USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=17 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 49 LYS NZ :NH3+ 173:sc= 1.16 (180deg=0) USER MOD Set 1.2: A 117 GLN : amide:sc= 1.1 K(o=2.3,f=-8.7!) USER MOD Set 2.1: A 52 GLN : amide:sc= 2.15 K(o=3,f=-0.37) USER MOD Set 2.2: A 116 THR OG1 : rot -136:sc= 0.849 USER MOD Set 3.1: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 94 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 21 GLN : amide:sc= -0.944 K(o=-0.94,f=-5!) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= -0.0445 (180deg=-0.265) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -1.97! C(o=-2!,f=-4!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.427 K(o=-0.43,f=-0.99) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.778 X(o=-0.78,f=-0.35) USER MOD Single : A 44 ASN : amide:sc= -2.28! C(o=-2.3!,f=-4.2!) USER MOD Single : A 46 ASN : amide:sc= -0.201 K(o=-0.2,f=-0.82) USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= -0.708 (180deg=-1.53!) USER MOD Single : A 48 SER OG : rot 180:sc= 0.243 USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 2.25 (180deg=2.18) USER MOD Single : A 63 CYS SG : rot -21:sc= -0.391 USER MOD Single : A 65 MET CE :methyl -110:sc= -0.208 (180deg=-1.13) USER MOD Single : A 70 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.81) USER MOD Single : A 89 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.2) USER MOD Single : A 90 TYR OH : rot 160:sc= -0.155 USER MOD Single : A 95 THR OG1 : rot 69:sc= 1.19 USER MOD Single : A 97 SER OG : rot -82:sc= 0.273 USER MOD Single : A 98 LYS NZ :NH3+ -167:sc=-0.00198 (180deg=-0.18) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 178:sc= 1.29 (180deg=1.21) USER MOD Single : A 107 THR OG1 : rot 72:sc= 1.15 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 110 LYS NZ :NH3+ -168:sc= -0.0275 (180deg=-0.274) USER MOD Single : A 112 LYS NZ :NH3+ 158:sc= 1.26 (180deg=1.22) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 297 N LEU A 18 0.858 17.313 0.108 1.00 0.00 N ATOM 298 CA LEU A 18 0.129 16.054 0.180 1.00 0.00 C ATOM 299 C LEU A 18 0.537 15.112 -0.952 1.00 0.00 C ATOM 300 O LEU A 18 0.652 13.903 -0.753 1.00 0.00 O ATOM 301 CB LEU A 18 -1.377 16.329 0.135 1.00 0.00 C ATOM 302 CG LEU A 18 -1.894 17.325 1.187 1.00 0.00 C ATOM 303 CD1 LEU A 18 -3.368 17.613 0.974 1.00 0.00 C ATOM 304 CD2 LEU A 18 -1.653 16.797 2.595 1.00 0.00 C ATOM 0 HA LEU A 18 0.377 15.563 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.631 16.707 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.906 15.385 0.262 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.341 18.257 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.713 18.320 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.516 18.040 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.936 16.686 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.026 17.518 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.175 15.849 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.585 16.646 2.749 1.00 0.00 H new ATOM 316 N ILE A 19 0.766 15.677 -2.138 1.00 0.00 N ATOM 317 CA ILE A 19 1.200 14.891 -3.285 1.00 0.00 C ATOM 318 C ILE A 19 2.557 14.252 -3.017 1.00 0.00 C ATOM 319 O ILE A 19 2.753 13.072 -3.269 1.00 0.00 O ATOM 320 CB ILE A 19 1.266 15.749 -4.573 1.00 0.00 C ATOM 321 CG1 ILE A 19 -0.144 16.071 -5.052 1.00 0.00 C ATOM 322 CG2 ILE A 19 2.057 15.043 -5.674 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.970 14.837 -5.379 1.00 0.00 C ATOM 0 H ILE A 19 0.657 16.674 -2.326 1.00 0.00 H new ATOM 0 HA ILE A 19 0.460 14.106 -3.439 1.00 0.00 H new ATOM 0 HB ILE A 19 1.786 16.678 -4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.657 16.649 -4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.083 16.703 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.084 15.672 -6.564 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.074 14.858 -5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.578 14.094 -5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.962 15.141 -5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.479 14.269 -6.169 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.062 14.215 -4.489 1.00 0.00 H new ATOM 335 N GLU A 20 3.476 15.038 -2.476 1.00 0.00 N ATOM 336 CA GLU A 20 4.813 14.554 -2.148 1.00 0.00 C ATOM 337 C GLU A 20 4.742 13.392 -1.167 1.00 0.00 C ATOM 338 O GLU A 20 5.535 12.448 -1.237 1.00 0.00 O ATOM 339 CB GLU A 20 5.649 15.687 -1.559 1.00 0.00 C ATOM 340 CG GLU A 20 5.953 16.799 -2.546 1.00 0.00 C ATOM 341 CD GLU A 20 6.909 16.364 -3.626 1.00 0.00 C ATOM 342 OE1 GLU A 20 8.128 16.496 -3.424 1.00 0.00 O ATOM 343 OE2 GLU A 20 6.450 15.885 -4.681 1.00 0.00 O ATOM 0 H GLU A 20 3.320 16.021 -2.253 1.00 0.00 H new ATOM 0 HA GLU A 20 5.285 14.200 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.122 16.108 -0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.588 15.278 -1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.024 17.139 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.376 17.650 -2.012 1.00 0.00 H new ATOM 350 N GLN A 21 3.783 13.466 -0.259 1.00 0.00 N ATOM 351 CA GLN A 21 3.573 12.419 0.722 1.00 0.00 C ATOM 352 C GLN A 21 3.055 11.156 0.028 1.00 0.00 C ATOM 353 O GLN A 21 3.588 10.061 0.229 1.00 0.00 O ATOM 354 CB GLN A 21 2.572 12.891 1.784 1.00 0.00 C ATOM 355 CG GLN A 21 2.489 11.997 3.017 1.00 0.00 C ATOM 356 CD GLN A 21 3.725 12.087 3.902 1.00 0.00 C ATOM 357 OE1 GLN A 21 4.842 12.327 3.427 1.00 0.00 O ATOM 358 NE2 GLN A 21 3.536 11.904 5.193 1.00 0.00 N ATOM 0 H GLN A 21 3.133 14.249 -0.183 1.00 0.00 H new ATOM 0 HA GLN A 21 4.520 12.190 1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.844 13.898 2.099 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.583 12.955 1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.610 12.273 3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.350 10.963 2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.600 11.708 5.549 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.325 11.958 5.837 1.00 0.00 H new ATOM 367 N ALA A 22 2.019 11.326 -0.798 1.00 0.00 N ATOM 368 CA ALA A 22 1.424 10.217 -1.549 1.00 0.00 C ATOM 369 C ALA A 22 2.443 9.556 -2.477 1.00 0.00 C ATOM 370 O ALA A 22 2.493 8.328 -2.601 1.00 0.00 O ATOM 371 CB ALA A 22 0.231 10.710 -2.356 1.00 0.00 C ATOM 0 H ALA A 22 1.572 12.228 -0.964 1.00 0.00 H new ATOM 0 HA ALA A 22 1.091 9.470 -0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.203 9.877 -2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.517 11.126 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.558 11.480 -3.055 1.00 0.00 H new ATOM 377 N ASN A 23 3.259 10.385 -3.113 1.00 0.00 N ATOM 378 CA ASN A 23 4.274 9.916 -4.049 1.00 0.00 C ATOM 379 C ASN A 23 5.330 9.093 -3.338 1.00 0.00 C ATOM 380 O ASN A 23 5.842 8.123 -3.885 1.00 0.00 O ATOM 381 CB ASN A 23 4.927 11.082 -4.801 1.00 0.00 C ATOM 382 CG ASN A 23 4.065 11.610 -5.941 1.00 0.00 C ATOM 383 OD1 ASN A 23 2.840 11.551 -5.895 1.00 0.00 O ATOM 384 ND2 ASN A 23 4.710 12.129 -6.975 1.00 0.00 N ATOM 0 H ASN A 23 3.237 11.398 -2.996 1.00 0.00 H new ATOM 0 HA ASN A 23 3.772 9.281 -4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.129 11.892 -4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.888 10.758 -5.199 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.187 12.497 -7.770 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.730 12.160 -6.977 1.00 0.00 H new ATOM 391 N HIS A 24 5.653 9.468 -2.113 1.00 0.00 N ATOM 392 CA HIS A 24 6.631 8.722 -1.350 1.00 0.00 C ATOM 393 C HIS A 24 6.055 7.371 -0.935 1.00 0.00 C ATOM 394 O HIS A 24 6.765 6.363 -0.914 1.00 0.00 O ATOM 395 CB HIS A 24 7.100 9.513 -0.124 1.00 0.00 C ATOM 396 CG HIS A 24 8.282 8.913 0.577 1.00 0.00 C ATOM 397 ND1 HIS A 24 8.304 8.655 1.925 1.00 0.00 N ATOM 398 CD2 HIS A 24 9.496 8.541 0.107 1.00 0.00 C ATOM 399 CE1 HIS A 24 9.475 8.155 2.259 1.00 0.00 C ATOM 400 NE2 HIS A 24 10.217 8.073 1.175 1.00 0.00 N ATOM 0 H HIS A 24 5.256 10.275 -1.632 1.00 0.00 H new ATOM 0 HA HIS A 24 7.501 8.552 -1.984 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.351 10.527 -0.434 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.274 9.591 0.582 1.00 0.00 H new ATOM 0 HD2 HIS A 24 9.833 8.602 -0.917 1.00 0.00 H new ATOM 0 HE1 HIS A 24 9.776 7.862 3.254 1.00 0.00 H new ATOM 0 HE2 HIS A 24 11.173 7.719 1.136 1.00 0.00 H new ATOM 409 N ALA A 25 4.768 7.355 -0.589 1.00 0.00 N ATOM 410 CA ALA A 25 4.086 6.122 -0.227 1.00 0.00 C ATOM 411 C ALA A 25 4.111 5.105 -1.367 1.00 0.00 C ATOM 412 O ALA A 25 4.442 3.936 -1.152 1.00 0.00 O ATOM 413 CB ALA A 25 2.653 6.416 0.190 1.00 0.00 C ATOM 0 H ALA A 25 4.179 8.187 -0.553 1.00 0.00 H new ATOM 0 HA ALA A 25 4.620 5.683 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.154 5.485 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.654 7.088 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.122 6.887 -0.638 1.00 0.00 H new ATOM 419 N ILE A 26 3.771 5.547 -2.583 1.00 0.00 N ATOM 420 CA ILE A 26 3.763 4.641 -3.734 1.00 0.00 C ATOM 421 C ILE A 26 5.171 4.135 -4.046 1.00 0.00 C ATOM 422 O ILE A 26 5.342 2.990 -4.453 1.00 0.00 O ATOM 423 CB ILE A 26 3.113 5.266 -5.001 1.00 0.00 C ATOM 424 CG1 ILE A 26 3.852 6.532 -5.435 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.639 5.560 -4.749 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.287 7.178 -6.683 1.00 0.00 C ATOM 0 H ILE A 26 3.503 6.508 -2.793 1.00 0.00 H new ATOM 0 HA ILE A 26 3.138 3.795 -3.448 1.00 0.00 H new ATOM 0 HB ILE A 26 3.190 4.543 -5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.823 7.255 -4.619 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.900 6.287 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.197 5.997 -5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.120 4.633 -4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.544 6.260 -3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.866 8.069 -6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.341 6.474 -7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.247 7.456 -6.510 1.00 0.00 H new ATOM 438 N GLU A 27 6.178 4.996 -3.833 1.00 0.00 N ATOM 439 CA GLU A 27 7.579 4.599 -3.997 1.00 0.00 C ATOM 440 C GLU A 27 7.872 3.372 -3.146 1.00 0.00 C ATOM 441 O GLU A 27 8.381 2.349 -3.641 1.00 0.00 O ATOM 442 CB GLU A 27 8.513 5.728 -3.551 1.00 0.00 C ATOM 443 CG GLU A 27 8.630 6.872 -4.532 1.00 0.00 C ATOM 444 CD GLU A 27 9.410 6.486 -5.759 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.655 6.409 -5.673 1.00 0.00 O ATOM 446 OE2 GLU A 27 8.793 6.253 -6.815 1.00 0.00 O ATOM 0 H GLU A 27 6.046 5.967 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 27 7.747 4.378 -5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.159 6.119 -2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.506 5.313 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.633 7.201 -4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.115 7.718 -4.046 1.00 0.00 H new ATOM 453 N LYS A 28 7.537 3.470 -1.867 1.00 0.00 N ATOM 454 CA LYS A 28 7.739 2.370 -0.942 1.00 0.00 C ATOM 455 C LYS A 28 6.913 1.162 -1.362 1.00 0.00 C ATOM 456 O LYS A 28 7.405 0.029 -1.344 1.00 0.00 O ATOM 457 CB LYS A 28 7.367 2.785 0.480 1.00 0.00 C ATOM 458 CG LYS A 28 7.552 1.671 1.502 1.00 0.00 C ATOM 459 CD LYS A 28 7.175 2.121 2.901 1.00 0.00 C ATOM 460 CE LYS A 28 8.060 3.257 3.381 1.00 0.00 C ATOM 461 NZ LYS A 28 9.501 2.895 3.357 1.00 0.00 N ATOM 0 H LYS A 28 7.123 4.303 -1.448 1.00 0.00 H new ATOM 0 HA LYS A 28 8.795 2.100 -0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.976 3.641 0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.328 3.113 0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.942 0.813 1.219 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.590 1.340 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.133 2.441 2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.257 1.279 3.589 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.897 4.133 2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.774 3.534 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.048 3.611 3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.633 1.966 3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.832 2.854 2.372 1.00 0.00 H new ATOM 475 N GLY A 29 5.659 1.417 -1.751 1.00 0.00 N ATOM 476 CA GLY A 29 4.769 0.354 -2.175 1.00 0.00 C ATOM 477 C GLY A 29 5.337 -0.456 -3.314 1.00 0.00 C ATOM 478 O GLY A 29 5.303 -1.679 -3.290 1.00 