USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 559 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 54 TYR OH : rot 130:sc= -0.0408 USER MOD Set 1.2: A 95 GLN : amide:sc= 1.01 K(o=0.97,f=-0.5!) USER MOD Single : A 24 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.76) USER MOD Single : A 26 ASN : amide:sc= -2.28 K(o=-2.3,f=-7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.0284 K(o=-0.028,f=-0.56) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -136:sc= -0.126 (180deg=-0.976) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot -46:sc= 0.746 USER MOD Single : A 58 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.77) USER MOD Single : A 61 SER OG : rot 130:sc= 0.164 USER MOD Single : A 62 MET CE :methyl -179:sc= -2.54! (180deg=-2.58!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 72 GLN : amide:sc= -0.767 K(o=-0.77,f=0.22) USER MOD Single : A 75 ASN : amide:sc= 0.0107 X(o=0.011,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.5!) USER MOD Single : A 85 MET CE :methyl 151:sc= -9.96! (180deg=-11!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 24 7.230 7.823 12.859 1.00 0.00 N ATOM 308 CA HIS A 24 6.682 7.084 11.728 1.00 0.00 C ATOM 309 C HIS A 24 7.633 5.972 11.294 1.00 0.00 C ATOM 310 O HIS A 24 8.813 5.980 11.644 1.00 0.00 O ATOM 311 CB HIS A 24 6.415 8.028 10.556 1.00 0.00 C ATOM 312 CG HIS A 24 6.011 9.407 10.978 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.917 9.659 11.778 1.00 0.00 N ATOM 314 CD2 HIS A 24 6.563 10.613 10.707 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.812 10.961 11.980 1.00 0.00 C ATOM 316 NE2 HIS A 24 5.800 11.562 11.341 1.00 0.00 N ATOM 0 HA HIS A 24 5.741 6.632 12.042 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.313 8.093 9.941 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.630 7.604 9.930 1.00 0.00 H new ATOM 0 HD2 HIS A 24 7.440 10.795 10.104 1.00 0.00 H new ATOM 0 HE1 HIS A 24 4.049 11.450 12.567 1.00 0.00 H new ATOM 0 HE2 HIS A 24 5.968 12.568 11.322 1.00 0.00 H new ATOM 325 N ILE A 25 7.110 5.018 10.532 1.00 0.00 N ATOM 326 CA ILE A 25 7.913 3.900 10.051 1.00 0.00 C ATOM 327 C ILE A 25 7.830 3.777 8.533 1.00 0.00 C ATOM 328 O ILE A 25 6.788 4.040 7.935 1.00 0.00 O ATOM 329 CB ILE A 25 7.465 2.571 10.687 1.00 0.00 C ATOM 330 CG1 ILE A 25 5.971 2.343 10.449 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.777 2.565 12.176 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.406 1.177 11.229 1.00 0.00 C ATOM 0 H ILE A 25 6.135 4.996 10.234 1.00 0.00 H new ATOM 0 HA ILE A 25 8.944 4.104 10.341 1.00 0.00 H new ATOM 0 HB ILE A 25 8.016 1.757 10.217 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.426 3.248 10.718 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.802 2.174 9.385 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.455 1.619 12.612 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.850 2.685 12.323 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.250 3.386 12.661 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.343 1.075 11.011 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.925 0.262 10.943 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.543 1.353 12.296 1.00 0.00 H new ATOM 344 N ASN A 26 8.936 3.373 7.916 1.00 0.00 N ATOM 345 CA ASN A 26 8.988 3.213 6.468 1.00 0.00 C ATOM 346 C ASN A 26 9.142 1.744 6.087 1.00 0.00 C ATOM 347 O ASN A 26 10.157 1.116 6.389 1.00 0.00 O ATOM 348 CB ASN A 26 10.147 4.026 5.886 1.00 0.00 C ATOM 349 CG ASN A 26 10.127 5.471 6.344 1.00 0.00 C ATOM 350 OD1 ASN A 26 9.767 6.370 5.584 1.00 0.00 O ATOM 351 ND2 ASN A 26 10.516 5.701 7.593 1.00 0.00 N ATOM 0 H ASN A 26 9.808 3.151 8.397 1.00 0.00 H new ATOM 0 HA ASN A 26 8.049 3.581 6.053 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.092 3.568 6.179 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.100 3.992 4.798 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.524 6.654 7.957 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.806 4.925 8.188 1.00 0.00 H new ATOM 358 N LEU A 27 8.127 1.201 5.423 1.00 0.00 N ATOM 359 CA LEU A 27 8.148 -0.195 5.001 1.00 0.00 C ATOM 360 C LEU A 27 8.441 -0.307 3.508 1.00 0.00 C ATOM 361 O LEU A 27 7.815 0.366 2.689 1.00 0.00 O ATOM 362 CB LEU A 27 6.811 -0.865 5.321 1.00 0.00 C ATOM 363 CG LEU A 27 6.133 -0.424 6.619 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.781 -1.103 6.772 1.00 0.00 C ATOM 365 CD2 LEU A 27 7.023 -0.727 7.815 1.00 0.00 C ATOM 0 H LEU A 27 7.279 1.707 5.165 1.00 0.00 H new ATOM 0 HA LEU A 27 8.942 -0.703 5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.126 -0.676 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.969 -1.943 5.365 1.00 0.00 H new ATOM 0 HG LEU A 27 5.972 0.653 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.313 -0.777 7.701 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.142 -0.835 5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.917 -2.184 6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.525 -0.407 8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.216 -1.799 7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.967 -0.193 7.710 1.00 0.00 H new ATOM 377 N LYS A 28 9.396 -1.164 3.161 1.00 0.00 N ATOM 378 CA LYS A 28 9.771 -1.369 1.767 1.00 0.00 C ATOM 379 C LYS A 28 8.959 -2.501 1.146 1.00 0.00 C ATOM 380 O LYS A 28 9.117 -3.665 1.512 1.00 0.00 O ATOM 381 CB LYS A 28 11.265 -1.680 1.660 1.00 0.00 C ATOM 382 CG LYS A 28 12.156 -0.470 1.881 1.00 0.00 C ATOM 383 CD LYS A 28 13.610 -0.874 2.064 1.00 0.00 C ATOM 384 CE LYS A 28 13.884 -1.342 3.485 1.00 0.00 C ATOM 385 NZ LYS A 28 14.983 -2.345 3.536 1.00 0.00 N ATOM 0 H LYS A 28 9.924 -1.728 3.827 1.00 0.00 H new ATOM 0 HA LYS A 28 9.558 -0.450 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.521 -2.447 2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.471 -2.097 0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.070 0.207 1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.816 0.078 2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.858 -1.671 1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.256 -0.029 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.145 -0.485 4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.977 -1.775 3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.139 -2.639 4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.723 -3.174 2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.855 -1.924 3.158 1.00 0.00 H new ATOM 399 N VAL A 29 8.090 -2.151 0.202 1.00 0.00 N ATOM 400 CA VAL A 29 7.256 -3.139 -0.472 1.00 0.00 C ATOM 401 C VAL A 29 7.914 -3.630 -1.757 1.00 0.00 C ATOM 402 O VAL A 29 8.365 -2.833 -2.579 1.00 0.00 O ATOM 403 CB VAL A 29 5.866 -2.564 -0.807 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.973 -3.641 -1.404 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.228 -1.957 0.433 1.00 0.00 C ATOM 0 H VAL A 29 7.946 -1.192 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 29 7.139 -3.977 0.215 1.00 0.00 H new ATOM 0 HB VAL A 29 5.987 -1.774 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.996 -3.217 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.427 -4.024 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.856 -4.455 -0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.247 -1.556 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.118 -2.725 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.861 -1.155 0.812 1.00 0.00 H new ATOM 415 N ALA A 30 7.964 -4.947 -1.923 1.00 0.00 N ATOM 416 CA ALA A 30 8.565 -5.545 -3.109 1.00 0.00 C ATOM 417 C ALA A 30 7.498 -6.114 -4.037 1.00 0.00 C ATOM 418 O ALA A 30 6.635 -6.881 -3.611 1.00 0.00 O ATOM 419 CB ALA A 30 9.553 -6.631 -2.710 1.00 0.00 C ATOM 0 H ALA A 30 7.596 -5.621 -1.251 1.00 0.00 H new ATOM 0 HA ALA A 30 9.100 -4.763 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.994 -7.069 -3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.340 -6.198 -2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.034 -7.406 -2.146 1.00 0.00 H new ATOM 479 N VAL A 36 10.843 -0.934 -6.283 1.00 0.00 N ATOM 480 CA VAL A 36 10.513 -0.973 -4.864 1.00 0.00 C ATOM 481 C VAL A 36 9.679 0.237 -4.459 1.00 0.00 C ATOM 482 O VAL A 36 9.979 1.368 -4.842 1.00 0.00 O ATOM 483 CB VAL A 36 11.784 -1.021 -3.994 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.428 -0.882 -2.521 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.554 -2.308 -4.246 1.00 0.00 C ATOM 0 HA VAL A 36 9.933 -1.881 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 36 12.424 -0.183 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.338 -0.918 -1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.923 0.070 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.768 -1.698 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.448 -2.325 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.924 -3.163 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.842 -2.360 -5.296 1.00 0.00 H new ATOM 495 N VAL A 37 8.628 -0.008 -3.682 1.00 0.00 N ATOM 496 CA VAL A 37 7.750 1.061 -3.224 1.00 0.00 C ATOM 497 C VAL A 37 7.769 1.174 -1.704 1.00 0.00 C ATOM 498 O VAL A 37 7.458 0.216 -0.997 1.00 0.00 O ATOM 499 CB VAL A 37 6.300 0.837 -3.693 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.527 2.147 -3.681 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.280 0.209 -5.079 1.00 0.00 C ATOM 0 H VAL A 37 8.365 -0.938 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 37 8.125 1.987 -3.659 1.00 0.00 H new ATOM 0 HB VAL A 37 5.814 0.150 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.505 1.969 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.513 2.552 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.009 2.860 -4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.248 0.058 -5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.782 0.870 -5.785 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.795 -0.751 -5.051 1.00 0.00 H new ATOM 511 N GLN A 38 8.135 2.352 -1.208 1.00 0.00 N ATOM 512 CA GLN A 38 8.194 2.590 0.230 1.00 0.00 C ATOM 513 C GLN A 38 6.965 3.357 0.706 1.00 0.00 C ATOM 514 O GLN A 38 6.243 3.951 -0.095 1.00 0.00 O ATOM 515 CB GLN A 38 9.464 3.364 0.588 1.00 0.00 C ATOM 516 CG GLN A 38 10.738 2.549 0.433 1.00 0.00 C ATOM 517 CD GLN A 38 11.945 3.409 0.116 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.598 3.939 1.016 1.00 0.00 O ATOM 519 NE2 GLN A 38 12.250 3.552 -1.169 1.00 0.00 N ATOM 0 H GLN A 38 8.395 3.156 -1.780 1.00 0.00 H new ATOM 0 HA GLN A 38 8.213 1.623 0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.530 4.250 -0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.389 3.713 1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.924 1.993 1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.601 1.815 -0.361 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.682 3.095 -1.882 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.053 4.119 -1.443 1.00 0.00 H new ATOM 528 N PHE A 39 6.733 3.339 2.014 1.00 0.00 N ATOM 529 CA PHE A 39 5.589 4.032 2.597 1.00 0.00 C ATOM 530 C PHE A 39 5.871 4.422 4.045 1.00 0.00 C ATOM 531 O PHE A 39 6.208 3.577 4.874 1.00 0.00 O ATOM 532 CB PHE A 39 4.342 3.149 2.528 1.00 0.00 C ATOM 533 CG PHE A 39 3.930 2.801 1.126 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.486 1.709 0.478 1.00 0.00 C ATOM 535 CD2 PHE A 39 2.988 3.565 0.456 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.110 1.387 -0.813 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.608 3.247 -0.835 1.00 0.00 C ATOM 538 CZ PHE A 39 3.169 2.156 -1.469 1.00 0.00 C ATOM 0 H PHE A 39 7.321 2.853 2.691 1.00 0.00 H new ATOM 0 HA PHE A 39 5.414 4.941 2.022 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.527 2.229 3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.517 3.660 3.024 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.221 1.103 0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.545 4.419 0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.552 0.535 -1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.873 3.851 -1.347 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.872 1.904 -2.477 1.00 0.00 H new ATOM 548 N LYS A 40 5.729 5.709 4.342 1.00 0.00 N ATOM 549 CA LYS A 40 5.966 6.214 5.690 1.00 0.00 C ATOM 550 C LYS A 40 4.654 6.602 6.364 1.00 0.00 C ATOM 551 O LYS A 40 4.009 7.575 5.974 1.00 0.00 O ATOM 552 CB LYS A 40 6.906 7.422 5.646 1.00 0.00 C ATOM 553 CG LYS A 40 7.360 7.889 7.018 1.00 0.00 C ATOM 554 CD LYS A 40 7.818 9.337 6.990 1.00 0.00 C ATOM 555 CE LYS A 40 9.275 9.453 6.568 1.00 0.00 C ATOM 556 NZ LYS A 40 9.586 10.799 6.011 1.00 0.00 N ATOM 0 H LYS A 40 5.451 6.422 3.668 1.00 0.00 H new ATOM 0 HA LYS A 40 6.432 5.419 6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.782 7.168 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.403 8.245 5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.542 7.779 7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.175 7.255 7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.192 9.904 6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.688 9.780 7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.918 9.258 7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.499 8.691 5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.588 10.838 5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.990 10.976 5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.397 11.525 6.731 1.00 0.00 H new ATOM 570 N ILE A 41 4.267 5.836 7.379 1.00 0.00 N ATOM 571 CA ILE A 41 3.034 6.101 8.109 1.00 0.00 C ATOM 572 C ILE A 41 3.269 6.069 9.615 1.00 0.00 C ATOM 573 O ILE A 41 4.380 5.807 10.076 1.00 0.00 O ATOM 574 CB ILE A 41 1.936 5.083 7.749 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.126 3.792 8.549 1.00 0.00 C ATOM 576 CG2 ILE A 41 1.951 4.793 6.256 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.088 2.735 8.245 1.00 0.00 C ATOM 0 H ILE A 41 4.790 5.027 7.714 1.00 0.00 H new ATOM 0 HA ILE A 41 2.703 7.098 7.817 1.00 0.00 H new ATOM 0 HB ILE A 41 0.967 5.510 8.007 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.117 3.388 8.341 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.094 4.026 9.613 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.169 4.072 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.774 5.716 5.704 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.921 4.383 5.975 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.284 1.848 8.848 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.096 3.121 8.480 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.134 2.473 7.188 1.00 0.00 H new ATOM 589 N LYS A 42 2.214 6.333 10.378 1.00 0.00 N ATOM 590 CA LYS A 42 2.303 6.331 11.834 1.00 0.00 C ATOM 591 C LYS A 42 2.035 4.938 12.393 1.00 0.00 C ATOM 592 O LYS A 42 1.433 4.096 11.727 1.00 0.00 O ATOM 593 CB LYS A 42 1.307 7.331 12.427 1.00 0.00 C ATOM 594 CG LYS A 42 1.353 8.699 11.770 1.00 0.00 C ATOM 595 CD LYS A 42 0.655 9.749 12.617 1.00 0.00 C ATOM 596 CE LYS A 42 1.522 10.190 13.786 1.00 0.00 C ATOM 597 NZ LYS A 42 0.999 11.427 14.430 1.00 0.00 N ATOM 0 H LYS A 42 1.287 6.551 10.013 1.00 0.00 H new ATOM 0 HA LYS A 42 3.315 6.626 12.112 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.299 6.926 12.333 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.508 7.442 13.493 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.391 8.991 11.609 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.880 8.648 10.789 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.410 10.612 11.999 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.287 9.348 12.992 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.571 9.389 14.524 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.540 10.365 13.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.618 11.694 15.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.976 12.198 13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.037 11.253 14.786 1.00 0.00 H new ATOM 611 N ARG A 43 2.485 4.702 13.622 1.00 0.00 N ATOM 612 CA ARG A 43 2.293 3.410 14.270 1.00 0.00 C ATOM 613 C ARG A 43 0.815 3.156 14.550 1.00 0.00 C ATOM 614 O ARG A 43 0.350 2.017 14.501 1.00 0.00 O ATOM 615 CB ARG A 43 3.088 3.349 15.576 1.00 0.00 C ATOM 616 CG ARG A 43 2.718 4.441 16.566 1.00 0.00 C ATOM 617 CD ARG A 43 3.815 4.653 17.597 1.00 0.00 C ATOM 618 NE ARG A 43 3.373 5.502 18.700 1.00 0.00 N ATOM 619 CZ ARG A 43 2.551 5.092 19.659 1.00 0.00 C ATOM 620 NH1 ARG A 43 2.084 3.851 19.651 1.00 0.00 N ATOM 621 NH2 ARG A 43 2.194 5.923 20.630 1.00 0.00 N ATOM 0 H ARG A 43 2.984 5.388 14.188 1.00 0.00 H new ATOM 0 HA ARG A 43 2.655 2.635 13.594 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.928 2.377 16.043 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.151 3.422 15.348 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.536 5.373 16.030 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.789 4.176 17.071 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.136 3.688 17.989 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.682 5.106 17.116 1.00 0.00 H new ATOM 0 HE ARG A 43 3.714 6.463 18.736 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.356 3.209 18.907 