.092 15.131 2.320 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.416 16.396 2.581 1.00 0.00 C ATOM 1236 C GLU A 76 -6.972 17.082 1.292 1.00 0.00 C ATOM 1237 O GLU A 76 -7.341 18.236 1.047 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.215 16.193 3.502 1.00 0.00 C ATOM 1239 CG GLU A 76 -6.584 15.756 4.906 1.00 0.00 C ATOM 1240 CD GLU A 76 -5.385 15.676 5.822 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -4.682 16.692 5.972 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -5.155 14.605 6.421 1.00 0.00 O ATOM 0 H GLU A 76 -7.553 14.304 2.576 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.139 17.045 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.554 15.446 3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.651 17.124 3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.309 16.456 5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.070 14.781 4.864 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.190 16.383 0.465 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.671 16.963 -0.779 1.00 0.00 C ATOM 1251 C LEU A 77 -6.763 17.437 -1.711 1.00 0.00 C ATOM 1252 O LEU A 77 -6.521 18.282 -2.568 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.685 16.002 -1.505 1.00 0.00 C ATOM 1254 CG LEU A 77 -5.188 14.592 -1.898 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -6.192 14.644 -3.043 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -4.012 13.705 -2.280 1.00 0.00 C ATOM 0 H LEU A 77 -5.903 15.419 0.632 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.110 17.849 -0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.346 16.499 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.812 15.877 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.697 14.172 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.519 13.633 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.053 15.242 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.723 15.094 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.377 12.715 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.484 14.145 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.331 13.618 -1.433 1.00 0.00 H new ATOM 1268 N LYS A 78 -7.971 16.936 -1.521 1.00 0.00 N ATOM 1269 CA LYS A 78 -9.089 17.308 -2.364 1.00 0.00 C ATOM 1270 C LYS A 78 -9.431 18.793 -2.231 1.00 0.00 C ATOM 1271 O LYS A 78 -10.222 19.330 -3.008 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.294 16.442 -2.050 1.00 0.00 C ATOM 1273 CG LYS A 78 -10.362 15.194 -2.907 1.00 0.00 C ATOM 1274 CD LYS A 78 -10.742 15.526 -4.341 1.00 0.00 C ATOM 1275 CE LYS A 78 -10.601 14.316 -5.246 1.00 0.00 C ATOM 1276 NZ LYS A 78 -11.285 13.124 -4.687 1.00 0.00 N ATOM 0 H LYS A 78 -8.201 16.267 -0.786 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.797 17.139 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.264 16.154 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.203 17.026 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.397 14.688 -2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.091 14.501 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.770 15.888 -4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.109 16.333 -4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.017 14.546 -6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.544 14.093 -5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.358 12.390 -5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.739 12.756 -3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.238 13.389 -4.367 1.00 0.00 H new ATOM 1290 N ARG A 79 -8.825 19.445 -1.239 1.00 0.00 N ATOM 1291 CA ARG A 79 -9.041 20.861 -0.985 1.00 0.00 C ATOM 1292 C ARG A 79 -8.654 21.711 -2.202 1.00 0.00 C ATOM 1293 O ARG A 79 -9.167 22.815 -2.386 1.00 0.00 O ATOM 1294 CB ARG A 79 -8.232 21.305 0.240 1.00 0.00 C ATOM 1295 CG ARG A 79 -8.538 22.718 0.709 1.00 0.00 C ATOM 1296 CD ARG A 79 -9.948 22.827 1.276 1.00 0.00 C ATOM 1297 NE ARG A 79 -10.289 24.207 1.612 1.00 0.00 N ATOM 1298 CZ ARG A 79 -10.830 24.602 2.766 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -11.100 23.720 3.723 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -11.105 25.882 2.957 1.00 0.00 N ATOM 0 H ARG A 79 -8.172 19.003 -0.592 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.103 21.010 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.425 20.612 1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.170 21.234 0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.815 23.014 1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -8.426 23.411 -0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.663 22.442 0.549 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.031 22.204 2.167 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.099 24.923 0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.894 22.732 3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.514 24.032 4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.903 26.562 2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.519 26.189 3.837 1.00 0.00 H new ATOM 1392 N LEU A 85 -1.111 21.650 -12.260 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.071 20.746 -11.805 1.00 0.00 C ATOM 1394 C LEU