0.00 O ATOM 0 H GLY A 29 5.247 2.350 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.567 -0.305 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.815 0.784 -2.480 1.00 0.00 H new ATOM 482 N GLU A 30 5.888 0.234 -4.300 1.00 0.00 N ATOM 483 CA GLU A 30 6.465 -0.419 -5.462 1.00 0.00 C ATOM 484 C GLU A 30 7.617 -1.325 -5.061 1.00 0.00 C ATOM 485 O GLU A 30 7.725 -2.457 -5.528 1.00 0.00 O ATOM 486 CB GLU A 30 6.925 0.607 -6.493 1.00 0.00 C ATOM 487 CG GLU A 30 5.785 1.261 -7.249 1.00 0.00 C ATOM 488 CD GLU A 30 6.260 2.307 -8.226 1.00 0.00 C ATOM 489 OE1 GLU A 30 6.514 3.449 -7.806 1.00 0.00 O ATOM 490 OE2 GLU A 30 6.392 1.992 -9.427 1.00 0.00 O ATOM 0 H GLU A 30 5.947 1.252 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 30 5.689 -1.035 -5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.507 1.379 -5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.591 0.120 -7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.224 0.496 -7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.098 1.719 -6.538 1.00 0.00 H new ATOM 497 N HIS A 31 8.454 -0.830 -4.159 1.00 0.00 N ATOM 498 CA HIS A 31 9.622 -1.573 -3.712 1.00 0.00 C ATOM 499 C HIS A 31 9.218 -2.831 -2.928 1.00 0.00 C ATOM 500 O HIS A 31 9.728 -3.920 -3.184 1.00 0.00 O ATOM 501 CB HIS A 31 10.528 -0.678 -2.857 1.00 0.00 C ATOM 502 CG HIS A 31 11.849 -1.303 -2.504 1.00 0.00 C ATOM 503 ND1 HIS A 31 12.190 -1.683 -1.225 1.00 0.00 N ATOM 504 CD2 HIS A 31 12.916 -1.603 -3.277 1.00 0.00 C ATOM 505 CE1 HIS A 31 13.410 -2.186 -1.229 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.870 -2.149 -2.460 1.00 0.00 N ATOM 0 H HIS A 31 8.344 0.085 -3.722 1.00 0.00 H new ATOM 0 HA HIS A 31 10.174 -1.893 -4.596 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.710 0.254 -3.392 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.003 -0.420 -1.937 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.001 -1.442 -4.342 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.940 -2.564 -0.367 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.789 -2.475 -2.759 1.00 0.00 H new ATOM 515 N GLN A 32 8.299 -2.672 -1.984 1.00 0.00 N ATOM 516 CA GLN A 32 7.858 -3.795 -1.156 1.00 0.00 C ATOM 517 C GLN A 32 7.007 -4.785 -1.963 1.00 0.00 C ATOM 518 O GLN A 32 7.049 -5.988 -1.708 1.00 0.00 O ATOM 519 CB GLN A 32 7.124 -3.293 0.116 1.00 0.00 C ATOM 520 CG GLN A 32 5.846 -2.477 -0.124 1.00 0.00 C ATOM 521 CD GLN A 32 4.600 -3.322 -0.383 1.00 0.00 C ATOM 522 OE1 GLN A 32 3.703 -2.910 -1.106 1.00 0.00 O ATOM 523 NE2 GLN A 32 4.528 -4.494 0.223 1.00 0.00 N ATOM 0 H GLN A 32 7.845 -1.784 -1.771 1.00 0.00 H new ATOM 0 HA GLN A 32 8.743 -4.338 -0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.870 -4.157 0.730 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.818 -2.683 0.695 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.666 -1.842 0.743 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.006 -1.816 -0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.294 -4.808 0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.707 -5.085 0.094 1.00 0.00 H new ATOM 532 N LEU A 33 6.266 -4.290 -2.940 1.00 0.00 N ATOM 533 CA LEU A 33 5.448 -5.150 -3.790 1.00 0.00 C ATOM 534 C LEU A 33 6.330 -6.044 -4.654 1.00 0.00 C ATOM 535 O LEU A 33 6.139 -7.263 -4.697 1.00 0.00 O ATOM 536 CB LEU A 33 4.489 -4.292 -4.652 1.00 0.00 C ATOM 537 CG LEU A 33 3.610 -5.022 -5.699 1.00 0.00 C ATOM 538 CD1 LEU A 33 4.334 -5.132 -7.032 1.00 0.00 C ATOM 539 CD2 LEU A 33 3.175 -6.412 -5.205 1.00 0.00 C ATOM 0 H LEU A 33 6.212 -3.297 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 33 4.842 -5.799 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.826 -3.751 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.087 -3.547 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 33 2.710 -4.424 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.697 -5.648 -7.750 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.566 -4.134 -7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.259 -5.693 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.560 -6.893 -5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.057 -7.022 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.598 -6.307 -4.286 1.00 0.00 H new ATOM 551 N LEU A 34 7.318 -5.449 -5.310 1.00 0.00 N ATOM 552 CA LEU A 34 8.212 -6.207 -6.170 1.00 0.00 C ATOM 553 C LEU A 34 9.024 -7.187 -5.336 1.00 0.00 C ATOM 554 O LEU A 34 9.381 -8.276 -5.797 1.00 0.00 O ATOM 555 CB LEU A 34 9.140 -5.259 -6.939 1.00 0.00 C ATOM 556 CG LEU A 34 8.441 -4.243 -7.853 1.00 0.00 C ATOM 557 CD1 LEU A 34 9.435 -3.235 -8.405 1.00 0.00 C ATOM 558 CD2 LEU A 34 7.715 -4.949 -8.990 1.00 0.00 C ATOM 0 H LEU A 34 7.518 -4.450 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 34 7.619 -6.768 -6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.750 -4.713 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.820 -5.858 -7.545 1.00 0.00 H new ATOM 0 HG LEU A 34 7.705 -3.706 -7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.915 -2.526 -9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.905 -2.699 -7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.199 -3.756 -8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.227 -4.209 -9.625 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.432 -5.518 -9.581 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.966 -5.625 -8.579 1.00 0.00 H new ATOM 570 N TYR A 35 9.296 -6.793 -4.097 1.00 0.00 N ATOM 571 CA TYR A 35 10.042 -7.619 -3.173 1.00 0.00 C ATOM 572 C TYR A 35 9.241 -8.859 -2.786 1.00 0.00 C ATOM 573 O TYR A 35 9.712 -9.988 -2.932 1.00 0.00 O ATOM 574 CB TYR A 35 10.427 -6.825 -1.923 1.00 0.00 C ATOM 575 CG TYR A 35 11.184 -7.636 -0.898 1.00 0.00 C ATOM 576 CD1 TYR A 35 12.551 -7.840 -1.020 1.00 0.00 C ATOM 577 CD2 TYR A 35 10.528 -8.206 0.186 1.00 0.00 C ATOM 578 CE1 TYR A 35 13.243 -8.589 -0.090 1.00 0.00 C ATOM 579 CE2 TYR A 35 11.211 -8.953 1.120 1.00 0.00 C ATOM 580 CZ TYR A 35 12.569 -9.143 0.977 1.00 0.00 C ATOM 581 OH TYR A 35 13.258 -9.889 1.908 1.00 0.00 O ATOM 0 H TYR A 35 9.004 -5.895 -3.712 1.00 0.00 H new ATOM 0 HA TYR A 35 10.956 -7.940 -3.673 1.00 0.00 H new ATOM 0 HB2 TYR A 35 11.036 -5.971 -2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.522 -6.427 -1.463 1.00 0.00 H new ATOM 0 HD1 TYR A 35 13.081 -7.406 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.464 -8.061 0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 35 14.307 -8.740 -0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.686 -9.387 1.958 1.00 0.00 H new ATOM 0 HH TYR A 35 12.637 -10.207 2.597 1.00 0.00 H new ATOM 591 N LEU A 36 8.016 -8.643 -2.291 1.00 0.00 N ATOM 592 CA LEU A 36 7.151 -9.734 -1.845 1.00 0.00 C ATOM 593 C LEU A 36 6.833 -10.707 -2.971 1.00 0.00 C ATOM 594 O LEU A 36 6.608 -11.893 -2.721 1.00 0.00 O ATOM 595 CB LEU A 36 5.860 -9.194 -1.227 1.00 0.00 C ATOM 596 CG LEU A 36 6.026 -8.363 0.051 1.00 0.00 C ATOM 597 CD1 LEU A 36 4.676 -7.873 0.543 1.00 0.00 C ATOM 598 CD2 LEU A 36 6.723 -9.176 1.134 1.00 0.00 C ATOM 0 H LEU A 36 7.603 -7.716 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 36 7.701 -10.282 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.352 -8.582 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.205 -10.037 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 36 6.647 -7.497 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.811 -7.285 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.212 -7.254 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.034 -8.728 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.831 -8.568 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.129 -10.061 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.708 -9.482 0.782 1.00 0.00 H new ATOM 610 N GLN A 37 6.795 -10.208 -4.209 1.00 0.00 N ATOM 611 CA GLN A 37 6.554 -11.074 -5.359 1.00 0.00 C ATOM 612 C GLN A 37 7.603 -12.192 -5.430 1.00 0.00 C ATOM 613 O GLN A 37 7.312 -13.303 -5.873 1.00 0.00 O ATOM 614 CB GLN A 37 6.545 -10.279 -6.665 1.00 0.00 C ATOM 615 CG GLN A 37 5.207 -9.632 -6.981 1.00 0.00 C ATOM 616 CD GLN A 37 5.186 -8.979 -8.349 1.00 0.00 C ATOM 617 OE1 GLN A 37 5.905 -9.389 -9.261 1.00 0.00 O ATOM 618 NE2 GLN A 37 4.345 -7.980 -8.511 1.00 0.00 N ATOM 0 H GLN A 37 6.926 -9.222 -4.436 1.00 0.00 H new ATOM 0 HA GLN A 37 5.570 -11.523 -5.228 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.309 -9.504 -6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.820 -10.942 -7.485 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.422 -10.386 -6.930 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.981 -8.884 -6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.766 -7.669 -7.731 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.272 -7.516 -9.417 1.00 0.00 H new ATOM 627 N HIS A 38 8.821 -11.897 -4.974 1.00 0.00 N ATOM 628 CA HIS A 38 9.882 -12.895 -4.948 1.00 0.00 C ATOM 629 C HIS A 38 9.535 -13.986 -3.942 1.00 0.00 C ATOM 630 O HIS A 38 9.711 -15.177 -4.211 1.00 0.00 O ATOM 631 CB HIS A 38 11.225 -12.255 -4.602 1.00 0.00 C ATOM 632 CG HIS A 38 12.392 -13.165 -4.822 1.00 0.00 C ATOM 633 ND1 HIS A 38 13.047 -13.260 -6.024 1.00 0.00 N ATOM 634 CD2 HIS A 38 13.018 -14.022 -3.987 1.00 0.00 C ATOM 635 CE1 HIS A 38 14.026 -14.133 -5.921 1.00 0.00 C ATOM 636 NE2 HIS A 38 14.031 -14.610 -4.693 1.00 0.00 N ATOM 0 H HIS A 38 9.093 -10.980 -4.620 1.00 0.00 H new ATOM 0 HA HIS A 38 9.970 -13.338 -5.940 1.00 0.00 H new ATOM 0 HB2 HIS A 38 11.356 -11.356 -5.204 1.00 0.00 H new ATOM 0 HB3 HIS A 38 11.211 -11.940 -3.558 1.00 0.00 H new ATOM 0 HD2 HIS A 38 12.766 -14.208 -2.954 1.00 0.00 H new ATOM 0 HE1 HIS A 38 14.710 -14.411 -6.709 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.683 -15.304 -4.328 1.00 0.00 H new ATOM 645 N GLN A 39 9.048 -13.565 -2.773 1.00 0.00 N ATOM 646 CA GLN A 39 8.605 -14.498 -1.745 1.00 0.00 C ATOM 647 C GLN A 39 7.515 -15.414 -2.276 1.00 0.00 C ATOM 648 O GLN A 39 7.527 -16.613 -2.023 1.00 0.00 O ATOM 649 CB GLN A 39 8.136 -13.757 -0.491 1.00 0.00 C ATOM 650 CG GLN A 39 9.278 -13.270 0.390 1.00 0.00 C ATOM 651 CD GLN A 39 10.072 -14.420 0.991 1.00 0.00 C ATOM 652 OE1 GLN A 39 9.767 -14.895 2.084 1.00 0.00 O ATOM 653 NE2 GLN A 39 11.089 -14.871 0.286 1.00 0.00 N ATOM 0 H GLN A 39 8.952 -12.582 -2.518 1.00 0.00 H new ATOM 0 HA GLN A 39 9.458 -15.116 -1.466 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.528 -12.903 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.494 -14.417 0.092 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.944 -12.639 -0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.877 -12.650 1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.310 -14.451 -0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.655 -15.641 0.643 1.00 0.00 H new ATOM 662 N LEU A 40 6.553 -14.825 -2.995 1.00 0.00 N ATOM 663 CA LEU A 40 5.485 -15.569 -3.667 1.00 0.00 C ATOM 664 C LEU A 40 6.060 -16.713 -4.506 1.00 0.00 C ATOM 665 O LEU A 40 5.599 -17.850 -4.411 1.00 0.00 O ATOM 666 CB LEU A 40 4.663 -14.592 -4.545 1.00 0.00 C ATOM 667 CG LEU A 40 3.464 -15.166 -5.329 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.504 -14.050 -5.686 1.00 0.00 C ATOM 669 CD2 LEU A 40 3.915 -15.861 -6.606 1.00 0.00 C ATOM 0 H LEU A 40 6.494 -13.815 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 40 4.830 -16.015 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.292 -13.794 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.343 -14.132 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 40 2.970 -15.899 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.659 -14.460 -6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.144 -13.574 -4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.017 -13.312 -6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.045 -16.253 -7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.435 -15.147 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.588 -16.681 -6.356 1.00 0.00 H new ATOM 681 N ASP A 41 7.066 -16.401 -5.323 1.00 0.00 N ATOM 682 CA ASP A 41 7.714 -17.411 -6.170 1.00 0.00 C ATOM 683 C ASP A 41 8.245 -18.562 -5.319 1.00 0.00 C ATOM 684 O ASP A 41 8.110 -19.734 -5.677 1.00 0.00 O ATOM 685 CB ASP A 41 8.857 -16.780 -6.974 1.00 0.00 C ATOM 686 CG ASP A 41 9.427 -17.718 -8.021 1.00 0.00 C ATOM 687 OD1 ASP A 41 10.348 -18.489 -7.701 1.00 0.00 O ATOM 688 OD2 ASP A 41 8.963 -17.667 -9.182 1.00 0.00 O ATOM 0 H ASP A 41 7.451 -15.461 -5.419 1.00 0.00 H new ATOM 0 HA ASP A 41 6.971 -17.804 -6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.495 -15.875 -7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.652 -16.478 -6.292 1.00 0.00 H new ATOM 693 N GLU A 42 8.821 -18.214 -4.175 1.00 0.00 N ATOM 694 CA GLU A 42 9.344 -19.207 -3.249 1.00 0.00 C ATOM 695 C GLU A 42 8.197 -20.010 -2.624 1.00 0.00 C ATOM 696 O GLU A 42 8.289 -21.231 -2.459 1.00 0.00 O ATOM 697 CB GLU A 42 10.197 -18.540 -2.167 1.00 0.00 C ATOM 698 CG GLU A 42 10.639 -19.495 -1.074 1.00 0.00 C ATOM 699 CD GLU A 42 11.786 -18.966 -0.256 1.00 0.00 C ATOM 700 OE1 GLU A 42 11.658 -17.871 0.328 1.00 0.00 O ATOM 701 OE2 GLU A 42 12.824 -19.652 -0.184 1.00 0.00 O ATOM 0 H GLU A 42 8.937 -17.249 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 42 9.982 -19.896 -3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.079 -18.098 -2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.630 -17.724 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.795 -19.700 -0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.929 -20.444 -1.525 1.00 0.00 H new ATOM 708 N LEU A 43 7.126 -19.307 -2.265 1.00 0.00 N ATOM 709 CA LEU A 43 5.935 -19.942 -1.711 1.00 0.00 C ATOM 710 C LEU A 43 5.392 -20.998 -2.666 1.00 0.00 C ATOM 711 O LEU A 43 4.962 -22.059 -2.235 1.00 0.00 O ATOM 712 CB LEU A 43 4.840 -18.915 -1.399 1.00 0.00 C ATOM 713 CG LEU A 43 3.589 -19.475 -0.712 1.00 0.00 C ATOM 714 CD1 LEU A 43 3.919 -19.990 0.675 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.490 -18.429 -0.655 1.00 0.00 C ATOM 0 H LEU A 43 7.059 -18.293 -2.349 1.00 0.00 H new ATOM 0 HA LEU A 43 6.230 -20.421 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.265 -18.138 -0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.539 -18.436 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 43 3.225 -20.314 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.016 -20.382 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.663 -20.783 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.316 -19.175 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.613 -18.849 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.841 -17.563 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.227 -18.122 -1.667 1.00 0.00 H new ATOM 727 N ASN A 44 5.425 -20.703 -3.961 1.00 0.00 N ATOM 728 CA ASN A 44 4.976 -21.648 -4.992 1.00 0.00 C ATOM 729 C ASN A 44 5.772 -22.950 -4.907 1.00 0.00 C ATOM 730 O ASN A 44 5.253 -24.032 -5.180 1.00 0.00 O ATOM 731 CB ASN A 44 5.140 -21.036 -6.391 1.00 0.00 C ATOM 732 CG ASN A 44 4.245 -19.847 -6.649 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.166 -19.739 -6.091 1.00 0.00 O ATOM 734 ND2 ASN A 44 4.684 -18.953 -7.513 1.00 0.00 N ATOM 0 H ASN A 44 5.759 -19.812 -4.329 1.00 0.00 H new ATOM 0 HA ASN A 44 3.921 -21.863 -4.819 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.178 -20.732 -6.524 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.934 -21.802 -7.138 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.115 -18.136 -7.735 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.593 -19.078 -7.959 1.00 0.00 H new ATOM 741 N GLU A 45 7.034 -22.829 -4.537 1.00 0.00 N ATOM 742 CA GLU A 45 7.923 -23.975 -4.414 1.00 0.00 C ATOM 743 C GLU A 45 7.718 -24.729 -3.099 1.00 0.00 C ATOM 744 O GLU A 45 7.650 -25.959 -3.089 1.00 0.00 O ATOM 745 CB GLU A 45 9.375 -23.507 -4.508 1.00 0.00 C ATOM 746 CG GLU A 45 9.696 -22.752 -5.784 1.00 0.00 C ATOM 747 CD GLU A 45 9.561 -23.618 -7.008 1.00 0.00 C ATOM 748 OE1 GLU A 45 10.473 -24.424 -7.266 1.00 0.00 O ATOM 749 OE2 GLU A 45 8.541 -23.507 -7.714 1.00 0.00 O ATOM 0 H GLU A 45 7.473 -21.936 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 45 7.689 -24.660 -5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.596 -22.867 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.031 -24.374 -4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.030 -21.894 -5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.712 -22.362 -5.727 1.00 0.00 H new ATOM 756 N ASN A 46 7.621 -23.997 -1.999 1.00 0.00 N ATOM 757 CA ASN A 46 7.498 -24.617 -0.672 1.00 0.00 C ATOM 758 C ASN A 46 6.075 -25.099 -0.387 1.00 0.00 C ATOM 759 O ASN A 46 5.880 -26.142 0.231 1.00 0.00 O ATOM 760 CB ASN A 46 7.931 -23.635 0.426 1.00 0.00 C ATOM 761 CG ASN A 46 9.427 -23.373 0.442 1.00 0.00 C ATOM 762 OD1 ASN A 46 10.230 -24.241 0.102 1.00 0.00 O ATOM 763 ND2 ASN A 46 9.809 -22.176 0.845 1.00 0.00 N ATOM 0 H ASN A 46 7.624 -22.977 -1.990 1.00 0.00 H new ATOM 0 HA ASN A 46 8.156 -25.486 -0.670 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.405 -22.690 0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.628 -24.029 1.396 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.801 -21.943 0.883 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.112 -21.484 1.119 1.00 0.00 H new ATOM 770 N LYS A 47 5.089 -24.325 -0.854 1.00 0.00 N ATOM 771 CA LYS A 47 3.659 -24.597 -0.567 1.00 0.00 C ATOM 772 C LYS A 47 3.435 -24.595 0.960 1.00 0.00 C ATOM 773 O LYS A 47 2.478 -25.173 1.465 1.00 0.00 O ATOM 774 CB LYS A 47 3.248 -25.962 -1.141 1.00 0.00 C ATOM 775 CG LYS A 47 3.339 -26.059 -2.660 1.00 0.00 C ATOM 776 CD LYS A 47 2.333 -25.146 -3.361 1.00 0.00 C ATOM 777 CE LYS A 47 2.411 -25.318 -4.872 1.00 0.00 C ATOM 778 NZ LYS A 47 1.534 -24.373 -5.602 1.00 0.00 N ATOM 0 H LYS A 47 5.246 -23.501 -1.435 1.00 0.00 H new ATOM 0 HA LYS A 47 3.051 -23.821 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.881 -26.733 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.224 -26.178 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.348 -25.797 -2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.166 -27.090 -2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.325 -25.375 -3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.532 -24.107 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.442 -25.175 -5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.133 -26.339 -5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.303 -24.766 -6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.658 -24.225 -5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.025 -23.464 -5.720 1.00 0.00 H new ATOM 792 N SER A 48 4.341 -23.930 1.666 1.00 0.00 N ATOM 793 CA SER A 48 4.332 -23.873 3.124 1.00 0.00 C ATOM 794 C SER A 48 3.148 -23.088 3.663 1.00 0.00 C ATOM 795 O SER A 48 2.934 -21.933 3.289 1.00 0.00 O ATOM 796 CB SER A 48 5.643 -23.275 3.636 1.00 0.00 C ATOM 797 OG SER A 48 5.608 -23.073 5.040 1.00 0.00 O ATOM 0 H SER A 48 5.109 -23.411 1.240 1.00 0.00 H new ATOM 0 HA SER A 48 4.233 -24.895 3.488 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.470 -23.938 3.383 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.831 -22.325 3.135 1.00 0.00 H new ATOM 0 HG SER A 48 6.460 -22.691 5.337 1.00 0.00 H new ATOM 803 N LYS A 49 2.385 -23.721 4.543 1.00 0.00 N ATOM 804 CA LYS A 49 1.264 -23.068 5.196 1.00 0.00 C ATOM 805 C LYS A 49 1.754 -21.906 6.063 1.00 0.00 C ATOM 806 O LYS A 49 1.148 -20.839 6.080 1.00 0.00 O ATOM 807 CB LYS A 49 0.432 -24.066 6.043 1.00 0.00 C ATOM 808 CG LYS A 49 1.202 -24.769 7.158 1.00 0.00 C ATOM 809 CD LYS A 49 1.908 -26.030 6.669 1.00 0.00 C ATOM 810 CE LYS A 49 2.767 -26.638 7.763 1.00 0.00 C ATOM 811 NZ LYS A 49 3.412 -27.902 7.330 1.00 0.00 N ATOM 0 H LYS A 49 2.525 -24.692 4.821 1.00 0.00 H new ATOM 0 HA LYS A 49 0.611 -22.676 4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.408 -23.531 6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.014 -24.822 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.938 -24.083 7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.515 -25.029 7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.168 -26.758 6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.529 -25.791 5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.535 -25.923 8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.152 -26.828 8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.080 -28.219 8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.685 -28.631 7.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.925 -27.743 6.439 1.00 0.00 H new ATOM 825 N GLU A 50 2.872 -22.113 6.767 1.00 0.00 N ATOM 826 CA GLU A 50 3.436 -21.079 7.618 1.00 0.00 C ATOM 827 C GLU A 50 3.934 -19.901 6.806 1.00 0.00 C ATOM 828 O GLU A 50 3.677 -18.751 7.173 1.00 0.00 O ATOM 829 CB GLU A 50 4.569 -21.626 8.486 1.00 0.00 C ATOM 830 CG GLU A 50 4.103 -22.482 9.646 1.00 0.00 C ATOM 831 CD GLU A 50 3.324 -21.685 10.669 1.00 0.00 C ATOM 832 OE1 GLU A 50 3.898 -20.734 11.251 1.00 0.00 O ATOM 833 OE2 GLU A 50 2.148 -22.005 10.906 1.00 0.00 O ATOM 0 H GLU A 50 3.397 -22.987 6.759 1.00 0.00 H new ATOM 0 HA GLU A 50 2.633 -20.735 8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.239 -22.215 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.149 -20.790 8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.480 -23.293 9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.967 -22.941 10.127 1.00 0.00 H new ATOM 840 N LEU A 51 4.648 -20.169 5.724 1.00 0.00 N ATOM 841 CA LEU A 51 5.144 -19.100 4.870 1.00 0.00 C ATOM 842 C LEU A 51 3.976 -18.337 4.267 1.00 0.00 C ATOM 843 O LEU A 51 3.986 -17.111 4.221 1.00 0.00 O ATOM 844 CB LEU A 51 6.039 -19.665 3.761 1.00 0.00 C ATOM 845 CG LEU A 51 6.710 -18.633 2.847 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.659 -17.745 3.637 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.448 -19.326 1.711 1.00 0.00 C ATOM 0 H LEU A 51 4.896 -21.110 5.417 1.00 0.00 H new ATOM 0 HA LEU A 51 5.741 -18.418 5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.817 -20.272 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.439 -20.333 3.143 1.00 0.00 H new ATOM 0 HG LEU A 51 5.932 -18.001 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.123 -17.021 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.103 -17.218 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.432 -18.359 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.918 -18.578 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.213 -19.984 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.742 -19.913 1.123 1.00 0.00 H new ATOM 859 N GLN A 52 2.955 -19.078 3.842 1.00 0.00 N ATOM 860 CA GLN A 52 1.746 -18.473 3.287 1.00 0.00 C ATOM 861 C GLN A 52 1.120 -17.531 4.300 1.00 0.00 C ATOM 862 O GLN A 52 0.719 -16.413 3.963 1.00 0.00 O ATOM 863 CB GLN A 52 0.738 -19.558 2.888 1.00 0.00 C ATOM 864 CG GLN A 52 -0.629 -19.018 2.485 1.00 0.00 C ATOM 865 CD GLN A 52 -1.580 -20.109 2.053 1.00 0.00 C ATOM 866 OE1 GLN A 52 -2.290 -20.696 2.870 1.00 0.00 O ATOM 867 NE2 GLN A 52 -1.617 -20.375 0.769 1.00 0.00 N ATOM 0 H GLN A 52 2.941 -20.097 3.871 1.00 0.00 H new ATOM 0 HA GLN A 52 2.020 -17.906 2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.149 -20.133 2.058 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.613 -20.248 3.723 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.063 -18.474 3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.508 -18.303 1.671 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.012 -19.865 0.125 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.251 -21.091 0.415 1.00 0.00 H new ATOM 876 N GLU A 53 1.067 -17.979 5.545 1.00 0.00 N ATOM 877 CA GLU A 53 0.499 -17.219 6.620 1.00 0.00 C ATOM 878 C GLU A 53 1.263 -15.915 6.843 1.00 0.00 C ATOM 879 O GLU A 53 0.664 -14.856 6.939 1.00 0.00 O ATOM 880 CB GLU A 53 0.508 -18.056 7.886 1.00 0.00 C ATOM 881 CG GLU A 53 -0.067 -17.344 9.075 1.00 0.00 C ATOM 882 CD GLU A 53 0.125 -18.111 10.352 1.00 0.00 C ATOM 883 OE1 GLU A 53 1.187 -17.948 10.989 1.00 0.00 O ATOM 884 OE2 GLU A 53 -0.775 -18.879 10.730 1.00 0.00 O ATOM 0 H GLU A 53 1.424 -18.891 5.828 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.527 -16.960 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.057 -18.971 7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.533 -18.352 8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.401 -16.364 9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.131 -17.174 8.913 1.00 0.00 H new ATOM 891 N LYS A 54 2.584 -15.999 6.912 1.00 0.00 N ATOM 892 CA LYS A 54 3.409 -14.813 7.154 1.00 0.00 C ATOM 893 C LYS A 54 3.288 -13.837 5.988 1.00 0.00 C ATOM 894 O LYS A 54 3.157 -12.629 6.187 1.00 0.00 O ATOM 895 CB LYS A 54 4.877 -15.211 7.356 1.00 0.00 C ATOM 896 CG LYS A 54 5.085 -16.329 8.374 1.00 0.00 C ATOM 897 CD LYS A 54 4.567 -15.954 9.755 1.00 0.00 C ATOM 898 CE LYS A 54 4.637 -17.142 10.711 1.00 0.00 C ATOM 899 NZ LYS A 54 3.733 -18.249 10.288 1.00 0.00 N ATOM 0 H LYS A 54 3.109 -16.867 6.805 1.00 0.00 H new ATOM 0 HA LYS A 54 3.052 -14.325 8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.292 -15.524 6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.439 -14.334 7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.577 -17.230 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.147 -16.566 8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.154 -15.127 10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.537 -15.606 9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.662 -17.509 10.760 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.367 -16.816 11.