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.453 3.539 20.389 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.551 6.878 20.641 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.563 5.606 21.366 1.00 0.00 H new ATOM 635 N HIS A 44 0.081 4.225 14.842 1.00 0.00 N ATOM 636 CA HIS A 44 -1.345 4.118 15.129 1.00 0.00 C ATOM 637 C HIS A 44 -2.168 4.237 13.850 1.00 0.00 C ATOM 638 O HIS A 44 -3.381 4.026 13.856 1.00 0.00 O ATOM 639 CB HIS A 44 -1.769 5.199 16.124 1.00 0.00 C ATOM 640 CG HIS A 44 -2.185 6.482 15.473 1.00 0.00 C ATOM 641 ND1 HIS A 44 -3.495 6.776 15.158 1.00 0.00 N ATOM 642 CD2 HIS A 44 -1.456 7.552 15.079 1.00 0.00 C ATOM 643 CE1 HIS A 44 -3.553 7.971 14.597 1.00 0.00 C ATOM 644 NE2 HIS A 44 -2.329 8.463 14.538 1.00 0.00 N ATOM 0 H HIS A 44 0.450 5.175 14.886 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.529 3.138 15.568 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.595 4.822 16.727 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.942 5.398 16.806 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.294 6.166 15.331 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.386 7.668 15.173 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.449 8.462 14.246 1.00 0.00 H new ATOM 653 N THR A 45 -1.499 4.577 12.752 1.00 0.00 N ATOM 654 CA THR A 45 -2.168 4.726 11.465 1.00 0.00 C ATOM 655 C THR A 45 -2.353 3.376 10.782 1.00 0.00 C ATOM 656 O THR A 45 -1.421 2.580 10.664 1.00 0.00 O ATOM 657 CB THR A 45 -1.379 5.659 10.527 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.625 7.026 10.876 1.00 0.00 O ATOM 659 CG2 THR A 45 -1.770 5.423 9.076 1.00 0.00 C ATOM 0 H THR A 45 -0.495 4.754 12.728 1.00 0.00 H new ATOM 0 HA THR A 45 -3.145 5.166 11.666 1.00 0.00 H new ATOM 0 HB THR A 45 -0.317 5.440 10.641 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.119 7.613 10.276 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.200 6.093 8.432 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.555 4.389 8.805 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.835 5.617 8.950 1.00 0.00 H new ATOM 667 N PRO A 46 -3.584 3.109 10.321 1.00 0.00 N ATOM 668 CA PRO A 46 -3.920 1.855 9.641 1.00 0.00 C ATOM 669 C PRO A 46 -3.275 1.752 8.263 1.00 0.00 C ATOM 670 O PRO A 46 -3.033 2.764 7.602 1.00 0.00 O ATOM 671 CB PRO A 46 -5.444 1.917 9.514 1.00 0.00 C ATOM 672 CG PRO A 46 -5.767 3.371 9.532 1.00 0.00 C ATOM 673 CD PRO A 46 -4.743 4.011 10.428 1.00 0.00 C ATOM 0 HA PRO A 46 -3.559 0.985 10.190 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.784 1.447 8.591 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.931 1.393 10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.725 3.793 8.528 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.776 3.542 9.908 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.498 5.021 10.100 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.099 4.087 11.455 1.00 0.00 H new ATOM 681 N LEU A 47 -2.999 0.526 7.834 1.00 0.00 N ATOM 682 CA LEU A 47 -2.382 0.291 6.533 1.00 0.00 C ATOM 683 C LEU A 47 -3.326 0.690 5.403 1.00 0.00 C ATOM 684 O LEU A 47 -2.900 0.882 4.264 1.00 0.00 O ATOM 685 CB LEU A 47 -1.990 -1.181 6.390 1.00 0.00 C ATOM 686 CG LEU A 47 -1.070 -1.738 7.476 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.851 -3.230 7.276 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.260 -0.998 7.480 1.00 0.00 C ATOM 0 H LEU A 47 -3.193 -0.321 8.368 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.485 0.907 6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.901 -1.779 6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.502 -1.314 5.425 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.549 -1.588 8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.194 -3.609 8.058 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.809 -3.748 7.324 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.393 -3.403 6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.902 -1.408 8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.745 -1.116 6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.087 0.061 7.672 1.00 0.00 H new ATOM 700 N SER A 48 -4.609 0.814 5.726 1.00 0.00 N ATOM 701 CA SER A 48 -5.614 1.188 4.738 1.00 0.00 C ATOM 702 C SER A 48 -5.071 2.250 3.787 1.00 0.00 C ATOM 703 O SER A 48 -5.089 2.076 2.568 1.00 0.00 O ATOM 704 CB SER A 48 -6.875 1.706 5.433 1.00 0.00 C ATOM 705 OG SER A 48 -7.942 1.850 4.512 1.00 0.00 O ATOM 0 H SER A 48 -4.977 0.661 6.665 1.00 0.00 H new ATOM 0 HA SER A 48 -5.866 0.300 4.158 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.166 1.017 6.226 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.666 2.666 5.905 1.00 0.00 H new ATOM 0 HG SER A 48 -8.737 2.181 4.981 1.00 0.00 H new ATOM 711 N LYS A 49 -4.589 3.351 4.353 1.00 0.00 N ATOM 712 CA LYS A 49 -4.039 4.443 3.558 1.00 0.00 C ATOM 713 C LYS A 49 -2.833 3.974 2.750 1.00 0.00 C ATOM 714 O LYS A 49 -2.689 4.316 1.575 1.00 0.00 O ATOM 715 CB LYS A 49 -3.637 5.609 4.464 1.00 0.00 C ATOM 716 CG LYS A 49 -4.812 6.266 5.166 1.00 0.00 C ATOM 717 CD LYS A 49 -4.362 7.425 6.039 1.00 0.00 C ATOM 718 CE LYS A 49 -5.399 7.760 7.101 1.00 0.00 C ATOM 719 NZ LYS A 49 -6.431 8.704 6.589 1.00 0.00 N ATOM 0 H LYS A 49 -4.568 3.511 5.360 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.810 4.779 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.932 5.250 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.115 6.358 3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.526 6.624 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.330 5.528 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.416 7.174 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.181 8.301 5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.881 6.843 7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.903 8.198 7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.119 8.908 7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.974 9.589 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.922 8.276 5.778 1.00 0.00 H new ATOM 733 N LEU A 50 -1.971 3.188 3.385 1.00 0.00 N ATOM 734 CA LEU A 50 -0.777 2.670 2.724 1.00 0.00 C ATOM 735 C LEU A 50 -1.148 1.873 1.477 1.00 0.00 C ATOM 736 O LEU A 50 -0.737 2.212 0.368 1.00 0.00 O ATOM 737 CB LEU A 50 0.021 1.790 3.687 1.00 0.00 C ATOM 738 CG LEU A 50 0.845 0.672 3.048 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.703 1.220 1.918 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.712 -0.016 4.093 1.00 0.00 C ATOM 0 H LEU A 50 -2.076 2.895 4.356 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.162 3.517 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.694 2.429 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.673 1.342 4.398 1.00 0.00 H new ATOM 0 HG LEU A 50 0.159 -0.066 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.282 0.410 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.062 1.665 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.381 1.978 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.291 -0.809 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.390 0.712 4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.077 -0.444 4.868 1.00 0.00 H new ATOM 752 N MET A 51 -1.928 0.815 1.668 1.00 0.00 N ATOM 753 CA MET A 51 -2.357 -0.028 0.558 1.00 0.00 C ATOM 754 C MET A 51 -2.901 0.819 -0.589 1.00 0.00 C ATOM 755 O MET A 51 -2.424 0.730 -1.720 1.00 0.00 O ATOM 756 CB MET A 51 -3.423 -1.020 1.025 1.00 0.00 C ATOM 757 CG MET A 51 -2.979 -1.883 2.195 1.00 0.00 C ATOM 758 SD MET A 51 -4.354 -2.386 3.248 1.00 0.00 S ATOM 759 CE MET A 51 -3.787 -3.993 3.800 1.00 0.00 C ATOM 0 H MET A 51 -2.276 0.521 2.580 1.00 0.00 H new ATOM 0 HA MET A 51 -1.490 -0.581 0.198 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.320 -0.470 1.310 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.697 -1.666 0.191 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.473 -2.771 1.815 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.252 -1.333 2.792 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.609 -4.707 3.746 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.971 -4.330 3.161 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.436 -3.921 4.829 1.00 0.00 H new ATOM 769 N LYS A 52 -3.902 1.639 -0.289 1.00 0.00 N ATOM 770 CA LYS A 52 -4.511 2.503 -1.294 1.00 0.00 C ATOM 771 C LYS A 52 -3.447 3.285 -2.056 1.00 0.00 C ATOM 772 O LYS A 52 -3.509 3.407 -3.279 1.00 0.00 O ATOM 773 CB LYS A 52 -5.497 3.470 -0.634 1.00 0.00 C ATOM 774 CG LYS A 52 -6.795 2.813 -0.198 1.00 0.00 C ATOM 775 CD LYS A 52 -7.933 3.817 -0.133 1.00 0.00 C ATOM 776 CE LYS A 52 -8.426 4.193 -1.522 1.00 0.00 C ATOM 777 NZ LYS A 52 -9.711 4.945 -1.470 1.00 0.00 N ATOM 0 H LYS A 52 -4.309 1.724 0.642 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.049 1.873 -2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.020 3.925 0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.724 4.276 -1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.052 2.015 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.660 2.351 0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.756 3.398 0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.599 4.713 0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.671 4.798 -2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.558 3.290 -2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.013 5.183 -2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.438 4.358 -1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.579 5.820 -0.923 1.00 0.00 H new ATOM 791 N ALA A 53 -2.470 3.813 -1.325 1.00 0.00 N ATOM 792 CA ALA A 53 -1.390 4.581 -1.933 1.00 0.00 C ATOM 793 C ALA A 53 -0.501 3.690 -2.794 1.00 0.00 C ATOM 794 O ALA A 53 0.200 4.171 -3.685 1.00 0.00 O ATOM 795 CB ALA A 53 -0.565 5.274 -0.859 1.00 0.00 C ATOM 0 H ALA A 53 -2.404 3.723 -0.311 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.834 5.339 -2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.238 5.844 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.203 5.949 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.137 4.527 -0.190 1.00 0.00 H new ATOM 801 N TYR A 54 -0.532 2.390 -2.521 1.00 0.00 N ATOM 802 CA TYR A 54 0.274 1.433 -3.269 1.00 0.00 C ATOM 803 C TYR A 54 -0.456 0.970 -4.526 1.00 0.00 C ATOM 804 O TYR A 54 0.163 0.724 -5.562 1.00 0.00 O ATOM 805 CB TYR A 54 0.615 0.227 -2.392 1.00 0.00 C ATOM 806 CG TYR A 54 1.315 -0.886 -3.138 1.00 0.00 C ATOM 807 CD1 TYR A 54 2.681 -0.831 -3.387 1.00 0.00 C ATOM 808 CD2 TYR A 54 0.610 -1.994 -3.594 1.00 0.00 C ATOM 809 CE1 TYR A 54 3.324 -1.845 -4.069 1.00 0.00 C ATOM 810 CE2 TYR A 54 1.246 -3.014 -4.275 1.00 0.00 C ATOM 811 CZ TYR A 54 2.602 -2.935 -4.511 1.00 0.00 C ATOM 812 OH TYR A 54 3.240 -3.948 -5.190 1.00 0.00 O ATOM 0 H TYR A 54 -1.107 1.975 -1.787 1.00 0.00 H new ATOM 0 HA TYR A 54 1.197 1.930 -3.569 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.249 0.555 -1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.303 -0.163 -1.952 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.250 0.020 -3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.453 -2.058 -3.413 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.386 -1.785 -4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.684 -3.869 -4.621 1.00 0.00 H new ATOM 0 HH TYR A 54 3.002 -4.810 -4.790 1.00 0.00 H new ATOM 822 N CYS A 55 -1.776 0.856 -4.428 1.00 0.00 N ATOM 823 CA CYS A 55 -2.592 0.423 -5.556 1.00 0.00 C ATOM 824 C CYS A 55 -2.765 1.552 -6.567 1.00 0.00 C ATOM 825 O CYS A 55 -2.882 1.310 -7.768 1.00 0.00 O ATOM 826 CB CYS A 55 -3.960 -0.056 -5.069 1.00 0.00 C ATOM 827 SG CYS A 55 -5.161 1.273 -4.818 1.00 0.00 S ATOM 0 H CYS A 55 -2.304 1.058 -3.579 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.079 -0.404 -6.047 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.364 -0.764 -5.792 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.831 -0.597 -4.131 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.598 2.251 -4.172 1.00 0.00 H new ATOM 833 N GLU A 56 -2.781 2.785 -6.071 1.00 0.00 N ATOM 834 CA GLU A 56 -2.943 3.951 -6.932 1.00 0.00 C ATOM 835 C GLU A 56 -1.630 4.300 -7.628 1.00 0.00 C ATOM 836 O GLU A 56 -1.609 4.601 -8.821 1.00 0.00 O ATOM 837 CB GLU A 56 -3.435 5.150 -6.117 1.00 0.00 C ATOM 838 CG GLU A 56 -2.313 5.981 -5.519 1.00 0.00 C ATOM 839 CD GLU A 56 -2.820 7.042 -4.562 1.00 0.00 C ATOM 840 OE1 GLU A 56 -3.464 6.677 -3.556 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.571 8.239 -4.819 1.00 0.00 O ATOM 0 H GLU A 56 -2.684 3.002 -5.079 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.685 3.709 -7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.046 5.787 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.079 4.793 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.620 5.324 -4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.752 6.459 -6.322 1.00 0.00 H new ATOM 848 N ARG A 57 -0.537 4.257 -6.872 1.00 0.00 N ATOM 849 CA ARG A 57 0.779 4.570 -7.415 1.00 0.00 C ATOM 850 C ARG A 57 0.993 3.876 -8.757 1.00 0.00 C ATOM 851 O ARG A 57 1.628 4.426 -9.656 1.00 0.00 O ATOM 852 CB ARG A 57 1.873 4.150 -6.431 1.00 0.00 C ATOM 853 CG ARG A 57 3.267 4.590 -6.846 1.00 0.00 C ATOM 854 CD ARG A 57 4.292 4.290 -5.763 1.00 0.00 C ATOM 855 NE ARG A 57 4.430 5.395 -4.819 1.00 0.00 N ATOM 856 CZ ARG A 57 5.153 6.482 -5.060 1.00 0.00 C ATOM 857 NH1 ARG A 57 5.801 6.609 -6.210 1.00 0.00 N ATOM 858 NH2 ARG A 57 5.230 7.445 -4.151 1.00 0.00 N ATOM 0 H ARG A 57 -0.537 4.009 -5.883 1.00 0.00 H new ATOM 0 HA ARG A 57 0.833 5.648 -7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.647 4.567 -5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.860 3.065 -6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.551 4.082 -7.768 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.264 5.659 -7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.998 3.389 -5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.258 4.085 -6.225 1.00 0.00 H new ATOM 0 HE ARG A 57 3.944 5.328 -3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.744 5.871 -6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.356 7.445 -6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.733 7.351 -3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.786 8.279 -4.338 1.00 0.00 H new ATOM 872 N GLN A 58 0.459 2.666 -8.883 1.00 0.00 N ATOM 873 CA GLN A 58 0.593 1.896 -10.114 1.00 0.00 C ATOM 874 C GLN A 58 -0.694 1.947 -10.931 1.00 0.00 C ATOM 875 O GLN A 58 -0.681 2.303 -12.108 1.00 0.00 O ATOM 876 CB GLN A 58 0.952 0.444 -9.797 1.00 0.00 C ATOM 877 CG GLN A 58 2.141 0.302 -8.860 1.00 0.00 C ATOM 878 CD GLN A 58 3.322 1.155 -9.282 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.705 1.169 -10.452 1.00 0.00 O ATOM 880 NE2 GLN A 58 3.904 1.873 -8.329 1.00 0.00 N ATOM 0 H GLN A 58 -0.071 2.197 -8.148 1.00 0.00 H new ATOM 0 HA GLN A 58 1.395 2.340 -10.704 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.087 -0.046 -9.350 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.169 -0.079 -10.728 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.839 0.581 -7.851 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.447 -0.743 -8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.553 1.831 -7.372 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.702 2.467 -8.554 1.00 0.00 H new ATOM 889 N GLY A 59 -1.806 1.588 -10.296 1.00 0.00 N ATOM 890 CA GLY A 59 -3.087 1.600 -10.980 1.00 0.00 C ATOM 891 C GLY A 59 -3.804 0.268 -10.888 1.00 0.00 C ATOM 892 O GLY A 59 -4.576 -0.093 -11.778 1.00 0.00 O ATOM 0 H GLY A 59 -1.843 1.289 -9.321 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.717 2.379 -10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.933 1.855 -12.029 1.00 0.00 H new ATOM 896 N LEU A 60 -3.550 -0.467 -9.811 1.00 0.00 N ATOM 897 CA LEU A 60 -4.177 -1.768 -9.606 1.00 0.00 C ATOM 898 C LEU A 60 -5.331 -1.667 -8.614 1.00 0.00 C ATOM 899 O LEU A 60 -5.555 -0.617 -8.013 1.00 0.00 O ATOM 900 CB LEU A 60 -3.145 -2.780 -9.105 1.00 0.00 C ATOM 901 CG LEU A 60 -1.754 -2.689 -9.734 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.691 -3.149 -8.749 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.693 -3.513 -11.012 1.00 0.00 C ATOM 0 H LEU A 60 -2.914 -0.184 -9.066 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.574 -2.107 -10.563 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.042 -2.660 -8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.535 -3.783 -9.279 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.558 -1.647 -9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.292 -3.077 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.719 -2.517 -7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.883 -4.183 -8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.696 -3.437 -11.447 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.911 -4.556 -10.783 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.428 -3.137 -11.723 1.00 0.00 H new ATOM 915 N SER A 61 -6.059 -2.767 -8.447 1.00 0.00 N ATOM 916 CA SER A 61 -7.191 -2.801 -7.529 1.00 0.00 C ATOM 917 C SER A 61 -6.796 -3.446 -6.204 1.00 0.00 C ATOM 918 O SER A 61 -6.070 -4.439 -6.177 1.00 0.00 O ATOM 919 