A 85 -0.625 19.784 -10.766 1.00 0.00 C ATOM 1395 O LEU A 85 -0.455 18.575 -10.879 1.00 0.00 O ATOM 1396 CB LEU A 85 1.093 21.543 -11.207 1.00 0.00 C ATOM 1397 CG LEU A 85 2.499 21.163 -11.694 1.00 0.00 C ATOM 1398 CD1 LEU A 85 3.545 21.978 -10.961 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.762 19.675 -11.513 1.00 0.00 C ATOM 0 HA LEU A 85 0.290 20.173 -12.659 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.930 22.599 -11.422 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.064 21.430 -10.123 1.00 0.00 H new ATOM 0 HG LEU A 85 2.560 21.386 -12.759 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.537 21.699 -11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.377 23.039 -11.149 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.474 21.783 -9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.765 19.437 -11.867 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.679 19.417 -10.457 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.031 19.104 -12.085 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.310 20.330 -9.765 1.00 0.00 N ATOM 1412 CA GLU A 86 -1.866 19.522 -8.693 1.00 0.00 C ATOM 1413 C GLU A 86 -2.866 18.515 -9.218 1.00 0.00 C ATOM 1414 O GLU A 86 -2.873 17.376 -8.777 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.502 20.384 -7.611 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.521 21.331 -6.940 1.00 0.00 C ATOM 1417 CD GLU A 86 -0.280 20.618 -6.424 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -0.355 19.986 -5.350 1.00 0.00 O ATOM 1419 OE2 GLU A 86 0.774 20.695 -7.094 1.00 0.00 O ATOM 0 H GLU A 86 -1.491 21.330 -9.677 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.035 18.976 -8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.314 20.964 -8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.946 19.736 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.223 22.103 -7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.017 21.835 -6.111 1.00 0.00 H new ATOM 1426 N ARG A 87 -3.709 18.925 -10.166 1.00 0.00 N ATOM 1427 CA ARG A 87 -4.676 18.012 -10.754 1.00 0.00 C ATOM 1428 C ARG A 87 -3.964 16.827 -11.375 1.00 0.00 C ATOM 1429 O ARG A 87 -4.314 15.674 -11.120 1.00 0.00 O ATOM 1430 CB ARG A 87 -5.519 18.727 -11.812 1.00 0.00 C ATOM 1431 CG ARG A 87 -6.587 17.852 -12.453 1.00 0.00 C ATOM 1432 CD ARG A 87 -7.647 17.432 -11.449 1.00 0.00 C ATOM 1433 NE ARG A 87 -8.306 18.587 -10.834 1.00 0.00 N ATOM 1434 CZ ARG A 87 -9.524 19.027 -11.161 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -10.206 18.445 -12.146 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -10.051 20.062 -10.516 1.00 0.00 N ATOM 0 H ARG A 87 -3.739 19.875 -10.537 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.338 17.657 -9.964 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.000 19.592 -11.354 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.859 19.105 -12.592 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.057 18.394 -13.273 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.121 16.965 -12.883 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.392 16.811 -11.946 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.189 16.819 -10.672 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.799 19.090 -10.105 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.798 17.660 -12.654 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.136 18.784 -12.392 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.526 20.520 -9.771 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.981 20.398 -10.765 1.00 0.00 H new ATOM 1450 N PHE A 88 -2.942 17.132 -12.181 1.00 0.00 N ATOM 1451 CA PHE A 88 -2.142 16.116 -12.846 1.00 0.00 C ATOM 1452 C PHE A 88 -1.470 15.204 -11.822 1.00 0.00 C ATOM 1453 O PHE A 88 -1.418 13.990 -11.999 1.00 0.00 O ATOM 1454 CB PHE A 88 -1.093 16.783 -13.747 1.00 0.00 C ATOM 1455 CG PHE A 88 -0.126 15.825 -14.377 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -0.521 15.002 -15.419 1.00 0.00 C ATOM 1457 CD2 PHE A 88 1.182 15.747 -13.927 1.00 0.00 C ATOM 1458 CE1 PHE A 88 0.369 14.120 -15.998 1.00 0.00 C ATOM 1459 CE2 PHE A 88 2.076 14.868 -14.501 1.00 0.00 C ATOM 1460 CZ PHE A 88 1.669 14.052 -15.538 1.00 0.00 C ATOM 0 H PHE A 88 -2.652 18.088 -12.386 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.797 15.503 -13.465 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.605 17.335 -14.535 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.535 17.511 -13.158 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.537 15.051 -15.782 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.506 16.383 -13.116 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.049 13.484 -16.810 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.093 14.818 -14.140 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.367 13.362 -15.989 1.00 0.00 H new ATOM 1470 N ASN A 89 -0.977 15.799 -10.748 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.318 15.046 -9.686 1.00 0.00 C ATOM 1472 C ASN A 89 -1.307 14.109 -8.994 1.00 0.00 C ATOM 1473 O ASN A 89 -1.046 12.915 -8.844 1.00 0.00 O ATOM 1474 CB ASN A 89 0.310 15.986 -8.651 1.00 0.00 C ATOM 1475 CG ASN A 89 1.501 16.768 -9.179 1.00 0.00 C