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.835 -19.050 10.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.748 -17.916 10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.985 -18.555 9.326 1.00 0.00 H new ATOM 913 N ILE A 55 3.312 -14.379 4.780 1.00 0.00 N ATOM 914 CA ILE A 55 3.192 -13.569 3.577 1.00 0.00 C ATOM 915 C ILE A 55 1.863 -12.807 3.557 1.00 0.00 C ATOM 916 O ILE A 55 1.846 -11.591 3.383 1.00 0.00 O ATOM 917 CB ILE A 55 3.346 -14.412 2.283 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.775 -14.959 2.177 1.00 0.00 C ATOM 919 CG2 ILE A 55 2.999 -13.581 1.050 1.00 0.00 C ATOM 920 CD1 ILE A 55 5.009 -15.842 0.970 1.00 0.00 C ATOM 0 H ILE A 55 3.414 -15.379 4.606 1.00 0.00 H new ATOM 0 HA ILE A 55 4.011 -12.850 3.601 1.00 0.00 H new ATOM 0 HB ILE A 55 2.651 -15.251 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.472 -14.122 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.004 -15.526 3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.114 -14.192 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.968 -13.235 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.667 -12.722 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.043 -16.188 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.339 -16.701 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.814 -15.274 0.060 1.00 0.00 H new ATOM 932 N ILE A 56 0.755 -13.518 3.764 1.00 0.00 N ATOM 933 CA ILE A 56 -0.560 -12.883 3.749 1.00 0.00 C ATOM 934 C ILE A 56 -0.744 -11.943 4.953 1.00 0.00 C ATOM 935 O ILE A 56 -1.414 -10.921 4.852 1.00 0.00 O ATOM 936 CB ILE A 56 -1.727 -13.922 3.680 1.00 0.00 C ATOM 937 CG1 ILE A 56 -3.065 -13.213 3.416 1.00 0.00 C ATOM 938 CG2 ILE A 56 -1.807 -14.750 4.957 1.00 0.00 C ATOM 939 CD1 ILE A 56 -4.238 -14.160 3.244 1.00 0.00 C ATOM 0 H ILE A 56 0.742 -14.522 3.942 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.602 -12.288 2.837 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.521 -14.601 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.276 -12.536 4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.970 -12.601 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.628 -15.463 4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.871 -15.289 5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.980 -14.091 5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.146 -13.585 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.051 -14.821 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.361 -14.755 4.149 1.00 0.00 H new ATOM 951 N ARG A 57 -0.123 -12.288 6.079 1.00 0.00 N ATOM 952 CA ARG A 57 -0.216 -11.472 7.292 1.00 0.00 C ATOM 953 C ARG A 57 0.468 -10.130 7.094 1.00 0.00 C ATOM 954 O ARG A 57 -0.137 -9.085 7.330 1.00 0.00 O ATOM 955 CB ARG A 57 0.401 -12.208 8.488 1.00 0.00 C ATOM 956 CG ARG A 57 -0.612 -12.820 9.451 1.00 0.00 C ATOM 957 CD ARG A 57 -1.599 -13.728 8.737 1.00 0.00 C ATOM 958 NE ARG A 57 -2.414 -14.501 9.676 1.00 0.00 N ATOM 959 CZ ARG A 57 -3.748 -14.522 9.688 1.00 0.00 C ATOM 960 NH1 ARG A 57 -4.443 -13.737 8.873 1.00 0.00 N ATOM 961 NH2 ARG A 57 -4.386 -15.315 10.535 1.00 0.00 N ATOM 0 H ARG A 57 0.450 -13.126 6.179 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.272 -11.295 7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.051 -12.999 8.114 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.032 -11.511 9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.086 -13.388 10.218 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.155 -12.024 9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.250 -13.127 8.102 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.056 -14.410 8.082 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.926 -15.065 10.372 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.957 -13.111 8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.463 -13.760 8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.858 -15.907 11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.406 -15.333 10.547 1.00 0.00 H new ATOM 975 N GLU A 58 1.716 -10.156 6.642 1.00 0.00 N ATOM 976 CA GLU A 58 2.449 -8.928 6.415 1.00 0.00 C ATOM 977 C GLU A 58 1.821 -8.135 5.275 1.00 0.00 C ATOM 978 O GLU A 58 1.772 -6.901 5.314 1.00 0.00 O ATOM 979 CB GLU A 58 3.921 -9.221 6.122 1.00 0.00 C ATOM 980 CG GLU A 58 4.779 -7.982 5.970 1.00 0.00 C ATOM 981 CD GLU A 58 6.244 -8.308 5.819 1.00 0.00 C ATOM 982 OE1 GLU A 58 6.877 -8.690 6.831 1.00 0.00 O ATOM 983 OE2 GLU A 58 6.778 -8.186 4.704 1.00 0.00 O ATOM 0 H GLU A 58 2.233 -11.009 6.429 1.00 0.00 H new ATOM 0 HA GLU A 58 2.398 -8.326 7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.326 -9.834 6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.988 -9.811 5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.444 -7.417 5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.641 -7.340 6.840 1.00 0.00 H new ATOM 990 N LEU A 59 1.310 -8.847 4.281 1.00 0.00 N ATOM 991 CA LEU A 59 0.666 -8.228 3.138 1.00 0.00 C ATOM 992 C LEU A 59 -0.565 -7.460 3.605 1.00 0.00 C ATOM 993 O LEU A 59 -0.798 -6.323 3.200 1.00 0.00 O ATOM 994 CB LEU A 59 0.272 -9.303 2.122 1.00 0.00 C ATOM 995 CG LEU A 59 -0.162 -8.813 0.742 1.00 0.00 C ATOM 996 CD1 LEU A 59 0.952 -8.028 0.082 1.00 0.00 C ATOM 997 CD2 LEU A 59 -0.560 -9.989 -0.127 1.00 0.00 C ATOM 0 H LEU A 59 1.331 -9.866 4.246 1.00 0.00 H new ATOM 0 HA LEU A 59 1.356 -7.533 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.119 -9.977 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.542 -9.891 2.546 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.023 -8.155 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.624 -7.687 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.205 -7.166 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.830 -8.665 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.868 -9.628 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.289 -10.663 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.388 -10.522 0.340 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.330 -8.103 4.480 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.538 -7.524 5.060 1.00 0.00 C ATOM 1011 C ASP A 60 -2.231 -6.238 5.821 1.00 0.00 C ATOM 1012 O ASP A 60 -2.922 -5.228 5.650 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.206 -8.542 5.994 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.315 -7.945 6.831 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.353 -7.564 6.268 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -4.155 -7.859 8.062 1.00 0.00 O ATOM 0 H ASP A 60 -1.129 -9.047 4.810 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.219 -7.275 4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.610 -9.361 5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.451 -8.969 6.654 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.189 -6.274 6.644 1.00 0.00 N ATOM 1022 CA VAL A 61 -0.794 -5.110 7.436 1.00 0.00 C ATOM 1023 C VAL A 61 -0.396 -3.939 6.530 1.00 0.00 C ATOM 1024 O VAL A 61 -0.863 -2.809 6.713 1.00 0.00 O ATOM 1025 CB VAL A 61 0.379 -5.442 8.395 1.00 0.00 C ATOM 1026 CG1 VAL A 61 0.780 -4.218 9.209 1.00 0.00 C ATOM 1027 CG2 VAL A 61 0.005 -6.592 9.319 1.00 0.00 C ATOM 0 H VAL A 61 -0.601 -7.096 6.782 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.660 -4.824 8.033 1.00 0.00 H new ATOM 0 HB VAL A 61 1.234 -5.745 7.790 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.604 -4.477 9.874 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.094 -3.420 8.536 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.071 -3.880 9.801 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.840 -6.811 9.984 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.867 -6.314 9.911 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.226 -7.476 8.725 1.00 0.00 H new ATOM 1037 N VAL A 62 0.445 -4.223 5.543 1.00 0.00 N ATOM 1038 CA VAL A 62 0.897 -3.201 4.600 1.00 0.00 C ATOM 1039 C VAL A 62 -0.275 -2.679 3.772 1.00 0.00 C ATOM 1040 O VAL A 62 -0.404 -1.474 3.554 1.00 0.00 O ATOM 1041 CB VAL A 62 2.005 -3.739 3.658 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.422 -2.678 2.648 1.00 0.00 C ATOM 1043 CG2 VAL A 62 3.212 -4.203 4.464 1.00 0.00 C ATOM 0 H VAL A 62 0.829 -5.152 5.373 1.00 0.00 H new ATOM 0 HA VAL A 62 1.317 -2.384 5.186 1.00 0.00 H new ATOM 0 HB VAL A 62 1.600 -4.591 3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.200 -3.080 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.560 -2.390 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.805 -1.804 3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.980 -4.577 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.611 -3.366 5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.910 -4.998 5.146 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.146 -3.579 3.347 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.305 -3.196 2.560 1.00 0.00 C ATOM 1055 C CYS A 63 -3.220 -2.290 3.377 1.00 0.00 C ATOM 1056 O CYS A 63 -3.733 -1.293 2.875 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.077 -4.431 2.078 1.00 0.00 C ATOM 1058 SG CYS A 63 -4.513 -4.060 1.040 1.00 0.00 S ATOM 0 H CYS A 63 -1.072 -4.579 3.534 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.955 -2.651 1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.397 -5.074 1.519 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.410 -4.998 2.947 1.00 0.00 H new ATOM 0 HG CYS A 63 -4.895 -2.835 1.249 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.396 -2.638 4.646 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.254 -1.889 5.550 1.00 0.00 C ATOM 1066 C ALA A 64 -3.741 -0.476 5.776 1.00 0.00 C ATOM 1067 O ALA A 64 -4.500 0.490 5.634 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.356 -2.617 6.876 1.00 0.00 C ATOM 0 H ALA A 64 -2.947 -3.447 5.075 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.239 -1.814 5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.000 -2.054 7.552 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.779 -3.609 6.715 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.363 -2.713 7.316 1.00 0.00 H new ATOM 1074 N MET A 65 -2.467 -0.341 6.120 1.00 0.00 N ATOM 1075 CA MET A 65 -1.900 0.979 6.384 1.00 0.00 C ATOM 1076 C MET A 65 -1.936 1.843 5.123 1.00 0.00 C ATOM 1077 O MET A 65 -2.189 3.047 5.187 1.00 0.00 O ATOM 1078 CB MET A 65 -0.465 0.877 6.931 1.00 0.00 C ATOM 1079 CG MET A 65 0.573 0.484 5.895 1.00 0.00 C ATOM 1080 SD MET A 65 2.246 0.429 6.556 1.00 0.00 S ATOM 1081 CE MET A 65 2.115 -0.966 7.659 1.00 0.00 C ATOM 0 H MET A 65 -1.812 -1.117 6.222 1.00 0.00 H new ATOM 0 HA MET A 65 -2.513 1.456 7.149 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.184 1.838 7.363 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.448 0.147 7.740 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.318 -0.494 5.487 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.539 1.193 5.068 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.162 -0.619 8.691 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.166 -1.476 7.490 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.937 -1.657 7.471 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.702 1.214 3.976 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.724 1.914 2.702 1.00 0.00 C ATOM 1093 C ILE A 66 -3.135 2.405 2.360 1.00 0.00 C ATOM 1094 O ILE A 66 -3.312 3.555 1.971 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.133 1.041 1.544 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.350 1.368 1.313 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -1.910 1.221 0.250 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.238 1.149 2.520 1.00 0.00 C ATOM 0 H ILE A 66 -1.495 0.218 3.905 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.082 2.788 2.807 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.223 -0.001 