CB SER A 61 -8.358 -3.568 -8.154 1.00 0.00 C ATOM 920 OG SER A 61 -9.147 -2.719 -8.970 1.00 0.00 O ATOM 0 H SER A 61 -5.885 -3.646 -8.935 1.00 0.00 H new ATOM 0 HA SER A 61 -7.502 -1.774 -7.336 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.975 -4.397 -8.749 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.977 -3.999 -7.367 1.00 0.00 H new ATOM 0 HG SER A 61 -9.281 -3.139 -9.845 1.00 0.00 H new ATOM 926 N MET A 62 -7.281 -2.874 -5.107 1.00 0.00 N ATOM 927 CA MET A 62 -6.980 -3.393 -3.778 1.00 0.00 C ATOM 928 C MET A 62 -7.114 -4.912 -3.744 1.00 0.00 C ATOM 929 O MET A 62 -6.193 -5.616 -3.329 1.00 0.00 O ATOM 930 CB MET A 62 -7.910 -2.764 -2.739 1.00 0.00 C ATOM 931 CG MET A 62 -7.313 -2.709 -1.342 1.00 0.00 C ATOM 932 SD MET A 62 -7.998 -1.372 -0.345 1.00 0.00 S ATOM 933 CE MET A 62 -6.520 -0.754 0.455 1.00 0.00 C ATOM 0 H MET A 62 -7.884 -2.051 -5.112 1.00 0.00 H new ATOM 0 HA MET A 62 -5.949 -3.132 -3.538 1.00 0.00 H new ATOM 0 HB2 MET A 62 -8.165 -1.753 -3.056 1.00 0.00 H new ATOM 0 HB3 MET A 62 -8.840 -3.331 -2.706 1.00 0.00 H new ATOM 0 HG2 MET A 62 -7.489 -3.659 -0.838 1.00 0.00 H new ATOM 0 HG3 MET A 62 -6.233 -2.584 -1.418 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.783 0.068 1.121 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.057 -1.555 1.032 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.819 -0.398 -0.300 1.00 0.00 H new ATOM 943 N ARG A 63 -8.265 -5.410 -4.184 1.00 0.00 N ATOM 944 CA ARG A 63 -8.519 -6.845 -4.202 1.00 0.00 C ATOM 945 C ARG A 63 -7.505 -7.565 -5.087 1.00 0.00 C ATOM 946 O ARG A 63 -6.884 -8.541 -4.667 1.00 0.00 O ATOM 947 CB ARG A 63 -9.937 -7.127 -4.700 1.00 0.00 C ATOM 948 CG ARG A 63 -10.185 -6.667 -6.127 1.00 0.00 C ATOM 949 CD ARG A 63 -11.667 -6.672 -6.465 1.00 0.00 C ATOM 950 NE ARG A 63 -11.900 -6.722 -7.906 1.00 0.00 N ATOM 951 CZ ARG A 63 -11.656 -5.705 -8.725 1.00 0.00 C ATOM 952 NH1 ARG A 63 -11.174 -4.566 -8.248 1.00 0.00 N ATOM 953 NH2 ARG A 63 -11.894 -5.827 -10.025 1.00 0.00 N ATOM 0 H ARG A 63 -9.036 -4.841 -4.533 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.418 -7.220 -3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.130 -8.198 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.650 -6.633 -4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.784 -5.663 -6.261 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.651 -7.319 -6.818 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.144 -7.530 -5.991 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.136 -5.778 -6.053 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.270 -7.585 -8.305 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.989 -4.469 -7.250 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.988 -3.787 -8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.265 -6.702 -10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.706 -5.046 -10.653 1.00 0.00 H new ATOM 967 N GLN A 64 -7.344 -7.077 -6.313 1.00 0.00 N ATOM 968 CA GLN A 64 -6.407 -7.675 -7.256 1.00 0.00 C ATOM 969 C GLN A 64 -5.085 -8.006 -6.573 1.00 0.00 C ATOM 970 O GLN A 64 -4.523 -9.083 -6.777 1.00 0.00 O ATOM 971 CB GLN A 64 -6.164 -6.729 -8.434 1.00 0.00 C ATOM 972 CG GLN A 64 -5.613 -7.425 -9.668 1.00 0.00 C ATOM 973 CD GLN A 64 -5.265 -6.453 -10.779 1.00 0.00 C ATOM 974 OE1 GLN A 64 -5.966 -5.465 -10.997 1.00 0.00 O ATOM 975 NE2 GLN A 64 -4.177 -6.730 -11.489 1.00 0.00 N ATOM 0 H GLN A 64 -7.850 -6.269 -6.676 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.845 -8.602 -7.627 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -7.101 -6.236 -8.693 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.468 -5.949 -8.126 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.723 -7.992 -9.394 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.347 -8.142 -10.034 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.625 -7.560 -11.274 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.893 -6.112 -12.250 1.00 0.00 H new ATOM 984 N ILE A 65 -4.593 -7.075 -5.763 1.00 0.00 N ATOM 985 CA ILE A 65 -3.336 -7.270 -5.050 1.00 0.00 C ATOM 986 C ILE A 65 -3.584 -7.689 -3.605 1.00 0.00 C ATOM 987 O ILE A 65 -4.708 -7.613 -3.110 1.00 0.00 O ATOM 988 CB ILE A 65 -2.478 -5.992 -5.063 1.00 0.00 C ATOM 989 CG1 ILE A 65 -3.250 -4.827 -4.440 1.00 0.00 C ATOM 990 CG2 ILE A 65 -2.053 -5.653 -6.484 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.361 -3.695 -3.971 1.00 0.00 C ATOM 0 H ILE A 65 -5.045 -6.178 -5.584 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.798 -8.064 -5.568 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.581 -6.168 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.961 -4.441 -5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.830 -5.197 -3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.447 -4.747 -6.476 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.469 -6.476 -6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.938 -5.492 -7.100 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.975 -2.904 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.667 -4.066 -3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.800 -3.299 -4.817 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.525 -8.128 -2.933 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.627 -8.558 -1.543 1.00 0.00 C ATOM 1005 C ARG A 66 -1.347 -8.234 -0.779 1.00 0.00 C ATOM 1006 O ARG A 66 -0.242 -8.409 -1.294 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.910 -10.060 -1.471 1.00 0.00 C ATOM 1008 CG ARG A 66 -4.343 -10.427 -1.820 1.00 0.00 C ATOM 1009 CD ARG A 66 -5.311 -9.990 -0.732 1.00 0.00 C ATOM 1010 NE ARG A 66 -6.636 -10.578 -0.909 1.00 0.00 N ATOM 1011 CZ ARG A 66 -6.934 -11.830 -0.580 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -6.007 -12.621 -0.059 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -8.163 -12.292 -0.771 1.00 0.00 N ATOM 0 H ARG A 66 -1.587 -8.195 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.453 -8.017 -1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.235 -10.581 -2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.688 -10.415 -0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.620 -9.959 -2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.419 -11.505 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.915 -10.276 0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.393 -8.903 -0.735 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.373 -9.996 -1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.061 -12.269 0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.239 -13.582 0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.879 -11.686 -1.171 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.391 -13.253 -0.518 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.504 -7.760 0.453 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.361 -7.410 1.289 1.00 0.00 C ATOM 1029 C PHE A 67 -0.075 -8.509 2.308 1.00 0.00 C ATOM 1030 O PHE A 67 -0.937 -9.337 2.601 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.616 -6.084 2.008 1.00 0.00 C ATOM 1032 CG PHE A 67 -0.744 -4.912 1.078 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -1.952 -4.628 0.462 1.00 0.00 C ATOM 1034 CD2 PHE A 67 0.344 -4.094 0.819 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.073 -3.551 -0.395 1.00 0.00 C ATOM 1036 CE2 PHE A 67 0.229 -3.014 -0.037 1.00 0.00 C ATOM 1037 CZ PHE A 67 -0.981 -2.742 -0.644 1.00 0.00 C ATOM 0 H PHE A 67 -2.411 -7.610 0.894 1.00 0.00 H new ATOM 0 HA PHE A 67 0.511 -7.303 0.644 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.528 -6.170 2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 67 0.200 -5.896 2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.809 -5.256 0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.293 -4.302 1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.020 -3.342 -0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.085 -2.384 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.074 -1.899 -1.312 1.00 0.00 H new ATOM 1047 N ARG A 68 1.140 -8.508 2.845 1.00 0.00 N ATOM 1048 CA ARG A 68 1.541 -9.505 3.831 1.00 0.00 C ATOM 1049 C ARG A 68 2.794 -9.058 4.578 1.00 0.00 C ATOM 1050 O ARG A 68 3.712 -8.490 3.987 1.00 0.00 O ATOM 1051 CB ARG A 68 1.792 -10.853 3.151 1.00 0.00 C ATOM 1052 CG ARG A 68 0.521 -11.558 2.708 1.00 0.00 C ATOM 1053 CD ARG A 68 0.688 -13.070 2.726 1.00 0.00 C ATOM 1054 NE ARG A 68 -0.591 -13.763 2.594 1.00 0.00 N ATOM 1055 CZ ARG A 68 -0.705 -15.024 2.194 1.00 0.00 C ATOM 1056 NH1 ARG A 68 0.377 -15.727 1.890 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -1.904 -15.586 2.099 1.00 0.00 N ATOM 0 H ARG A 68 1.864 -7.828 2.614 1.00 0.00 H new ATOM 0 HA ARG A 68 0.730 -9.614 4.551 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.433 -10.699 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.336 -11.501 3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.302 -11.274 3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.254 -11.232 1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.349 -13.371 1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.169 -13.371 3.657 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.443 -13.250 2.821 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.300 -15.299 1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.286 -16.695 1.583 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.739 -15.049 2.333 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.990 -16.555 1.792 1.00 0.00 H new ATOM 1071 N PHE A 69 2.824 -9.318 5.881 1.00 0.00 N ATOM 1072 CA PHE A 69 3.964 -8.942 6.709 1.00 0.00 C ATOM 1073 C PHE A 69 4.520 -10.153 7.452 1.00 0.00 C ATOM 1074 O PHE A 69 3.909 -10.649 8.399 1.00 0.00 O ATOM 1075 CB PHE A 69 3.557 -7.858 7.710 1.00 0.00 C ATOM 1076 CG PHE A 69 4.705 -7.335 8.525 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.860 -6.882 7.909 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.629 -7.295 9.908 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.918 -6.399 8.656 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.683 -6.813 10.661 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.830 -6.366 10.034 1.00 0.00 C ATOM 0 H PHE A 69 2.072 -9.787 6.386 1.00 0.00 H new ATOM 0 HA PHE A 69 4.743 -8.550 6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.098 -7.030 7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.799 -8.261 8.381 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.935 -6.906 6.832 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.735 -7.645 10.404 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.812 -6.048 8.163 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.610 -6.786 11.738 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.656 -5.992 10.620 1.00 0.00 H new ATOM 1091 N ASP A 70 5.682 -10.625 7.015 1.00 0.00 N ATOM 1092 CA ASP A 70 6.322 -11.778 7.638 1.00 0.00 C ATOM 1093 C ASP A 70 5.605 -13.069 7.256 1.00 0.00 C ATOM 1094 O ASP A 70 5.641 -14.052 7.995 1.00 0.00 O ATOM 1095 CB ASP A 70 6.339 -11.619 9.159 1.00 0.00 C ATOM 1096 CG ASP A 70 7.363 -12.517 9.823 1.00 0.00 C ATOM 1097 OD1 ASP A 70 8.447 -12.718 9.236 1.00 0.00 O ATOM 1098 OD2 ASP A 70 7.082 -13.019 10.931 1.00 0.00 O ATOM 0 H ASP A 70 6.200 -10.227 6.232 1.00 0.00 H new ATOM 0 HA ASP A 70 7.349 -11.833 7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.553 -10.580 9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.350 -11.845 9.556 1.00 0.00 H new ATOM 1103 N GLY A 71 4.954 -13.059 6.097 1.00 0.00 N ATOM 1104 CA GLY A 71 4.236 -14.234 5.639 1.00 0.00 C ATOM 1105 C GLY A 71 2.875 -14.373 6.291 1.00 0.00 C ATOM 1106 O GLY A 71 2.391 -15.486 6.499 1.00 0.00 O ATOM 0 H GLY A 71 4.911 -12.258 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.113 -14.182 4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.829 -15.124 5.850 1.00 0.00 H new ATOM 1110 N GLN A 72 2.257 -13.242 6.615 1.00 0.00 N ATOM 1111 CA GLN A 72 0.945 -13.244 7.250 1.00 0.00 C ATOM 1112 C GLN A 72 0.017 -12.232 6.585 1.00 0.00 C ATOM 1113 O GLN A 72 0.431 -11.143 6.187 1.00 0.00 O ATOM 1114 CB GLN A 72 1.075 -12.932 8.741 1.00 0.00 C ATOM 1115 CG GLN A 72 1.024 -11.446 9.059 1.00 0.00 C ATOM 1116 CD GLN A 72 1.613 -11.119 10.417 1.00 0.00 C ATOM 1117 OE1 GLN A 72 2.827 -11.182 10.611 1.00 0.00 O ATOM 1118 NE2 GLN A 72 0.753 -10.766 11.365 1.00 0.00 N ATOM 0 H GLN A 72 2.644 -12.313 6.448 1.00 0.00 H new ATOM 0 HA GLN A 72 0.514 -14.238 7.131 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.275 -13.438 9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.016 -13.342 9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.566 -10.895 8.290 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.011 -11.106 9.025 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.245 -10.727 11.159 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.091 -10.533 12.299 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.267 -12.597 6.462 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.280 -11.734 5.846 1.00 0.00 C ATOM 1129 C PRO A 73 -2.607 -10.519 6.707 1.00 0.00 C ATOM 1130 O PRO A 73 -2.991 -10.655 7.869 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.501 -12.650 5.728 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.315 -13.670 6.797 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.830 -13.880 6.914 1.00 0.00 C ATOM 0 HA PRO A 73 -1.943 -11.325 4.894 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.428 -12.094 5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.554 -13.114 4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.736 -13.327 7.742 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.822 -14.600 6.541 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.536 -14.109 7.938 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.491 -14.709 6.292 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.452 -9.332 6.130 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.732 -8.093 6.844 1.00 0.00 C ATOM 1143 C ILE A 74 -3.910 -7.352 6.220 1.00 0.00 C ATOM 1144 O ILE A 74 -4.013 -7.248 4.998 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.505 -7.162 6.861 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.762 -7.240 5.526 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.579 -7.527 8.011 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.534 -6.459 5.509 1.00 0.00 C ATOM 0 H ILE A 74 -2.134 -9.203 5.170 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.982 -8.370 7.868 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.846 -6.137 7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.550 -8.285 5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.412 -6.866 4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.283 -6.860 8.010 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.114 -7.426 8.955 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.241 -8.557 7.894 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.007 -6.559 4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.327 -5.407 5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.203 -6.847 6.277 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.796 -6.838 7.067 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.966 -6.106 6.598 1.00 0.00 C ATOM 1162 C ASN A 75 -5.766 -4.602 6.758 1.00 0.00 C ATOM 1163 O ASN A 75 -4.995 -4.155 7.606 1.00 0.00 O ATOM 1164 CB ASN A 75 -7.213 -6.550 7.365 1.00 0.00 C ATOM 1165 CG ASN A 75 -7.388 -8.057 7.361 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -7.569 -8.668 6.308 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -7.336 -8.662 8.542 1.00 0.00 N ATOM 0 H ASN A 75 -4.726 -6.915 8.082 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.101 -6.327 5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.148 -6.197 8.394 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.093 -6.083 6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.448 -9.674 8.602 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.184 -8.115 9.389 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.468 -3.826 5.937 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.367 -2.373 5.988 1.00 0.00 C ATOM 1176 C GLU A 76 -6.718 -1.851 7.378 1.00 0.00 C ATOM 1177 O GLU A 76 -6.042 -0.973 7.914 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.290 -1.738 4.945 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.710 -2.277 4.981 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.649 -1.506 4.074 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.314 -1.328 2.885 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -10.721 -1.081 4.554 1.00 0.00 O ATOM 0 H GLU A 76 -7.112 -4.180 5.230 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.336 -2.099 5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.315 -0.660 5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.872 -1.905 3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.704 -3.326 4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.084 -2.237 6.004 1.00 0.00 H new ATOM 1189 N THR A 77 -7.783 -2.398 7.957 1.00 0.00 N ATOM 1190 CA THR A 77 -8.226 -1.988 9.284 1.00 0.00 C ATOM 1191 C THR A 77 -7.113 -2.154 10.311 1.00 0.00 C ATOM 