ATOM 1476 OD1 ASN A 89 2.217 16.312 -10.069 1.00 0.00 O ATOM 1477 ND2 ASN A 89 1.726 17.949 -8.620 1.00 0.00 N ATOM 0 H ASN A 89 -1.020 16.805 -10.586 1.00 0.00 H new ATOM 0 HA ASN A 89 0.473 14.453 -10.146 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.448 16.687 -8.303 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.625 15.402 -7.786 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.517 18.515 -8.926 1.00 0.00 H new ATOM 0 HD22 ASN A 89 1.108 18.291 -7.884 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.436 14.668 -8.567 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.491 13.904 -7.889 1.00 0.00 C ATOM 1486 C TYR A 90 -3.945 12.719 -8.728 1.00 0.00 C ATOM 1487 O TYR A 90 -3.918 11.573 -8.267 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.705 14.800 -7.616 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.513 15.870 -6.561 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -3.265 16.143 -6.005 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.596 16.610 -6.123 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -3.113 17.123 -5.047 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -5.451 17.586 -5.174 1.00 0.00 C ATOM 1494 CZ TYR A 90 -4.207 17.840 -4.636 1.00 0.00 C ATOM 1495 OH TYR A 90 -4.067 18.814 -3.682 1.00 0.00 O ATOM 0 H TYR A 90 -2.649 15.659 -8.678 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.073 13.538 -6.951 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.992 15.284 -8.549 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.540 14.167 -7.316 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.403 15.578 -6.329 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.574 16.414 -6.537 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.140 17.324 -4.624 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.309 18.155 -4.848 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.858 18.822 -3.104 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.354 13.002 -9.959 1.00 0.00 N ATOM 1506 CA GLU A 91 -4.844 11.970 -10.858 1.00 0.00 C ATOM 1507 C GLU A 91 -3.773 10.914 -11.120 1.00 0.00 C ATOM 1508 O GLU A 91 -4.068 9.722 -11.163 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.363 12.589 -12.166 1.00 0.00 C ATOM 1510 CG GLU A 91 -4.298 13.170 -13.070 1.00 0.00 C ATOM 1511 CD GLU A 91 -4.866 13.663 -14.379 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -5.413 12.835 -15.144 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -4.773 14.872 -14.656 1.00 0.00 O ATOM 0 H GLU A 91 -4.355 13.941 -10.356 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.682 11.467 -10.375 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.909 11.825 -12.719 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.076 13.375 -11.919 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.800 13.994 -12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.539 12.413 -13.268 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.521 11.353 -11.260 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.423 10.434 -11.512 1.00 0.00 C ATOM 1522 C GLU A 92 -1.191 9.529 -10.315 1.00 0.00 C ATOM 1523 O GLU A 92 -1.068 8.312 -10.464 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.135 11.184 -11.856 1.00 0.00 C ATOM 1525 CG GLU A 92 0.970 10.278 -12.378 1.00 0.00 C ATOM 1526 CD GLU A 92 0.703 9.786 -13.786 1.00 0.00 C ATOM 1527 OE1 GLU A 92 -0.388 9.250 -14.037 1.00 0.00 O ATOM 1528 OE2 GLU A 92 1.597 9.927 -14.646 1.00 0.00 O ATOM 0 H GLU A 92 -2.249 12.334 -11.203 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.702 9.821 -12.369 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.355 11.945 -12.605 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.222 11.705 -10.968 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.917 10.818 -12.359 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.078 9.422 -11.712 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.142 10.119 -9.120 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.934 9.357 -7.901 1.00 0.00 C ATOM 1537 C ALA A 93 -2.023 8.314 -7.725 1.00 0.00 C ATOM 1538 O ALA A 93 -1.747 7.168 -7.391 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.884 10.287 -6.694 1.00 0.00 C ATOM 0 H ALA A 93 -1.244 11.124 -8.976 1.00 0.00 H new ATOM 0 HA ALA A 93 0.022 8.840 -7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.728 9.700 -5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.064 10.995 -6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.825 10.832 -6.615 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.266 8.716 -7.971 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.399 7.808 -7.860 1.00 0.00 C ATOM 1547 C GLN A 94 -4.339 6.733 -8.933 1.00 0.00 C ATOM 1548 O GLN A 94 -4.777 5.601 -8.715 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.719 8.574 -7.917 1.00 0.00 C ATOM 1550 CG GLN A 94 -5.932 9.471 -6.708 1.00 0.00 C ATOM 1551 CD GLN A 94 -7.247 10.218 -6.743 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -8.237 9.742 -7.303 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -7.269 11.388 -6.142 1.00 0.00 N ATOM 0 H GLN A 94 -3.513 9.666 -8.249 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.344 7.313 -6.890 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.743 9.180 -8.822 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.543 7.864 -7.987 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.890 8.865 -5.803 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.115 10.190 -6.649 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.427 11.745 -5.690 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.128 11.938 -6.128 1.00 0.00 H new ATOM 1562 N THR A 95 -3.813 7.091 -10.093 1.00 0.00 N ATOM 1563 CA THR A 95 -3.597 6.130 -11.157 1.00 0.00 C ATOM 1564 C THR A 95 -2.649 5.032 -10.680 1.00 0.00 C ATOM 1565 O THR A 95 -2.960 3.842 -10.769 1.00 0.00 O ATOM 1566 CB THR A 95 -3.002 6.804 -12.413 1.00 0.00 C ATOM 1567 OG1 THR A 95 -3.919 7.778 -12.920 1.00 0.00 O ATOM 1568 CG2 THR A 95 -2.702 5.771 -13.492 1.00 0.00 C ATOM 0 H THR A 95 -3.528 8.044 -10.320 1.00 0.00 H new ATOM 0 HA THR A 95 -4.564 5.701 -11.420 1.00 0.00 H new ATOM 0 HB THR A 95 -2.069 7.292 -12.132 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.009 8.510 -12.275 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.284 6.269 -14.367 1.00 0.00 H new ATOM 0 HG22 THR A 95 -1.984 5.044 -13.111 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.623 5.259 -13.772 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.524 5.445 -10.109 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.523 4.507 -9.648 1.00 0.00 C ATOM 1578 C LEU A 96 -1.027 3.758 -8.425 1.00 0.00 C ATOM 1579 O LEU A 96 -0.740 2.580 -8.245 1.00 0.00 O ATOM 1580 CB LEU A 96 0.792 5.223 -9.330 1.00 0.00 C ATOM 1581 CG LEU A 96 1.402 6.030 -10.486 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.692 6.701 -10.053 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.644 5.142 -11.698 1.00 0.00 C ATOM 0 H LEU A 96 -1.287 6.425 -9.957 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.334 3.790 -10.447 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.625 5.896 -8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.520 4.480 -9.004 1.00 0.00 H new ATOM 0 HG LEU A 96 0.690 6.806 -10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.106 7.267 -10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.490 7.376 -9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.409 5.943 -9.738 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.076 5.736 -12.504 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.331 4.340 -11.430 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.698 4.714 -12.030 1.00 0.00 H new ATOM 1595 N SER A 97 -1.794 4.459 -7.592 1.00 0.00 N ATOM 1596 CA SER A 97 -2.380 3.879 -6.397 1.00 0.00 C ATOM 1597 C SER A 97 -3.218 2.660 -6.752 1.00 0.00 C ATOM 1598 O SER A 97 -3.025 1.578 -6.196 1.00 0.00 O ATOM 1599 CB SER A 97 -3.236 4.923 -5.667 1.00 0.00 C ATOM 1600 OG SER A 97 -3.871 4.371 -4.526 1.00 0.00 O ATOM 0 H SER A 97 -2.023 5.443 -7.731 1.00 0.00 H new ATOM 0 HA SER A 97 -1.575 3.561 -5.734 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.609 5.762 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.990 5.317 -6.349 1.00 0.00 H new ATOM 0 HG SER A 97 -3.991 5.069 -3.848 1.00 0.00 H new ATOM 1606 N LYS A 98 -4.134 2.842 -7.704 1.00 0.00 N ATOM 1607 CA LYS A 98 -5.018 1.775 -8.134 1.00 0.00 C ATOM 1608 C LYS A 98 -4.234 0.631 -8.763 1.00 0.00 C ATOM 1609 O LYS A 98 -4.594 -0.532 -8.608 1.00 0.00 O ATOM 1610 CB LYS A 98 -6.066 2.304 -9.114 1.00 0.00 C ATOM 1611 CG LYS A 98 -7.101 3.224 -8.483 1.00 0.00 C ATOM 1612 CD LYS A 98 -8.198 3.593 -9.478 1.00 0.00 C ATOM 1613 CE LYS A 98 -7.680 4.498 -10.586 1.00 0.00 C ATOM 1614 NZ LYS A 98 -7.301 5.833 -10.078 1.00 0.00 N ATOM 0 H LYS A 98 -4.278 3.727 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.529 1.390 -7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.559 2.841 -9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.579 1.458 -9.572 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.544 2.735 -7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.614 4.130 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.612 2.684 -9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.012 4.093 -8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.816 4.032 -11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.446 4.606 -11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.970 6.424 -10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.126 6.282 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.540 5.734 -9.376 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.147 0.964 -9.460 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.312 -0.058 -10.072 1.00 0.00 C ATOM 1630 C ILE A 99 -1.662 -0.914 -8.989 1.00 0.00 C ATOM 1631 O ILE A 99 -1.647 -2.144 -9.070 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.208 0.554 -10.969 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -1.837 1.318 -12.141 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.270 -0.536 -11.483 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -0.829 2.050 -13.004 1.00 0.00 C ATOM 0 H ILE A 99 -2.831 1.922 -9.611 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.957 -0.671 -10.701 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.625 