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.720 0.756 0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.435 2.409 1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.469 0.599 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.948 0.927 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.871 2.267 -0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.267 1.405 2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.899 1.781 3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.188 0.103 2.823 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.139 1.544 2.544 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.522 1.903 2.233 1.00 0.00 C ATOM 1112 C GLU A 67 -6.033 2.982 3.178 1.00 0.00 C ATOM 1113 O GLU A 67 -6.740 3.905 2.763 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.433 0.673 2.290 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.238 -0.297 1.131 1.00 0.00 C ATOM 1116 CD GLU A 67 -6.835 0.208 -0.171 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -6.417 1.282 -0.656 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -7.729 -0.474 -0.726 1.00 0.00 O ATOM 0 H GLU A 67 -4.020 0.598 2.905 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.540 2.299 1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.255 0.145 3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.472 1.003 2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.172 -0.477 0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.692 -1.255 1.385 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.653 2.867 4.449 1.00 0.00 N ATOM 1126 CA GLY A 68 -6.079 3.828 5.444 1.00 0.00 C ATOM 1127 C GLY A 68 -5.530 5.205 5.168 1.00 0.00 C ATOM 1128 O GLY A 68 -6.244 6.205 5.272 1.00 0.00 O ATOM 0 H GLY A 68 -5.055 2.121 4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.168 3.869 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.753 3.498 6.430 1.00 0.00 H new ATOM 1132 N ALA A 69 -4.262 5.252 4.796 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.607 6.505 4.478 1.00 0.00 C ATOM 1134 C ALA A 69 -4.126 7.048 3.155 1.00 0.00 C ATOM 1135 O ALA A 69 -4.341 8.248 3.012 1.00 0.00 O ATOM 1136 CB ALA A 69 -2.097 6.324 4.429 1.00 0.00 C ATOM 0 H ALA A 69 -3.664 4.430 4.707 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.836 7.226 5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.624 7.276 4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.741 5.976 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.843 5.590 3.664 1.00 0.00 H new ATOM 1142 N GLN A 70 -4.350 6.152 2.201 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.835 6.525 0.878 1.00 0.00 C ATOM 1144 C GLN A 70 -6.215 7.176 0.984 1.00 0.00 C ATOM 1145 O GLN A 70 -6.451 8.251 0.444 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.878 5.290 -0.029 1.00 0.00 C ATOM 1147 CG GLN A 70 -4.934 5.577 -1.520 1.00 0.00 C ATOM 1148 CD GLN A 70 -6.345 5.650 -2.050 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -6.939 6.714 -2.148 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -6.893 4.508 -2.364 1.00 0.00 N ATOM 0 H GLN A 70 -4.201 5.150 2.322 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.152 7.252 0.438 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.997 4.681 0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.748 4.692 0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.426 6.520 -1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.390 4.799 -2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.361 3.643 -2.267 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.853 4.480 -2.707 1.00 0.00 H new ATOM 1159 N GLY A 71 -7.099 6.530 1.740 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.460 7.017 1.895 1.00 0.00 C ATOM 1161 C GLY A 71 -8.527 8.332 2.657 1.00 0.00 C ATOM 1162 O GLY A 71 -9.282 9.251 2.294 1.00 0.00 O ATOM 0 H GLY A 71 -6.895 5.672 2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.909 7.148 0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.053 6.267 2.419 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.732 8.412 3.716 1.00 0.00 N ATOM 1167 CA ALA A 72 -7.690 9.592 4.567 1.00 0.00 C ATOM 1168 C ALA A 72 -7.149 10.777 3.792 1.00 0.00 C ATOM 1169 O ALA A 72 -7.778 11.844 3.728 1.00 0.00 O ATOM 1170 CB ALA A 72 -6.843 9.334 5.803 1.00 0.00 C ATOM 0 H ALA A 72 -7.102 7.665 4.007 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.705 9.820 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.825 10.229 6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.269 8.506 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.826 9.082 5.501 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.980 10.573 3.188 1.00 0.00 N ATOM 1177 CA LEU A 73 -5.324 11.600 2.408 1.00 0.00 C ATOM 1178 C LEU A 73 -6.240 12.093 1.300 1.00 0.00 C ATOM 1179 O LEU A 73 -6.329 13.283 1.065 1.00 0.00 O ATOM 1180 CB LEU A 73 -4.010 11.068 1.821 1.00 0.00 C ATOM 1181 CG LEU A 73 -3.083 12.108 1.189 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -2.589 13.099 2.232 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.910 11.427 0.498 1.00 0.00 C ATOM 0 H LEU A 73 -5.469 9.691 3.230 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.095 12.439 3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.463 10.558 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.250 10.319 1.066 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.651 12.660 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.932 13.828 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.441 13.613 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.040 12.566 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.261 12.182 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.345 10.846 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.283 10.764 -0.283 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.936 11.159 0.644 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.875 11.486 -0.436 1.00 0.00 C ATOM 1197 C GLU A 74 -8.900 12.522 0.011 1.00 0.00 C ATOM 1198 O GLU A 74 -9.053 13.556 -0.619 1.00 0.00 O ATOM 1199 CB GLU A 74 -8.576 10.216 -0.922 1.00 0.00 C ATOM 1200 CG GLU A 74 -8.068 9.692 -2.259 1.00 0.00 C ATOM 1201 CD GLU A 74 -8.552 10.512 -3.442 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -7.878 11.479 -3.819 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -9.618 10.177 -4.007 1.00 0.00 O ATOM 0 H GLU A 74 -6.866 10.161 0.844 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.307 11.918 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.454 9.437 -0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.645 10.414 -1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.978 9.686 -2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.391 8.659 -2.384 1.00 0.00 H new ATOM 1210 N ARG A 75 -9.577 12.253 1.123 1.00 0.00 N ATOM 1211 CA ARG A 75 -10.604 13.173 1.629 1.00 0.00 C ATOM 1212 C ARG A 75 -10.010 14.564 1.882 1.00 0.00 C ATOM 1213 O ARG A 75 -10.630 15.581 1.555 1.00 0.00 O ATOM 1214 CB ARG A 75 -11.250 12.604 2.914 1.00 0.00 C ATOM 1215 CG ARG A 75 -12.435 13.417 3.461 1.00 0.00 C ATOM 1216 CD ARG A 75 -11.975 14.601 4.307 1.00 0.00 C ATOM 1217 NE ARG A 75 -13.091 15.415 4.801 1.00 0.00 N ATOM 1218 CZ ARG A 75 -12.952 16.426 5.672 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -11.763 16.703 6.188 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -14.006 17.146 6.039 1.00 0.00 N ATOM 0 H ARG A 75 -9.439 11.416 1.690 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.382 13.274 0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.588 11.588 2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.486 12.538 3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.041 13.779 2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.073 12.769 4.062 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.397 14.233 5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.309 15.228 3.714 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.029 15.199 4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.950 16.147 5.923 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.661 17.472 6.850 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.928 16.932 5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.894 17.913 6.702 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.820 14.599 2.441 1.00 0.00 N ATOM 1235 CA GLU A 76 -8.167 15.867 2.758 1.00 0.00 C ATOM 1236 C GLU A 76 -7.674 16.578 1.497 1.00 0.00 C ATOM 1237 O GLU A 76 -8.022 17.746 1.263 1.00 0.00 O ATOM 1238 CB GLU A 76 -7.001 15.653 3.729 1.00 0.00 C ATOM 1239 CG GLU A 76 -7.412 15.064 5.072 1.00 0.00 C ATOM 1240 CD GLU A 76 -8.508 15.861 5.751 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -8.303 17.062 6.019 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -9.582 15.287 6.022 1.00 0.00 O ATOM 0 H GLU A 76 -8.279 13.770 2.688 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.912 16.503 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.270 14.992 3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.504 16.608 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.752 14.039 4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.541 15.021 5.727 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.869 15.893 0.688 1.00 0.00 N ATOM 1250 CA LEU A 77 -6.306 16.492 -0.520 1.00 0.00 C ATOM 1251 C LEU A 77 -7.366 16.977 -1.491 1.00 0.00 C ATOM 1252 O LEU A 77 -7.127 17.907 -2.249 1.00 0.00 O ATOM 1253 CB LEU A 77 -5.265 15.553 -1.211 1.00 0.00 C ATOM 1254 CG LEU A 77 -5.711 14.135 -1.648 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -6.734 14.180 -2.770 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -4.502 13.320 -2.088 1.00 0.00 C ATOM 0 H LEU A 77 -6.592 14.924 0.847 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.768 17.381 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.892 16.069 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.422 15.438 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.183 13.662 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.018 13.164 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.616 14.726 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.303 14.682 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.826 12.325 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.014 13.816 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.799 13.235 -1.259 1.00 0.00 H new ATOM 1268 N LYS A 78 -8.555 16.393 -1.432 1.00 0.00 N ATOM 1269 CA LYS A 78 -9.624 16.765 -2.339 1.00 0.00 C ATOM 1270 C LYS A 78 -10.052 18.209 -2.098 1.00 0.00 C ATOM 1271 O LYS A 78 -10.599 18.875 -2.981 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.808 15.825 -2.154 1.00 0.00 C ATOM 1273 CG LYS A 78 -10.658 14.489 -2.874 1.00 0.00 C ATOM 1274 CD LYS A 78 -10.624 14.648 -4.384 1.00 0.00 C ATOM 1275 CE LYS A 78 -10.281 13.332 -5.064 1.00 0.00 C ATOM 1276 NZ LYS A 78 -10.362 13.433 -6.540 1.00 0.00 N ATOM 0 H LYS A 78 -8.800 15.661 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.261 16.682 -3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.948 15.638 -1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.711 16.320 -2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.742 14.001 -2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.486 13.835 -2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.592 15.002 -4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.889 15.405 -4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.275 13.026 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.962 12.555 -4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.121 12.515 -6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.328 13.700 -6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.694 14.156 -6.876 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.810 18.672 -0.885 1.00 0.00 N ATOM 1291 CA ARG A 79 -10.184 20.008 -0.469 1.00 0.00 C ATOM 1292 C ARG A 79 -9.040 21.001 -0.695 1.00 0.00 C ATOM 1293 O ARG A 79 -9.231 22.211 -0.601 1.00 0.00 O ATOM 1294 CB ARG A 79 -10.578 19.997 1.013 1.00 0.00 C ATOM 1295 CG ARG A 79 -11.263 21.270 1.486 1.00 0.00 C ATOM 1296 CD ARG A 79 -11.464 21.271 2.993 1.00 0.00 C ATOM 1297 NE ARG A 79 -10.197 21.397 3.719 1.00 0.00 N ATOM 1298 CZ ARG A 79 -10.085 21.888 4.960 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -11.173 22.253 5.635 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -8.890 22.008 5.521 1.00 0.00 N ATOM 0 H ARG A 79 -9.346 18.127 -0.158 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.034 20.327 -1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.242 19.152 1.195 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.683 19.834 1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.665 22.134 1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.228 21.370 0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.123 22.094 3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.962 20.349 3.292 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.345 21.091 3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.094 22.159 5.207 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.085 22.627 6.580 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.055 21.726 5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.806 22.382 6.466 1.00 0.00 H new ATOM 1392 N LEU A 85 -1.255 22.220 -12.637 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.255 21.267 -12.164 1.00 0.00 C ATOM 1394 C LEU A 85 -0.809 20.429 -11.033 1.00 0.00 C ATOM 1395 O LEU A 85 -0.646 19.216 -11.021 1.00 0.00 O ATOM 1396 CB LEU A 85 1.010 21.994 -11.698 1.00 0.00 C ATOM 1397 CG LEU A 85 2.117 21.103 -11.123 1.00 0.00 C ATOM 1398 CD1 LEU A 85 2.699 20.199 -12.199 1.00 0.00 C ATOM 1399 CD2 LEU A 85 3.203 21.949 -10.478 1.00 0.00 C ATOM 0 HA LEU A 85 0.002 20.612 -12.996 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.419 22.550 -12.542 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.728 22.725 -10.941 1.00 0.00 H new ATOM 0 HG LEU A 85 1.679 20.468 -10.353 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.482 19.577 -11.767 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.912 19.563 -12.604 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.120 20.809 -12.998 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.980 21.299 -10.076 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.637 22.614 -11.224 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.772 22.541 -9.671 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.471 21.084 -10.085 1.00 0.00 N ATOM 1412 CA GLU A 86 -2.052 20.390 -8.948 1.00 0.00 C ATOM 1413 C GLU A 86 -3.041 19.343 -9.413 1.00 0.00 C ATOM 1414 O GLU A 86 -3.009 18.199 -8.957 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.725 21.376 -7.994 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.751 22.329 -7.324 1.00 0.00 C ATOM 1417 CD GLU A 86 -0.734 21.608 -6.457 1.00 0.00 C ATOM 1418 OE1 GLU A 86 0.258 21.079 -7.008 1.00 0.00 O ATOM 1419 OE2 GLU A 86 -0.923 21.568 -5.224 1.00 0.00 O ATOM 0 H GLU A 86 -1.617 22.094 -10.084 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.247 19.890 -8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.466 21.954 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.262 20.818 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.229 22.906 -8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.306 23.040 -6.712 1.00 0.00 H new ATOM 1426 N ARG A 87 -3.906 19.727 -10.344 1.00 0.00 N ATOM 1427 CA ARG A 87 -4.894 18.826 -10.904 1.00 0.00 C ATOM 1428 C ARG A 87 -4.217 17.608 -11.532 1.00 0.00 C ATOM 1429 O ARG A 87 -4.664 16.471 -11.366 1.00 0.00 O ATOM 1430 CB ARG A 87 -5.706 19.562 -11.969 1.00 0.00 C ATOM 1431 CG ARG A 87 -7.140 19.097 -12.099 1.00 0.00 C ATOM 1432 CD ARG A 87 -7.927 19.395 -10.838 1.00 0.00 C ATOM 1433 NE ARG A 87 -9.365 19.368 -11.076 1.00 0.00 N ATOM 1434 CZ ARG A 87 -10.279 19.723 -10.172 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -9.909 20.056 -8.937 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -11.566 19.737 -10.497 1.00 0.00 N ATOM 0 H ARG A 87 -3.939 20.671 -10.729 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.552 18.486 -10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.703 20.627 -11.738 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.210 19.443 -12.932 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.610 19.591 -12.950 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.161 18.026 -12.300 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.672 18.665 -10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.641 20.374 -10.454 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.693 19.058 -11.991 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.922 20.040 -8.678 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.612 20.327 -8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.857 19.476 -11.439 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.264 20.009 -9.805 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.132 17.868 -12.253 1.00 0.00 N ATOM 1451 CA PHE A 88 -2.373 16.830 -12.926 1.00 0.00 C ATOM 1452 C PHE A 88 -1.680 15.915 -11.912 1.00 0.00 C ATOM 1453 O PHE A 88 -1.706 14.690 -12.051 1.00 0.00 O ATOM 1454 CB PHE A 88 -1.350 17.469 -13.873 1.00 0.00 C ATOM 1455 CG PHE A 88 -0.521 16.484 -14.637 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -1.052 15.802 -15.720 1.00 0.00 C ATOM 1457 CD2 PHE A 88 0.791 16.242 -14.275 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -0.286 14.896 -16.426 1.00 0.00 C ATOM 1459 CE2 PHE A 88 1.560 15.337 -14.976 1.00 0.00 C ATOM 1460 CZ PHE A 88 1.022 14.662 -16.053 1.00 0.00 C ATOM 0 H PHE A 88 -2.757 18.807 -12.385 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.059 16.216 -13.510 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.877 18.109 -14.580 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.688 18.112 -13.294 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.075 15.981 -16.015 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.219 16.768 -13.434 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.710 14.371 -17.269 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.583 15.156 -14.682 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.623 13.953 -16.602 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.071 16.521 -10.894 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.394 15.770 -9.832 1.00 0.00 C ATOM 1472 C ASN A 89 -1.367 14.812 -9.178 1.00 0.00 C ATOM 1473 O ASN A 89 -1.105 13.611 -9.068 1.00 0.00 O ATOM 1474 CB ASN A 89 0.174 16.724 -8.766 1.00 0.00 C ATOM 1475 CG ASN A 89 1.401 17.488 -9.226 1.00 0.00 C ATOM 1476 OD1 ASN A 89 2.211 16.981 -10.002 1.00 0.00 O ATOM 1477 ND2 ASN A 89 1.550 18.715 -8.750 1.00 0.00 N ATOM 0 H ASN A 89 -1.031 17.534 -10.780 1.00 0.00 H new ATOM 0 HA ASN A 89 0.428 15.212 -10.280 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.600 17.436 -8.478 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.427 16.150 -7.875 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.358 19.274 -9.025 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.857 19.101 -8.109 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.489 15.361 -8.749 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.553 14.599 -8.119 1.00 0.00 C ATOM 1486 C TYR A 90 -4.015 13.452 -9.000 1.00 0.00 C ATOM 1487 O TYR A 90 -4.022 12.298 -8.572 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.718 15.522 -7.771 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.525 16.243 -6.464 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -3.369 16.971 -6.211 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.479 16.176 -5.475 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -3.176 17.604 -5.006 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -5.294 16.813 -4.274 1.00 0.00 C ATOM 1494 CZ TYR A 90 -4.141 17.522 -4.043 1.00 0.00 C ATOM 1495 OH TYR A 90 -3.947 18.130 -2.829 1.00 0.00 O ATOM 0 H TYR A 90 -2.690 16.358 -8.829 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.162 14.162 -7.200 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.845 16.254 -8.568 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.637 14.937 -7.725 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.608 17.041 -6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.386 15.615 -5.646 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.269 18.161 -4.822 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.055 16.757 -3.510 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.811 18.256 -2.384 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.377 13.777 -10.229 1.00 0.00 N ATOM 1506 CA GLU A 91 -4.850 12.799 -11.199 1.00 0.00 C ATOM 1507 C GLU A 91 -3.843 11.650 -11.345 1.00 0.00 C ATOM 1508 O GLU A 91 -4.203 10.473 -11.231 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.044 13.510 -12.544 1.00 0.00 C ATOM 1510 CG GLU A 91 -6.119 12.913 -13.445 1.00 0.00 C ATOM 1511 CD GLU A 91 -5.816 11.504 -13.904 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -4.829 11.314 -14.643 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -6.592 10.586 -13.563 1.00 0.00 O ATOM 0 H GLU A 91 -4.352 14.732 -10.586 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.794 12.372 -10.861 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.292 14.554 -12.352 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.096 13.501 -13.082 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.070 12.915 -12.912 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.243 13.552 -14.320 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.586 12.000 -11.569 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.555 11.002 -11.785 1.00 0.00 C ATOM 1522 C GLU A 92 -1.291 10.143 -10.551 1.00 0.00 C ATOM 1523 O GLU A 92 -1.250 8.912 -10.652 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.266 11.635 -12.302 1.00 0.00 C ATOM 1525 CG GLU A 92 0.843 10.628 -12.539 1.00 0.00 C ATOM 1526 CD GLU A 92 1.890 11.129 -13.495 1.00 0.00 C ATOM 1527 OE1 GLU A 92 2.821 11.832 -13.055 1.00 0.00 O ATOM 1528 OE2 GLU A 92 1.791 10.811 -14.699 1.00 0.00 O ATOM 0 H GLU A 92 -2.258 12.965 -11.606 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.937 10.331 -12.554 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.476 12.160 -13.234 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.077 12.381 -11.585 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.314 10.382 -11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.413 9.706 -12.929 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.118 10.773 -9.382 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.850 10.033 -8.151 1.00 0.00 C ATOM 1537 C ALA A 93 -1.956 9.034 -7.851 1.00 0.00 C ATOM 1538 O ALA A 93 -1.690 7.887 -7.480 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.671 10.994 -6.985 1.00 0.00 C ATOM 0 H ALA A 93 -1.159 11.786 -9.267 1.00 0.00 H new ATOM 0 HA ALA A 93 0.074 9.473 -8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.472 10.428 -6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.167 11.661 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.580 11.582 -6.855 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.201 9.470 -8.025 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.356 8.612 -7.800 1.00 0.00 C ATOM 1547 C GLN A 94 -4.345 7.446 -8.784 1.00 0.00 C ATOM 1548 O GLN A 94 -4.714 6.329 -8.442 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.652 9.419 -7.918 1.00 0.00 C ATOM 1550 CG GLN A 94 -5.807 10.474 -6.828 1.00 0.00 C ATOM 1551 CD GLN A 94 -6.922 11.464 -7.109 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -7.925 11.133 -7.750 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -6.754 12.683 -6.631 1.00 0.00 N ATOM 0 H GLN A 94 -3.434 10.417 -8.323 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.303 8.206 -6.790 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.681 9.906 -8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.501 8.737 -7.877 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.001 9.979 -5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.867 11.016 -6.719 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.910 12.913 -6.107 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.468 13.394 -6.786 1.00 0.00 H new ATOM 1562 N THR A 95 -3.908 7.721 -10.003 1.00 0.00 N ATOM 1563 CA THR A 95 -3.784 6.687 -11.014 1.00 0.00 C ATOM 1564 C THR A 95 -2.802 5.598 -10.568 1.00 0.00 C ATOM 1565 O THR A 95 -3.133 4.403 -10.571 1.00 0.00 O ATOM 1566 CB THR A 95 -3.309 7.262 -12.362 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.199 8.304 -12.788 1.00 0.00 O ATOM 1568 CG2 THR A 95 -3.262 6.166 -13.423 1.00 0.00 C ATOM 0 H THR A 95 -3.634 8.653 -10.315 1.00 0.00 H new ATOM 0 HA THR A 95 -4.777 6.256 -11.143 1.00 0.00 H new ATOM 0 HB THR A 95 -2.307 7.670 -12.231 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.106 