1192 O THR A 77 -6.984 -1.352 11.237 1.00 0.00 O ATOM 1193 CB THR A 77 -9.455 -2.796 9.740 1.00 0.00 C ATOM 1194 OG1 THR A 77 -9.133 -4.191 9.790 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.629 -2.575 8.798 1.00 0.00 C ATOM 0 H THR A 77 -8.354 -3.126 7.528 1.00 0.00 H new ATOM 0 HA THR A 77 -8.498 -0.935 9.215 1.00 0.00 H new ATOM 0 HB THR A 77 -9.739 -2.453 10.735 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.919 -4.698 10.082 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.485 -3.156 9.141 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.891 -1.517 8.785 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.354 -2.893 7.793 1.00 0.00 H new ATOM 1203 N ASP A 78 -6.309 -3.198 10.143 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.204 -3.468 11.055 1.00 0.00 C ATOM 1205 C ASP A 78 -4.192 -2.327 11.036 1.00 0.00 C ATOM 1206 O ASP A 78 -4.136 -1.548 10.083 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.517 -4.783 10.683 1.00 0.00 C ATOM 1208 CG ASP A 78 -5.343 -5.996 11.065 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -6.429 -6.183 10.477 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.902 -6.758 11.950 1.00 0.00 O ATOM 0 H ASP A 78 -6.402 -3.872 9.383 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.610 -3.552 12.063 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.327 -4.800 9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.548 -4.836 11.179 1.00 0.00 H new ATOM 1215 N THR A 79 -3.393 -2.233 12.094 1.00 0.00 N ATOM 1216 CA THR A 79 -2.385 -1.186 12.200 1.00 0.00 C ATOM 1217 C THR A 79 -0.980 -1.778 12.241 1.00 0.00 C ATOM 1218 O THR A 79 -0.785 -2.954 12.548 1.00 0.00 O ATOM 1219 CB THR A 79 -2.602 -0.321 13.456 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.162 -1.116 14.507 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.523 0.850 13.154 1.00 0.00 C ATOM 0 H THR A 79 -3.425 -2.870 12.890 1.00 0.00 H new ATOM 0 HA THR A 79 -2.487 -0.559 11.314 1.00 0.00 H new ATOM 0 HB THR A 79 -1.635 0.070 13.772 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.295 -0.559 15.303 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.661 1.446 14.056 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.080 1.469 12.374 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.489 0.475 12.815 1.00 0.00 H new ATOM 1229 N PRO A 80 0.023 -0.946 11.926 1.00 0.00 N ATOM 1230 CA PRO A 80 1.428 -1.365 11.920 1.00 0.00 C ATOM 1231 C PRO A 80 1.959 -1.630 13.325 1.00 0.00 C ATOM 1232 O PRO A 80 3.014 -2.240 13.495 1.00 0.00 O ATOM 1233 CB PRO A 80 2.152 -0.172 11.291 1.00 0.00 C ATOM 1234 CG PRO A 80 1.271 0.997 11.572 1.00 0.00 C ATOM 1235 CD PRO A 80 -0.137 0.469 11.550 1.00 0.00 C ATOM 0 HA PRO A 80 1.572 -2.301 11.380 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.142 -0.035 11.726 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.292 -0.314 10.219 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.507 1.440 12.540 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.407 1.777 10.823 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.777 1.002 12.253 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.590 0.574 10.564 1.00 0.00 H new ATOM 1243 N ALA A 81 1.220 -1.167 14.329 1.00 0.00 N ATOM 1244 CA ALA A 81 1.616 -1.357 15.719 1.00 0.00 C ATOM 1245 C ALA A 81 1.161 -2.716 16.239 1.00 0.00 C ATOM 1246 O ALA A 81 1.769 -3.277 17.150 1.00 0.00 O ATOM 1247 CB ALA A 81 1.050 -0.241 16.585 1.00 0.00 C ATOM 0 H ALA A 81 0.345 -0.658 14.205 1.00 0.00 H new ATOM 0 HA ALA A 81 2.704 -1.325 15.769 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.353 -0.395 17.621 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.429 0.719 16.235 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.038 -0.247 16.521 1.00 0.00 H new ATOM 1253 N GLN A 82 0.088 -3.239 15.655 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.449 -4.532 16.061 1.00 0.00 C ATOM 1255 C GLN A 82 0.444 -5.669 15.577 1.00 0.00 C ATOM 1256 O GLN A 82 0.512 -6.729 16.201 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.867 -4.714 15.516 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.669 -5.778 16.248 1.00 0.00 C ATOM 1259 CD GLN A 82 -3.208 -5.290 17.578 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -2.694 -4.330 18.155 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -4.249 -5.948 18.073 1.00 0.00 N ATOM 0 H GLN A 82 -0.427 -2.787 14.899 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.480 -4.557 17.150 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.397 -3.763 15.580 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.810 -4.976 14.460 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.500 -6.098 15.619 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.039 -6.652 16.414 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.643 -6.738 17.562 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.655 -5.664 18.965 1.00 0.00 H new ATOM 1270 N LEU A 83 1.129 -5.442 14.461 1.00 0.00 N ATOM 1271 CA LEU A 83 2.019 -6.448 13.892 1.00 0.00 C ATOM 1272 C LEU A 83 3.418 -6.339 14.491 1.00 0.00 C ATOM 1273 O LEU A 83 4.331 -7.060 14.093 1.00 0.00 O ATOM 1274 CB LEU A 83 2.090 -6.294 12.372 1.00 0.00 C ATOM 1275 CG LEU A 83 0.750 -6.148 11.650 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.929 -5.393 10.341 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.127 -7.513 11.399 1.00 0.00 C ATOM 0 H LEU A 83 1.085 -4.571 13.933 1.00 0.00 H new ATOM 0 HA LEU A 83 1.616 -7.432 14.133 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.701 -5.420 12.143 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.608 -7.161 11.963 1.00 0.00 H new ATOM 0 HG LEU A 83 0.076 -5.576 12.288 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.035 -5.299 9.841 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.331 -4.401 10.545 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.620 -5.938 9.698 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.826 -7.389 10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.798 -8.111 10.782 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.038 -8.018 12.351 1.00 0.00 H new ATOM 1289 N GLU A 84 3.576 -5.433 15.452 1.00 0.00 N ATOM 1290 CA GLU A 84 4.863 -5.231 16.106 1.00 0.00 C ATOM 1291 C GLU A 84 5.912 -4.751 15.107 1.00 0.00 C ATOM 1292 O GLU A 84 7.028 -5.267 15.066 1.00 0.00 O ATOM 1293 CB GLU A 84 5.332 -6.528 16.770 1.00 0.00 C ATOM 1294 CG GLU A 84 4.459 -6.965 17.935 1.00 0.00 C ATOM 1295 CD GLU A 84 4.900 -8.289 18.529 1.00 0.00 C ATOM 1296 OE1 GLU A 84 4.752 -9.324 17.845 1.00 0.00 O ATOM 1297 OE2 GLU A 84 5.392 -8.291 19.676 1.00 0.00 O ATOM 0 H GLU A 84 2.829 -4.828 15.794 1.00 0.00 H new ATOM 0 HA GLU A 84 4.736 -4.464 16.870 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.352 -7.322 16.024 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.355 -6.397 17.123 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.482 -6.198 18.709 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.425 -7.048 17.599 1.00 0.00 H new ATOM 1304 N MET A 85 5.544 -3.758 14.303 1.00 0.00 N ATOM 1305 CA MET A 85 6.452 -3.207 13.305 1.00 0.00 C ATOM 1306 C MET A 85 7.444 -2.242 13.946 1.00 0.00 C ATOM 1307 O MET A 85 7.054 -1.342 14.690 1.00 0.00 O ATOM 1308 CB MET A 85 5.664 -2.492 12.206 1.00 0.00 C ATOM 1309 CG MET A 85 4.842 -3.431 11.338 1.00 0.00 C ATOM 1310 SD MET A 85 4.545 -2.769 9.687 1.00 0.00 S ATOM 1311 CE MET A 85 4.494 -4.277 8.722 1.00 0.00 C ATOM 0 H MET A 85 4.623 -3.319 14.324 1.00 0.00 H new ATOM 0 HA MET A 85 7.010 -4.033 12.863 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.000 -1.760 12.665 1.00 0.00 H new ATOM 0 HB3 MET A 85 6.359 -1.940 11.573 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.358 -4.387 11.254 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.886 -3.626 11.824 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.847 -4.134 7.857 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.500 -4.527 8.385 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.105 -5.089 9.336 1.00 0.00 H new ATOM 1321 N GLU A 86 8.726 -2.435 13.653 1.00 0.00 N ATOM 1322 CA GLU A 86 9.772 -1.581 14.203 1.00 0.00 C ATOM 1323 C GLU A 86 10.121 -0.455 13.234 1.00 0.00 C ATOM 1324 O GLU A 86 9.801 0.709 13.477 1.00 0.00 O ATOM 1325 CB GLU A 86 11.023 -2.406 14.515 1.00 0.00 C ATOM 1326 CG GLU A 86 10.832 -3.392 15.655 1.00 0.00 C ATOM 1327 CD GLU A 86 12.129 -3.712 16.373 1.00 0.00 C ATOM 1328 OE1 GLU A 86 12.863 -4.606 15.904 1.00 0.00 O ATOM 1329 OE2 GLU A 86 12.410 -3.067 17.405 1.00 0.00 O ATOM 0 H GLU A 86 9.065 -3.175 