1.254 -10.371 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.393 0.617 -12.763 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.557 2.037 -11.750 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.499 -0.087 -12.112 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.200 -1.040 -10.638 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.839 -1.260 -12.067 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.348 2.566 -13.811 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.289 2.777 -12.396 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.123 1.334 -13.426 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.144 -0.243 -7.963 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.501 -0.914 -6.841 1.00 0.00 C ATOM 1649 C LEU A 100 -1.495 -1.786 -6.093 1.00 0.00 C ATOM 1650 O LEU A 100 -1.186 -2.912 -5.717 1.00 0.00 O ATOM 1651 CB LEU A 100 0.127 0.105 -5.887 1.00 0.00 C ATOM 1652 CG LEU A 100 1.244 0.970 -6.476 1.00 0.00 C ATOM 1653 CD1 LEU A 100 1.739 1.970 -5.447 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.391 0.101 -6.975 1.00 0.00 C ATOM 0 H LEU A 100 -1.159 0.774 -7.888 1.00 0.00 H new ATOM 0 HA LEU A 100 0.289 -1.551 -7.239 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.660 0.763 -5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.524 -0.430 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 100 0.840 1.521 -7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.533 2.577 -5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.915 2.615 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.125 1.437 -4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.174 0.735 -7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.795 -0.479 -6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.025 -0.576 -7.747 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.700 -1.257 -5.894 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.757 -1.988 -5.213 1.00 0.00 C ATOM 1668 C LEU A 101 -4.129 -3.228 -6.006 1.00 0.00 C ATOM 1669 O LEU A 101 -4.328 -4.305 -5.436 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.994 -1.100 -5.019 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.804 0.135 -4.130 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -6.088 0.945 -4.063 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -4.354 -0.270 -2.732 1.00 0.00 C ATOM 0 H LEU A 101 -2.966 -0.320 -6.198 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.389 -2.288 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.335 -0.768 -5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.791 -1.710 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.025 0.757 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.935 1.818 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.366 1.270 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.885 0.329 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.225 0.622 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.107 -0.916 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.407 -0.806 -2.796 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.209 -3.081 -7.323 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.498 -4.192 -8.204 1.00 0.00 C ATOM 1687 C LYS A 102 -3.402 -5.251 -8.106 1.00 0.00 C ATOM 1688 O LYS A 102 -3.693 -6.456 -8.103 1.00 0.00 O ATOM 1689 CB LYS A 102 -4.657 -3.679 -9.654 1.00 0.00 C ATOM 1690 CG LYS A 102 -4.861 -4.760 -10.716 1.00 0.00 C ATOM 1691 CD LYS A 102 -3.538 -5.246 -11.306 1.00 0.00 C ATOM 1692 CE LYS A 102 -2.831 -4.155 -12.110 1.00 0.00 C ATOM 1693 NZ LYS A 102 -3.632 -3.712 -13.283 1.00 0.00 N ATOM 0 H LYS A 102 -4.075 -2.191 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.435 -4.659 -7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.506 -2.996 -9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.771 -3.100 -9.915 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.392 -5.604 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.491 -4.368 -11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.885 -5.583 -10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.723 -6.107 -11.948 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -2.634 -3.300 -11.463 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -1.865 -4.526 -12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.035 -3.143 -13.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.986 -4.545 -13.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.436 -3.139 -12.958 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.149 -4.813 -8.011 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.034 -5.746 -7.911 1.00 0.00 C ATOM 1709 C ASP A 103 -1.006 -6.434 -6.556 1.00 0.00 C ATOM 1710 O ASP A 103 -0.636 -7.612 -6.464 1.00 0.00 O ATOM 1711 CB ASP A 103 0.301 -5.045 -8.179 1.00 0.00 C ATOM 1712 CG ASP A 103 0.628 -4.939 -9.658 1.00 0.00 C ATOM 1713 OD1 ASP A 103 -0.208 -5.342 -10.494 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.736 -4.474 -9.994 1.00 0.00 O ATOM 0 H ASP A 103 -1.884 -3.828 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.182 -6.508 -8.676 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.274 -4.045 -7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.099 -5.589 -7.674 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.392 -5.725 -5.490 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.482 -6.344 -4.173 1.00 0.00 C ATOM 1721 C LEU A 104 -2.532 -7.441 -4.208 1.00 0.00 C ATOM 1722 O LEU A 104 -2.305 -8.551 -3.719 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.857 -5.304 -3.108 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.846 -4.174 -2.887 1.00 0.00 C ATOM 1725 CD1 LEU A 104 -1.397 -3.153 -1.904 1.00 0.00 C ATOM 1726 CD2 LEU A 104 0.478 -4.731 -2.385 1.00 0.00 C ATOM 0 H LEU A 104 -1.643 -4.737 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.511 -6.766 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.814 -4.860 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.007 -5.821 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.672 -3.678 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.667 -2.357 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.321 -2.730 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.599 -3.639 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.183 -3.913 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.319 -5.252 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.882 -5.427 -3.120 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.682 -7.113 -4.803 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.773 -8.062 -4.978 1.00 0.00 C ATOM 1740 C LYS A 105 -4.321 -9.292 -5.759 1.00 0.00 C ATOM 1741 O LYS A 105 -4.819 -10.392 -5.535 1.00 0.00 O ATOM 1742 CB LYS A 105 -5.962 -7.388 -5.662 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.893 -6.668 -4.700 1.00 0.00 C ATOM 1744 CD LYS A 105 -8.015 -5.961 -5.441 1.00 0.00 C ATOM 1745 CE LYS A 105 -9.171 -5.603 -4.510 1.00 0.00 C ATOM 1746 NZ LYS A 105 -8.754 -4.715 -3.400 1.00 0.00 N ATOM 0 H LYS A 105 -3.878 -6.183 -5.174 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.088 -8.399 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.590 -6.674 -6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.530 -8.141 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.315 -7.384 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.326 -5.942 -4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.629 -5.054 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.380 -6.601 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.958 -5.115 -5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.598 -6.518 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.584 -4.461 -2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.059 -5.208 -2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.325 -3.851 -3.789 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.373 -9.109 -6.673 1.00 0.00 N ATOM 1761 CA GLU A 106 -2.813 -10.239 -7.399 1.00 0.00 C ATOM 1762 C GLU A 106 -2.011 -11.116 -6.466 1.00 0.00 C ATOM 1763 O GLU A 106 -2.098 -12.332 -6.523 1.00 0.00 O ATOM 1764 CB GLU A 106 -1.917 -9.785 -8.548 1.00 0.00 C ATOM 1765 CG GLU A 106 -2.659 -9.374 -9.793 1.00 0.00 C ATOM 1766 CD GLU A 106 -3.510 -10.482 -10.352 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -2.951 -11.464 -10.880 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -4.745 -10.376 -10.272 1.00 0.00 O ATOM 0 H GLU A 106 -2.982 -8.201 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.649 -10.802 -7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -1.309 -8.946 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.231 -10.594 -8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.290 -8.514 -9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.942 -9.054 -10.550 1.00 0.00 H new ATOM 1775 N THR A 107 -1.248 -10.489 -5.592 1.00 0.00 N ATOM 1776 CA THR A 107 -0.399 -11.216 -4.683 1.00 0.00 C ATOM 1777 C THR A 107 -1.232 -12.019 -3.685 1.00 0.00 C ATOM 1778 O THR A 107 -1.066 -13.231 -3.583 1.00 0.00 O ATOM 1779 CB THR A 107 0.540 -10.255 -3.928 1.00 0.00 C ATOM 1780 OG1 THR A 107 1.216 -9.407 -4.872 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.572 -11.030 -3.120 1.00 0.00 C ATOM 0 H THR A 107 -1.202 -9.475 -5.496 1.00 0.00 H new ATOM 0 HA THR A 107 0.204 -11.908 -5.271 1.00 0.00 H new ATOM 0 HB THR A 107 -0.058 -9.652 -3.244 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.584 -8.751 -5.233 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.223 -10.331 -2.596 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.064 -11.666 -2.395 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.169 -11.649 -3.790 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.143 -11.352 -2.975 1.00 0.00 N ATOM 1790 CA GLU A 108 -3.000 -12.025 -1.999 1.00 0.00 C ATOM 1791 C GLU A 108 -3.748 -13.210 -2.622 1.00 0.00 C ATOM 1792 O GLU A 108 -3.693 -14.320 -2.098 1.00 0.00 O ATOM 1793 CB GLU A 108 -3.989 -11.036 -1.354 1.00 0.00 C ATOM 1794 CG GLU A 108 -4.872 -10.306 -2.340 1.00 0.00 C ATOM 1795 CD GLU A 108 -5.976 -9.520 -1.674 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -7.005 -10.130 -1.309 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -5.829 -8.299 -1.514 1.00 0.00 O ATOM 0 H GLU A 108 -2.306 -10.348 -3.057 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.350 -12.418 -1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.621 -11.579 -0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.426 -10.303 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.260 -9.629 -2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.312 -11.027 -3.029 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.421 -12.972 -3.749 1.00 0.00 N ATOM 1805 CA GLN A 109 -5.179 -14.021 -4.420 1.00 0.00 C ATOM 1806 C GLN A 109 -4.281 -15.164 -4.873 1.00 0.00 C ATOM 1807 O GLN A 109 -4.664 -16.326 -4.791 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.983 -13.459 -5.593 1.00 0.00 C ATOM 1809 CG GLN A 109 -7.151 -12.572 -5.170 1.00 0.00 C ATOM 1810 CD GLN A 109 -8.257 -13.340 -4.451 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -8.012 -14.355 -3.795 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -9.478 -12.862 -4.572 1.00 0.00 N ATOM 0 H GLN A 109 -4.455 -12.064 -4.213 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.882 -14.426 -3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.317 -12.884 -6.236 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -6.365 -14.287 -6.189 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -6.781 -11.782 -4.516 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -7.569 -12.086 -6.052 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -9.644 -12.020 -5.123 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -10.258 -13.334 -4.115 1.00 0.00 H new ATOM 1821 N LYS A 110 -3.081 -14.832 -5.333 1.00 0.00 N ATOM 1822 CA LYS A 110 -2.133 -15.846 -5.778 1.00 0.00 C ATOM 1823 C LYS A 110 -1.649 -16.690 -4.588 1.00 0.00 C ATOM 1824 O LYS A 110 -1.565 -17.922 -4.665 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.945 -15.200 -6.510 1.00 0.00 C ATOM 1826 CG LYS A 110 -0.788 -15.648 -7.967 1.00 0.00 C ATOM 1827 CD LYS A 110 -1.316 -14.614 -8.980 1.00 0.00 C ATOM 1828 CE LYS A 110 -2.783 -14.257 -8.757 1.00 0.00 C ATOM 1829 NZ LYS A 110 -3.472 -13.919 -10.024 1.00 0.00 N ATOM 0 H LYS A 110 -2.742 -13.873 -5.408 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.642 -16.506 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.063 -14.117 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.028 -15.434 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.266 -15.840 -8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.317 -16.590 -8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.713 -13.708 -8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.193 -15.006 -9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.291 -15.095 -8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.850 -13.412 -8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.441 -13.601 -9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.954 -13.159 -10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.506 -14.759 -10.636 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.360 -16.009 -3.479 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.927 -16.672 -2.254 1.00 0.00 C ATOM 1845 C VAL A 111 -2.015 -17.615 -1.765 1.00 0.00 C ATOM 1846 O VAL A 111 -1.743 -18.747 -1.373 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.583 -15.645 -1.138 1.00 0.00 C ATOM 1848 CG1 VAL A 111 -0.285 -16.345 0.179 1.00 0.00 C ATOM 1849 CG2 VAL A 111 0.597 -14.783 -1.552 1.00 0.00 C ATOM 0 H VAL A 111 -1.419 -14.993 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.023 -17.237 -2.482 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.453 -15.005 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.048 -15.602 0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.157 -16.919 0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.564 -17.016 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.823 -14.070 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.466 -15.417 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.350 -14.242 -2.466 1.00 0.00 H new ATOM 1859 N LYS A 112 -3.257 -17.139 -1.816 1.00 0.00 N ATOM 1860 CA LYS A 112 -4.411 -17.940 -1.428 1.00 0.00 C ATOM 1861 C LYS A 112 -4.598 -19.104 -2.399 1.00 0.00 C ATOM 1862 O LYS A 112 -5.175 -20.131 -2.050 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.683 -17.079 -1.417 1.00 0.00 C ATOM 1864 CG LYS A 112 -5.666 -15.918 -0.430 1.00 0.00 C ATOM 1865 CD LYS A 112 -6.893 -15.031 -0.615 1.00 0.00 C ATOM 1866 CE LYS A 112 -6.877 -13.832 0.324 1.00 0.00 C ATOM 1867 NZ LYS A 112 -7.088 -14.223 1.742 1.00 0.00 N ATOM 0 H LYS A 112 -3.489 -16.195 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.233 -18.330 -0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.844 -16.682 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.535 -17.719 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.640 -16.302 0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.761 -15.328 -0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.936 -14.683 -1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.794 -15.618 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -5.923 -13.313 0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.653 -13.128 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.103 -13.371 2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.994 -14.725 