9.077 -12.193 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.924 6.590 -14.369 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.571 5.384 -13.108 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.257 5.740 -13.551 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.610 6.013 -10.142 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.570 5.071 -9.766 1.00 0.00 C ATOM 1578 C LEU A 96 -0.943 4.300 -8.510 1.00 0.00 C ATOM 1579 O LEU A 96 -0.705 3.095 -8.420 1.00 0.00 O ATOM 1580 CB LEU A 96 0.770 5.788 -9.556 1.00 0.00 C ATOM 1581 CG LEU A 96 1.316 6.552 -10.771 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.593 7.290 -10.406 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.567 5.601 -11.937 1.00 0.00 C ATOM 0 H LEU A 96 -1.346 6.994 -10.051 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.468 4.361 -10.587 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.660 6.489 -8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.512 5.050 -9.251 1.00 0.00 H new ATOM 0 HG LEU A 96 0.568 7.283 -11.078 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.966 7.826 -11.279 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.387 8.000 -9.605 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.344 6.574 -10.072 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.954 6.162 -12.788 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.294 4.845 -11.640 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.633 5.115 -12.218 1.00 0.00 H new ATOM 1595 N SER A 97 -1.535 4.995 -7.543 1.00 0.00 N ATOM 1596 CA SER A 97 -1.917 4.373 -6.286 1.00 0.00 C ATOM 1597 C SER A 97 -2.914 3.238 -6.499 1.00 0.00 C ATOM 1598 O SER A 97 -2.755 2.146 -5.950 1.00 0.00 O ATOM 1599 CB SER A 97 -2.452 5.413 -5.298 1.00 0.00 C ATOM 1600 OG SER A 97 -3.336 6.309 -5.930 1.00 0.00 O ATOM 0 H SER A 97 -1.759 5.988 -7.609 1.00 0.00 H new ATOM 0 HA SER A 97 -1.020 3.933 -5.851 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.965 4.910 -4.478 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.620 5.966 -4.862 1.00 0.00 H new ATOM 0 HG SER A 97 -2.822 7.004 -6.392 1.00 0.00 H new ATOM 1606 N LYS A 98 -3.937 3.498 -7.319 1.00 0.00 N ATOM 1607 CA LYS A 98 -4.956 2.501 -7.627 1.00 0.00 C ATOM 1608 C LYS A 98 -4.335 1.283 -8.285 1.00 0.00 C ATOM 1609 O LYS A 98 -4.674 0.144 -7.949 1.00 0.00 O ATOM 1610 CB LYS A 98 -6.022 3.102 -8.542 1.00 0.00 C ATOM 1611 CG LYS A 98 -6.841 4.205 -7.898 1.00 0.00 C ATOM 1612 CD LYS A 98 -7.776 4.854 -8.908 1.00 0.00 C ATOM 1613 CE LYS A 98 -8.632 5.932 -8.263 1.00 0.00 C ATOM 1614 NZ LYS A 98 -9.561 5.372 -7.248 1.00 0.00 N ATOM 0 H LYS A 98 -4.078 4.396 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.423 2.189 -6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.538 3.498 -9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.694 2.309 -8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.421 3.796 -7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.175 4.959 -7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.192 5.289 -9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.419 4.094 -9.351 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.987 6.674 -7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.205 6.449 -9.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.270 6.089 -6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.039 4.535 -7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.025 5.099 -6.400 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.413 1.519 -9.216 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.739 0.428 -9.893 1.00 0.00 C ATOM 1630 C ILE A 99 -1.953 -0.414 -8.889 1.00 0.00 C ATOM 1631 O ILE A 99 -1.998 -1.647 -8.913 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.777 0.938 -10.993 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -2.561 1.685 -12.077 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -1.001 -0.229 -11.598 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -1.688 2.281 -13.164 1.00 0.00 C ATOM 0 H ILE A 99 -3.121 2.450 -9.513 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.509 -0.181 -10.367 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.064 1.630 -10.545 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.275 0.999 -12.533 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.138 2.483 -11.610 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.328 0.143 -12.370 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.421 -0.723 -10.819 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.699 -0.941 -12.038 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.315 2.793 -13.894 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.991 2.993 -12.721 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.130 1.486 -13.659 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.252 0.284 -8.000 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.436 -0.335 -6.969 1.00 0.00 C ATOM 1649 C LEU A 100 -1.273 -1.284 -6.102 1.00 0.00 C ATOM 1650 O LEU A 100 -0.920 -2.448 -5.929 1.00 0.00 O ATOM 1651 CB LEU A 100 0.239 0.773 -6.118 1.00 0.00 C ATOM 1652 CG LEU A 100 1.312 0.343 -5.090 1.00 0.00 C ATOM 1653 CD1 LEU A 100 0.680 -0.156 -3.799 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.241 -0.712 -5.681 1.00 0.00 C ATOM 0 H LEU A 100 -1.237 1.304 -7.978 1.00 0.00 H new ATOM 0 HA LEU A 100 0.342 -0.938 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.698 1.487 -6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.545 1.306 -5.580 1.00 0.00 H new ATOM 0 HG LEU A 100 1.906 1.224 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.463 -0.449 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.079 0.639 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.045 -1.015 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.986 -0.998 -4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.660 -1.589 -5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.742 -0.305 -6.560 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.401 -0.792 -5.592 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.274 -1.602 -4.732 1.00 0.00 C ATOM 1668 C LEU A 101 -3.794 -2.837 -5.451 1.00 0.00 C ATOM 1669 O LEU A 101 -3.892 -3.916 -4.853 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.450 -0.776 -4.198 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.212 -0.029 -2.880 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -3.816 -1.002 -1.779 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.160 1.056 -3.047 1.00 0.00 C ATOM 0 H LEU A 101 -2.734 0.158 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.664 -1.931 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.730 -0.047 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.303 -1.441 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.145 0.455 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.651 -0.454 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.613 -1.731 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.899 -1.519 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.012 1.569 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.220 0.606 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.492 1.773 -3.798 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.118 -2.691 -6.723 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.611 -3.812 -7.505 1.00 0.00 C ATOM 1687 C LYS A 102 -3.537 -4.880 -7.667 1.00 0.00 C ATOM 1688 O LYS A 102 -3.846 -6.073 -7.692 1.00 0.00 O ATOM 1689 CB LYS A 102 -5.117 -3.349 -8.869 1.00 0.00 C ATOM 1690 CG LYS A 102 -6.336 -2.442 -8.789 1.00 0.00 C ATOM 1691 CD LYS A 102 -6.882 -2.112 -10.169 1.00 0.00 C ATOM 1692 CE LYS A 102 -5.882 -1.335 -11.008 1.00 0.00 C ATOM 1693 NZ LYS A 102 -6.422 -1.021 -12.351 1.00 0.00 N ATOM 0 H LYS A 102 -4.049 -1.812 -7.235 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.449 -4.251 -6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.315 -2.821 -9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.363 -4.223 -9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.112 -2.927 -8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.070 -1.520 -8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.147 -3.035 -10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.798 -1.530 -10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.618 -0.410 -10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.965 -1.915 -11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.712 -0.490 -12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.650 -1.905 -12.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.283 -0.447 -12.253 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.277 -4.468 -7.755 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.189 -5.427 -7.894 1.00 0.00 C ATOM 1709 C ASP A 103 -0.987 -6.176 -6.578 1.00 0.00 C ATOM 1710 O ASP A 103 -0.740 -7.387 -6.571 1.00 0.00 O ATOM 1711 CB ASP A 103 0.108 -4.722 -8.296 1.00 0.00 C ATOM 1712 CG ASP A 103 1.131 -5.672 -8.887 1.00 0.00 C ATOM 1713 OD1 ASP A 103 1.671 -6.514 -8.152 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.397 -5.575 -10.104 1.00 0.00 O ATOM 0 H ASP A 103 -1.987 -3.490 -7.733 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.452 -6.137 -8.678 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.118 -3.940 -9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.536 -4.231 -7.422 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.124 -5.466 -5.457 1.00 0.00 N ATOM 1720 CA LEU A 104 -0.980 -6.087 -4.140 1.00 0.00 C ATOM 1721 C LEU A 104 -2.060 -7.138 -3.930 1.00 0.00 C ATOM 1722 O LEU A 104 -1.773 -8.267 -3.522 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.059 -5.028 -3.020 1.00 0.00 C ATOM 1724 CG LEU A 104 0.254 -4.314 -2.640 1.00 0.00 C ATOM 1725 CD1 LEU A 104 1.221 -5.276 -1.981 1.00 0.00 C ATOM 1726 CD2 LEU A 104 0.897 -3.675 -3.847 1.00 0.00 C ATOM 0 H LEU A 104 -1.333 -4.468 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.001 -6.565 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.782 -4.270 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.454 -5.509 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 104 0.006 -3.527 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.139 -4.749 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.769 -5.683 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.451 -6.089 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.821 -3.179 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.121 -4.442 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.215 -2.942 -4.277 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.304 -6.761 -4.212 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.435 -7.667 -4.059 1.00 0.00 C ATOM 1740 C LYS A 105 -4.329 -8.891 -4.957 1.00 0.00 C ATOM 1741 O LYS A 105 -4.736 -9.986 -4.564 1.00 0.00 O ATOM 1742 CB LYS A 105 -5.761 -6.939 -4.277 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.250 -6.202 -3.038 1.00 0.00 C ATOM 1744 CD LYS A 105 -6.623 -7.185 -1.936 1.00 0.00 C ATOM 1745 CE LYS A 105 -6.956 -6.483 -0.632 1.00 0.00 C ATOM 1746 NZ LYS A 105 -7.355 -7.452 0.419 1.00 0.00 N ATOM 0 H LYS A 105 -3.553 -5.831 -4.549 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.408 -8.028 -3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.647 -6.227 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.518 -7.660 -4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.473 -5.526 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.114 -5.588 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.479 -7.779 -2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.797 -7.877 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.091 -5.912 -0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.764 -5.770 -0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.543 -6.944 1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.214 -7.955 0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.587 -8.137 0.569 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.783 -8.721 -6.155 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.599 -9.860 -7.043 1.00 0.00 C ATOM 1762 C GLU A 106 -2.583 -10.809 -6.435 1.00 0.00 C ATOM 1763 O GLU A 106 -2.742 -12.020 -6.492 1.00 0.00 O ATOM 1764 CB GLU A 106 -3.151 -9.420 -8.435 1.00 0.00 C ATOM 1765 CG GLU A 106 -3.121 -10.555 -9.457 1.00 0.00 C ATOM 1766 CD GLU A 106 -2.739 -10.079 -10.836 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -3.549 -9.363 -11.472 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -1.636 -10.416 -11.300 1.00 0.00 O ATOM 0 H GLU A 106 -3.466 -7.826 -6.527 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.556 -10.369 -7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.821 -8.638 -8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.156 -8.980 -8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.413 -11.316 -9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.102 -11.029 -9.498 1.00 0.00 H new ATOM 1775 N THR A 107 -1.557 -10.234 -5.811 1.00 0.00 N ATOM 1776 CA THR A 107 -0.521 -11.009 -5.154 1.00 0.00 C ATOM 1777 C THR A 107 -1.148 -11.845 -4.036 1.00 0.00 C ATOM 1778 O THR A 107 -0.898 -13.051 -3.935 1.00 0.00 O ATOM 1779 CB THR A 107 0.566 -10.080 -4.566 1.00 0.00 C ATOM 1780 OG1 THR A 107 1.063 -9.211 -5.597 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.721 -10.888 -3.989 1.00 0.00 C ATOM 0 H THR A 107 -1.426 -9.224 -5.750 1.00 0.00 H new ATOM 0 HA THR A 107 -0.052 -11.665 -5.887 1.00 0.00 H new ATOM 0 HB THR A 107 0.119 -9.493 -3.764 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.384 -8.539 -5.814 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.472 -10.210 -3.582 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.350 -11.537 -3.196 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.169 -11.495 -4.776 1.00 0.00 H new ATOM 1789 N GLU A 108 -1.959 -11.189 -3.207 1.00 0.00 N ATOM 1790 CA GLU A 108 -2.720 -11.855 -2.147 1.00 0.00 C ATOM 1791 C GLU A 108 -3.500 -13.038 -2.711 1.00 0.00 C ATOM 1792 O GLU A 108 -3.473 -14.135 -2.155 1.00 0.00 O ATOM 1793 CB GLU A 108 -3.697 -10.860 -1.516 1.00 0.00 C ATOM 1794 CG GLU A 108 -4.536 -11.443 -0.395 1.00 0.00 C ATOM 1795 CD GLU A 108 -5.853 -10.723 -0.229 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -5.864 -9.609 0.332 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -6.889 -11.264 -0.683 1.00 0.00 O ATOM 0 H GLU A 108 -2.108 -10.181 -3.250 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.022 -12.219 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.135 -10.010 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.361 -10.478 -2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.724 -12.498 -0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.976 -11.391 0.539 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.188 -12.807 -3.817 1.00 0.00 N ATOM 1805 CA GLN A 109 -4.968 -13.847 -4.453 1.00 0.00 C ATOM 1806 C GLN A 109 -4.096 -15.027 -4.852 1.00 0.00 C ATOM 1807 O GLN A 109 -4.474 -16.169 -4.650 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.720 -13.302 -5.664 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.598 -14.333 -6.357 1.00 0.00 C ATOM 1810 CD GLN A 109 -7.302 -13.778 -7.578 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -6.797 -12.880 -8.253 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -8.473 -14.310 -7.874 1.00 0.00 N ATOM 0 H GLN A 109 -4.220 -11.905 -4.291 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.699 -14.200 -3.726 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -6.341 -12.464 -5.347 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.999 -12.911 -6.382 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -5.986 -15.185 -6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -7.342 -14.704 -5.651 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -8.858 -15.052 -7.290 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.993 -13.979 -8.687 1.00 0.00 H new ATOM 1821 N LYS A 110 -2.923 -14.742 -5.391 1.00 0.00 N ATOM 1822 CA LYS A 110 -2.020 -15.796 -5.838 1.00 0.00 C ATOM 1823 C LYS A 110 -1.543 -16.642 -4.658 1.00 0.00 C ATOM 1824 O LYS A 110 -1.624 -17.879 -4.680 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.800 -15.211 -6.564 1.00 0.00 C ATOM 1826 CG LYS A 110 -1.117 -14.165 -7.631 1.00 0.00 C ATOM 1827 CD LYS A 110 -2.103 -14.668 -8.678 1.00 0.00 C ATOM 1828 CE LYS A 110 -1.544 -15.829 -9.479 1.00 0.00 C ATOM 1829 NZ LYS A 110 -0.261 -15.490 -10.145 1.00 0.00 N ATOM 0 H LYS A 110 -2.572 -13.795 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.578 -16.426 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.138 -14.762 -5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.249 -16.028 -7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.526 -13.276 -7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.193 -13.864 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.025 -14.978 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.360 -13.853 -9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.393 -16.683 -8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.272 -16.132 -10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.022 -16.230 -10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.354 -14.577 -10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.494 -15.425 -9.432 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.083 -15.960 -3.612 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.539 -16.630 -2.452 1.00 0.00 C ATOM 1845 C VAL A 111 -1.602 -17.443 -1.725 1.00 0.00 C ATOM 1846 O VAL A 111 -1.340 -18.558 -1.288 1.00 0.00 O ATOM 1847 CB VAL A 111 0.167 -15.644 -1.473 1.00 0.00 C ATOM 1848 CG1 VAL A 111 1.342 -14.967 -2.152 1.00 0.00 C ATOM 1849 CG2 VAL A 111 -0.792 -14.608 -0.921 1.00 0.00 C ATOM 0 H VAL A 111 -1.080 -14.942 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 111 0.221 -17.318 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 111 0.534 -16.232 -0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.822 -14.283 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.061 -15.721 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.989 -14.410 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.258 -13.942 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.214 -14.028 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.595 -15.108 -0.380 1.00 0.00 H new ATOM 1859 N LYS A 112 -2.809 -16.887 -1.606 1.00 0.00 N ATOM 1860 CA LYS A 112 -3.906 -17.595 -0.962 1.00 0.00 C ATOM 1861 C LYS A 112 -4.471 -18.681 -1.875 1.00 0.00 C ATOM 1862 O LYS A 112 -5.205 -19.565 -1.430 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.001 -16.612 -0.505 1.00 0.00 C ATOM 1864 CG LYS A 112 -5.900 -16.051 -1.601 1.00 0.00 C ATOM 1865 CD LYS A 112 -6.718 -14.877 -1.063 1.00 0.00 C ATOM 1866 CE LYS A 112 -7.774 -14.397 -2.050 1.00 0.00 C ATOM 1867 NZ LYS A 112 -8.510 -13.209 -1.541 1.00 0.00 N ATOM 0 H LYS A 112 -3.046 -15.955 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.515 -18.089 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.629 -17.116 0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.521 -15.777 0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.295 -15.725 -2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.567 -16.831 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.203 -15.173 -0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.048 -14.051 -0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.298 -14.150 -2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.480 -15.204 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.933 -12.694 -2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.261 -13.518 -0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.851 -12.583 -1.035 1.00 0.00 H new ATOM 1881 N ASP A 113 -4.119 -18.606 -3.150 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.544 -19.601 -4.132 1.00 0.00 C ATOM 1883 C ASP A 113 -3.692 -20.864 -4.019 1.00 0.00 C ATOM 1884 O ASP A 113 -4.135 -21.960 -4.388 1.00 0.00 O ATOM 1885 CB ASP A 113 -4.467 -19.037 -5.552 1.00 0.00 C ATOM 1886 CG ASP A 113 -5.075 -19.962 -6.578 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -6.319 -19.993 -6.687 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -4.314 -20.651 -7.295 1.00 0.00 O ATOM 0 H ASP A 113 -3.536 -17.862 -3.534 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.582 -19.858 -3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.980 -18.076 -5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.424 -18.851 -5.809 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.471 -20.718 -3.497 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.604 -21.879 -3.270 1.00 0.00 C ATOM 1895 C ILE A 114 -2.200 -22.736 -2.153 1.00 0.00 C ATOM 1896 O ILE A 114 -2.418 -22.259 -1.036 1.00 0.00 O ATOM 1897 CB ILE A 114 -0.135 -21.456 -2.886 1.00 0.00 C ATOM 1898 CG1 ILE A 114 0.754 -21.332 -4.126 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.497 -22.436 -1.900 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.421 -20.179 -5.030 1.00 0.00 C ATOM 0 H ILE A 114 -2.064 -19.822 -3.227 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.548 -22.445 -4.200 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.209 -20.480 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.791 -21.235 -3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.684 -22.256 -4.699 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.509 -22.109 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.099 -22.470 -0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.533 -23.430 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.104 -20.174 -5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.603 -20.282 -5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.521 -19.244 -4.479 1.00 0.00 H new ATOM 1912 N GLN A 115 -2.506 -23.987 -2.470 1.00 0.00 N ATOM 1913 CA GLN A 115 -3.064 -24.906 -1.494 1.00 0.00 C ATOM 1914 C GLN A 115 -2.010 -25.331 -0.475 1.00 0.00 C ATOM 1915 O GLN A 115 -0.934 -25.816 -0.834 1.00 0.00 O ATOM 1916 CB GLN A 115 -3.645 -26.135 -2.197 1.00 0.00 C ATOM 1917 CG GLN A 115 -2.653 -26.865 -3.087 1.00 0.00 C ATOM 1918 CD GLN A 115 -3.241 -28.107 -3.715 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -3.164 -29.197 -3.150 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -3.836 -27.953 -4.878 1.00 0.00 N ATOM 0 H GLN A 115 -2.376 -24.387 -3.399 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.863 -24.391 -0.961 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -4.020 -26.828 -1.444 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -4.499 -25.826 -2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.312 -26.192 -3.873 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.777 -27.139 -2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -3.877 -27.031 -5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -4.256 -28.756 -5.346 1.00 0.00 H new ATOM 1929 N THR A 116 -2.315 -25.127 0.782 1.00 0.00 N ATOM 1930 CA THR A 116 -1.423 -25.498 1.853 1.00 0.00 C ATOM 1931 C THR A 116 -2.122 -26.468 2.807 1.00 0.00 C ATOM 1932 O THR A 116 -3.155 -27.057 2.454 1.00 0.00 O ATOM 1933 CB THR A 116 -0.968 -24.246 2.617 1.00 0.00 C ATOM 1934 OG1 THR A 116 -2.120 -23.526 3.093 1.00 0.00 O ATOM 1935 CG2 THR A 116 -0.144 -23.347 1.710 1.00 0.00 C ATOM 0 H THR A 116 -3.188 -24.700 1.092 1.00 0.00 H new ATOM 0 HA THR A 116 -0.548 -25.990 1.428 1.00 0.00 H new ATOM 0 HB THR A 116 -0.353 -24.552 3.463 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.996 -22.567 2.932 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.172 -22.463 2.264 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.734 -23.890 1.360 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.747 -23.043 0.854 1.00 0.00 H new ATOM 1943 N GLN A 117 -1.572 -26.643 3.999 1.00 0.00 N ATOM 1944 CA GLN A 117 -2.208 -27.471 4.999 1.00 0.00 C ATOM 1945 C GLN A 117 -3.162 -26.630 5.824 1.00 0.00 C ATOM 1946 O GLN A 117 -4.375 -26.655 5.538 1.00 0.00 O ATOM 1947 CB GLN A 117 -1.193 -28.165 5.905 1.00 0.00 C ATOM 1948 CG GLN A 117 -0.342 -29.206 5.193 1.00 0.00 C ATOM 1949 CD GLN A 117 0.499 -30.020 6.156 1.00 0.00 C ATOM 1950 OE1 GLN A 117 1.628 -29.661 6.465 1.00 0.00 O ATOM 1951 NE2 GLN A 117 -0.050 -31.119 6.635 1.00 0.00 N ATOM 1952 OXT GLN A 117 -2.695 -25.911 6.721 1.00 0.00 O ATOM 0 H GLN A 117 -0.690 -26.222 4.292 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.761 -28.254 4.480 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -0.538 -27.412 6.343 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.723 -28.644 6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -0.989 -29.874 4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 117 0.311 -28.709 4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -0.994 -31.383 6.352 1.00 0.00 H new ATOM 0 HE22 GLN A 117 0.469 -31.705 7.289 1.00 0.00 H new