13.038 1.00 0.00 H new ATOM 0 HA GLU A 86 9.397 -1.139 15.126 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.321 -2.952 13.620 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.841 -1.730 14.763 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.117 -2.982 16.369 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.400 -4.314 15.265 1.00 0.00 H new ATOM 1336 N ASP A 87 10.779 -0.810 12.136 1.00 0.00 N ATOM 1337 CA ASP A 87 11.172 0.169 11.129 1.00 0.00 C ATOM 1338 C ASP A 87 11.816 -0.515 9.928 1.00 0.00 C ATOM 1339 O ASP A 87 12.236 -1.669 10.011 1.00 0.00 O ATOM 1340 CB ASP A 87 12.139 1.190 11.730 1.00 0.00 C ATOM 1341 CG ASP A 87 11.422 2.382 12.332 1.00 0.00 C ATOM 1342 OD1 ASP A 87 10.706 3.082 11.586 1.00 0.00 O ATOM 1343 OD2 ASP A 87 11.578 2.617 13.549 1.00 0.00 O ATOM 0 H ASP A 87 11.052 -1.769 11.920 1.00 0.00 H new ATOM 0 HA ASP A 87 10.274 0.686 10.791 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.742 0.706 12.499 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.825 1.535 10.957 1.00 0.00 H new ATOM 1348 N GLU A 88 11.889 0.204 8.812 1.00 0.00 N ATOM 1349 CA GLU A 88 12.481 -0.336 7.594 1.00 0.00 C ATOM 1350 C GLU A 88 12.020 -1.770 7.354 1.00 0.00 C ATOM 1351 O GLU A 88 12.741 -2.575 6.764 1.00 0.00 O ATOM 1352 CB GLU A 88 14.008 -0.286 7.676 1.00 0.00 C ATOM 1353 CG GLU A 88 14.570 1.125 7.722 1.00 0.00 C ATOM 1354 CD GLU A 88 16.085 1.150 7.749 1.00 0.00 C ATOM 1355 OE1 GLU A 88 16.670 0.576 8.692 1.00 0.00 O ATOM 1356 OE2 GLU A 88 16.687 1.742 6.829 1.00 0.00 O ATOM 0 H GLU A 88 11.546 1.161 8.726 1.00 0.00 H new ATOM 0 HA GLU A 88 12.150 0.278 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.333 -0.827 8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.427 -0.807 6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.217 1.681 6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.186 1.636 8.605 1.00 0.00 H new ATOM 1363 N ASP A 89 10.815 -2.083 7.817 1.00 0.00 N ATOM 1364 CA ASP A 89 10.256 -3.420 7.653 1.00 0.00 C ATOM 1365 C ASP A 89 9.794 -3.644 6.217 1.00 0.00 C ATOM 1366 O ASP A 89 8.995 -2.875 5.683 1.00 0.00 O ATOM 1367 CB ASP A 89 9.087 -3.629 8.617 1.00 0.00 C ATOM 1368 CG ASP A 89 9.215 -2.790 9.873 1.00 0.00 C ATOM 1369 OD1 ASP A 89 9.089 -1.551 9.774 1.00 0.00 O ATOM 1370 OD2 ASP A 89 9.439 -3.372 10.954 1.00 0.00 O ATOM 0 H ASP A 89 10.206 -1.429 8.309 1.00 0.00 H new ATOM 0 HA ASP A 89 11.038 -4.144 7.881 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.154 -3.381 8.111 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.030 -4.682 8.891 1.00 0.00 H new ATOM 1375 N THR A 90 10.304 -4.703 5.595 1.00 0.00 N ATOM 1376 CA THR A 90 9.946 -5.027 4.220 1.00 0.00 C ATOM 1377 C THR A 90 8.578 -5.697 4.151 1.00 0.00 C ATOM 1378 O THR A 90 8.300 -6.638 4.895 1.00 0.00 O ATOM 1379 CB THR A 90 10.992 -5.953 3.570 1.00 0.00 C ATOM 1380 OG1 THR A 90 12.290 -5.355 3.647 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.641 -6.230 2.116 1.00 0.00 C ATOM 0 H THR A 90 10.966 -5.351 6.022 1.00 0.00 H new ATOM 0 HA THR A 90 9.915 -4.085 3.672 1.00 0.00 H new ATOM 0 HB THR A 90 10.995 -6.898 4.113 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.949 -5.950 3.233 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.394 -6.886 1.679 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.665 -6.712 2.063 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.613 -5.291 1.563 1.00 0.00 H new ATOM 1389 N ILE A 91 7.729 -5.207 3.254 1.00 0.00 N ATOM 1390 CA ILE A 91 6.391 -5.761 3.088 1.00 0.00 C ATOM 1391 C ILE A 91 6.342 -6.739 1.919 1.00 0.00 C ATOM 1392 O ILE A 91 7.108 -6.618 0.963 1.00 0.00 O ATOM 1393 CB ILE A 91 5.348 -4.651 2.859 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.590 -3.487 3.821 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.941 -5.204 3.031 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.659 -2.315 3.598 1.00 0.00 C ATOM 0 H ILE A 91 7.944 -4.428 2.631 1.00 0.00 H new ATOM 0 HA ILE A 91 6.151 -6.290 4.010 1.00 0.00 H new ATOM 0 HB ILE A 91 5.450 -4.281 1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.475 -3.842 4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.620 -3.147 3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 91 3.215 -4.408 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.773 -6.003 2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.826 -5.597 4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.888 -1.527 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.790 -1.933 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.627 -2.639 3.732 1.00 0.00 H new ATOM 1408 N ASP A 92 5.435 -7.706 2.001 1.00 0.00 N ATOM 1409 CA ASP A 92 5.283 -8.703 0.949 1.00 0.00 C ATOM 1410 C ASP A 92 3.975 -8.498 0.190 1.00 0.00 C ATOM 1411 O ASP A 92 2.893 -8.540 0.775 1.00 0.00 O ATOM 1412 CB ASP A 92 5.326 -10.112 1.542 1.00 0.00 C ATOM 1413 CG ASP A 92 5.781 -11.151 0.536 1.00 0.00 C ATOM 1414 OD1 ASP A 92 6.913 -11.025 0.023 1.00 0.00 O ATOM 1415 OD2 ASP A 92 5.006 -12.090 0.262 1.00 0.00 O ATOM 0 H ASP A 92 4.794 -7.820 2.786 1.00 0.00 H new ATOM 0 HA ASP A 92 6.111 -8.585 0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.999 -10.122 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.336 -10.378 1.911 1.00 0.00 H new ATOM 1420 N VAL A 93 4.084 -8.275 -1.116 1.00 0.00 N ATOM 1421 CA VAL A 93 2.911 -8.063 -1.955 1.00 0.00 C ATOM 1422 C VAL A 93 3.049 -8.792 -3.287 1.00 0.00 C ATOM 1423 O VAL A 93 4.153 -9.143 -3.704 1.00 0.00 O ATOM 1424 CB VAL A 93 2.677 -6.565 -2.225 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.437 -6.363 -3.082 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.560 -5.800 -0.915 1.00 0.00 C ATOM 0 H VAL A 93 4.973 -8.237 -1.615 1.00 0.00 H new ATOM 0 HA VAL A 93 2.056 -8.465 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 93 3.535 -6.174 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.288 -5.298 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.565 -6.877 -4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.567 -6.768 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.395 -4.743 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.721 -6.191 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.480 -5.917 -0.342 1.00 0.00 H new ATOM 1436 N PHE A 94 1.920 -9.018 -3.952 1.00 0.00 N ATOM 1437 CA PHE A 94 1.914 -9.706 -5.237 1.00 0.00 C ATOM 1438 C PHE A 94 1.221 -8.862 -6.303 1.00 0.00 C ATOM 1439 O PHE A 94 0.004 -8.685 -6.274 1.00 0.00 O ATOM 1440 CB PHE A 94 1.216 -11.062 -5.110 1.00 0.00 C ATOM 1441 CG PHE A 94 1.653 -11.851 -3.909 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.230 -11.495 -2.639 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.486 -12.949 -4.051 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.631 -12.219 -1.532 1.00 0.00 C ATOM 1445 CE2 PHE A 94 2.890 -13.677 -2.948 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.461 -13.312 -1.687 1.00 0.00 C ATOM 0 H PHE A 94 0.998 -8.734 -3.621 1.00 0.00 H new ATOM 0 HA PHE A 94 2.949 -9.865 -5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.139 -10.904 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.410 -11.647 -6.009 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.580 -10.642 -2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.823 -13.239 -5.035 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.296 -11.930 -0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.540 -14.530 -3.072 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.774 -13.880 -0.824 1.00 0.00 H new ATOM 1456 N GLN A 95 2.007 -8.344 -7.242 1.00 0.00 N ATOM 1457 CA GLN A 95 1.469 -7.518 -8.316 1.00 0.00 C ATOM 1458 C GLN A 95 1.112 -8.369 -9.531 1.00 0.00 C ATOM 1459 O GLN A 95 1.990 -8.809 -10.271 1.00 0.00 O ATOM 1460 CB GLN A 95 2.479 -6.440 -8.713 1.00 0.00 C ATOM 1461 CG GLN A 95 2.367 -5.168 -7.888 1.00 0.00 C ATOM 1462 CD GLN A 95 2.951 -3.961 -8.595 1.00 0.00 C ATOM 1463 OE1 GLN A 95 2.874 -3.845 -9.818 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.541 -3.052 -7.826 1.00 0.00 N ATOM 0 H GLN A 95 3.017 -8.482 -7.280 1.00 0.00 H new ATOM 0 HA GLN A 95 0.560 -7.039 -7.951 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.487 -6.842 -8.610 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.340 -6.194 -9.766 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.318 -4.979 -7.660 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.879 -5.310 -6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.582 -3.188 -6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.952 -2.218 -8.246 1.00 0.00 H new