1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.315 -14.847 2.049 1.00 0.00 H new ATOM 1881 N ASP A 113 -4.106 -18.929 -3.619 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.239 -19.944 -4.652 1.00 0.00 C ATOM 1883 C ASP A 113 -3.288 -21.119 -4.418 1.00 0.00 C ATOM 1884 O ASP A 113 -3.565 -22.244 -4.839 1.00 0.00 O ATOM 1885 CB ASP A 113 -4.027 -19.339 -6.045 1.00 0.00 C ATOM 1886 CG ASP A 113 -4.336 -20.310 -7.169 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -5.290 -21.111 -7.035 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -3.644 -20.260 -8.208 1.00 0.00 O ATOM 0 H ASP A 113 -3.609 -18.089 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.256 -20.332 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.658 -18.457 -6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.994 -19.004 -6.136 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.176 -20.873 -3.722 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.231 -21.949 -3.406 1.00 0.00 C ATOM 1895 C ILE A 114 -1.812 -22.843 -2.299 1.00 0.00 C ATOM 1896 O ILE A 114 -2.154 -22.371 -1.204 1.00 0.00 O ATOM 1897 CB ILE A 114 0.179 -21.391 -2.978 1.00 0.00 C ATOM 1898 CG1 ILE A 114 1.123 -21.290 -4.184 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.820 -22.253 -1.894 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.666 -20.341 -5.265 1.00 0.00 C ATOM 0 H ILE A 114 -1.909 -19.953 -3.371 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.082 -22.539 -4.311 1.00 0.00 H new ATOM 0 HB ILE A 114 0.015 -20.393 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.106 -20.974 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.243 -22.283 -4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.791 -21.837 -1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.176 -22.270 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.952 -23.269 -2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.395 -20.335 -6.076 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.301 -20.665 -5.649 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.574 -19.336 -4.852 1.00 0.00 H new ATOM 1912 N GLN A 115 -1.959 -24.123 -2.613 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.477 -25.096 -1.659 1.00 0.00 C ATOM 1914 C GLN A 115 -1.405 -25.476 -0.636 1.00 0.00 C ATOM 1915 O GLN A 115 -0.317 -25.953 -0.992 1.00 0.00 O ATOM 1916 CB GLN A 115 -2.993 -26.345 -2.382 1.00 0.00 C ATOM 1917 CG GLN A 115 -1.952 -27.031 -3.243 1.00 0.00 C ATOM 1918 CD GLN A 115 -2.475 -28.285 -3.906 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -3.004 -28.237 -5.010 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -2.332 -29.413 -3.240 1.00 0.00 N ATOM 0 H GLN A 115 -1.726 -24.514 -3.526 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.311 -24.637 -1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.363 -27.055 -1.642 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -3.841 -26.066 -3.007 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.606 -26.337 -4.009 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.088 -27.284 -2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -1.886 -29.411 -2.323 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -2.668 -30.288 -3.642 1.00 0.00 H new ATOM 1929 N THR A 116 -1.703 -25.244 0.618 1.00 0.00 N ATOM 1930 CA THR A 116 -0.782 -25.557 1.686 1.00 0.00 C ATOM 1931 C THR A 116 -1.347 -26.623 2.621 1.00 0.00 C ATOM 1932 O THR A 116 -2.425 -27.169 2.365 1.00 0.00 O ATOM 1933 CB THR A 116 -0.432 -24.297 2.485 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.640 -23.626 2.883 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.422 -23.366 1.643 1.00 0.00 C ATOM 0 H THR A 116 -2.585 -24.835 0.928 1.00 0.00 H new ATOM 0 HA THR A 116 0.124 -25.953 1.227 1.00 0.00 H new ATOM 0 HB THR A 116 0.131 -24.583 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.479 -22.660 2.924 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.665 -22.474 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.342 -23.875 1.357 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.128 -23.080 0.746 1.00 0.00 H new ATOM 1943 N GLN A 117 -0.605 -26.901 3.702 1.00 0.00 N ATOM 1944 CA GLN A 117 -0.984 -27.886 4.708 1.00 0.00 C ATOM 1945 C GLN A 117 -0.985 -29.311 4.149 1.00 0.00 C ATOM 1946 O GLN A 117 -1.949 -29.697 3.461 1.00 0.00 O ATOM 1947 CB GLN A 117 -2.331 -27.526 5.351 1.00 0.00 C ATOM 1948 CG GLN A 117 -2.815 -28.529 6.375 1.00 0.00 C ATOM 1949 CD GLN A 117 -4.051 -28.059 7.116 1.00 0.00 C ATOM 1950 OE1 GLN A 117 -4.243 -26.861 7.334 1.00 0.00 O ATOM 1951 NE2 GLN A 117 -4.892 -28.991 7.506 1.00 0.00 N ATOM 1952 OXT GLN A 117 -0.012 -30.047 4.414 1.00 0.00 O ATOM 0 H GLN A 117 0.283 -26.440 3.899 1.00 0.00 H new ATOM 0 HA GLN A 117 -0.225 -27.860 5.490 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.244 -26.550 5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -3.082 -27.432 4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.032 -29.474 5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -2.018 -28.723 7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -4.696 -29.972 7.305 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -5.741 -28.734 8.009 1.00 0.00 H new