USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=14 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 120:sc= -0.122 USER MOD Set 1.2: A 95 GLN : amide:sc= 1.19 K(o=1.1,f=-1.1!) USER MOD Set 2.1: A 42 LYS NZ :NH3+ 158:sc= -0.0677 (180deg=-0.575) USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 24 HIS : no HD1:sc= -2.31! K(o=-2.3!,f=-1.3) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.83) 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 44 HIS : no HD1:sc= -0.0311 X(o=-0.031,f=-0.3) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -136:sc= -0.197 (180deg=-0.814) USER MOD Single : A 51 MET CE :methyl -116:sc= -0.223 (180deg=-3.45) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= -0.0905 (180deg=-0.644) USER MOD Single : A 55 CYS SG : rot 53:sc= -4.12! USER MOD Single : A 58 GLN : amide:sc= -0.0889 X(o=-0.089,f=-0.27) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0566 USER MOD Single : A 62 MET CE :methyl -110:sc= -0.948 (180deg=-3.58!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 75 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0519 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 85 MET CE :methyl 165:sc= -0.268 (180deg=-0.917) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 24 7.655 7.884 12.678 1.00 0.00 N ATOM 308 CA HIS A 24 7.018 7.058 11.658 1.00 0.00 C ATOM 309 C HIS A 24 7.943 5.926 11.220 1.00 0.00 C ATOM 310 O HIS A 24 9.156 5.988 11.423 1.00 0.00 O ATOM 311 CB HIS A 24 6.631 7.911 10.450 1.00 0.00 C ATOM 312 CG HIS A 24 5.828 9.124 10.806 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.898 9.139 11.824 1.00 0.00 N ATOM 314 CD2 HIS A 24 5.823 10.369 10.275 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.354 10.340 11.902 1.00 0.00 C ATOM 316 NE2 HIS A 24 4.898 11.106 10.973 1.00 0.00 N ATOM 0 HA HIS A 24 6.117 6.622 12.089 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.537 8.225 9.932 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.060 7.299 9.752 1.00 0.00 H new ATOM 0 HD2 HIS A 24 6.433 10.718 9.455 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.593 10.644 12.606 1.00 0.00 H new ATOM 0 HE2 HIS A 24 4.668 12.085 10.802 1.00 0.00 H new ATOM 325 N ILE A 25 7.362 4.892 10.621 1.00 0.00 N ATOM 326 CA ILE A 25 8.134 3.747 10.155 1.00 0.00 C ATOM 327 C ILE A 25 8.041 3.601 8.640 1.00 0.00 C ATOM 328 O ILE A 25 6.994 3.855 8.045 1.00 0.00 O ATOM 329 CB ILE A 25 7.657 2.440 10.815 1.00 0.00 C ATOM 330 CG1 ILE A 25 6.205 2.149 10.430 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.802 2.527 12.327 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.620 0.949 11.143 1.00 0.00 C ATOM 0 H ILE A 25 6.359 4.824 10.447 1.00 0.00 H new ATOM 0 HA ILE A 25 9.171 3.930 10.437 1.00 0.00 H new ATOM 0 HB ILE A 25 8.280 1.621 10.456 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.596 3.026 10.651 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.149 1.985 9.354 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.461 1.596 12.779 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.848 2.693 12.583 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.201 3.355 12.703 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.589 0.802 10.822 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.205 0.062 10.902 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.644 1.118 12.220 1.00 0.00 H new ATOM 344 N ASN A 26 9.143 3.188 8.022 1.00 0.00 N ATOM 345 CA ASN A 26 9.185 3.006 6.575 1.00 0.00 C ATOM 346 C ASN A 26 9.197 1.524 6.213 1.00 0.00 C ATOM 347 O ASN A 26 10.052 0.768 6.676 1.00 0.00 O ATOM 348 CB ASN A 26 10.419 3.696 5.990 1.00 0.00 C ATOM 349 CG ASN A 26 10.565 5.127 6.470 1.00 0.00 C ATOM 350 OD1 ASN A 26 9.702 5.968 6.219 1.00 0.00 O ATOM 351 ND2 ASN A 26 11.660 5.409 7.166 1.00 0.00 N ATOM 0 H ASN A 26 10.018 2.973 8.500 1.00 0.00 H new ATOM 0 HA ASN A 26 8.288 3.458 6.150 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.311 3.132 6.263 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.356 3.686 4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.812 6.355 7.516 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.349 4.680 7.350 1.00 0.00 H new ATOM 358 N LEU A 27 8.244 1.116 5.383 1.00 0.00 N ATOM 359 CA LEU A 27 8.144 -0.276 4.957 1.00 0.00 C ATOM 360 C LEU A 27 8.386 -0.405 3.457 1.00 0.00 C ATOM 361 O LEU A 27 7.729 0.257 2.652 1.00 0.00 O ATOM 362 CB LEU A 27 6.769 -0.842 5.315 1.00 0.00 C ATOM 363 CG LEU A 27 6.126 -0.290 6.588 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.637 -0.596 6.610 1.00 0.00 C ATOM 365 CD2 LEU A 27 6.809 -0.863 7.822 1.00 0.00 C ATOM 0 H LEU A 27 7.529 1.729 4.991 1.00 0.00 H new ATOM 0 HA LEU A 27 8.912 -0.846 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.093 -0.656 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.859 -1.923 5.417 1.00 0.00 H new ATOM 0 HG LEU A 27 6.253 0.793 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.197 -0.196 7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.158 -0.137 5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.487 -1.675 6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.339 -0.459 8.719 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.713 -1.949 7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.865 -0.592 7.813 1.00 0.00 H new ATOM 377 N LYS A 28 9.330 -1.262 3.086 1.00 0.00 N ATOM 378 CA LYS A 28 9.657 -1.482 1.683 1.00 0.00 C ATOM 379 C LYS A 28 8.825 -2.621 1.102 1.00 0.00 C ATOM 380 O LYS A 28 8.954 -3.772 1.519 1.00 0.00 O ATOM 381 CB LYS A 28 11.147 -1.794 1.527 1.00 0.00 C ATOM 382 CG LYS A 28 12.054 -0.634 1.899 1.00 0.00 C ATOM 383 CD LYS A 28 13.405 -1.118 2.396 1.00 0.00 C ATOM 384 CE LYS A 28 14.169 -0.010 3.104 1.00 0.00 C ATOM 385 NZ LYS A 28 14.983 0.797 2.154 1.00 0.00 N ATOM 0 H LYS A 28 9.883 -1.817 3.739 1.00 0.00 H new ATOM 0 HA LYS A 28 9.424 -0.569 1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.397 -2.653 2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.343 -2.081 0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.195 0.011 1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.576 -0.031 2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.264 -1.957 3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.992 -1.486 1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.466 0.641 3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.821 -0.445 3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.488 1.542 2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.671 0.181 1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.359 1.233 1.446 1.00 0.00 H new ATOM 399 N VAL A 29 7.972 -2.293 0.137 1.00 0.00 N ATOM 400 CA VAL A 29 7.121 -3.289 -0.503 1.00 0.00 C ATOM 401 C VAL A 29 7.788 -3.865 -1.747 1.00 0.00 C ATOM 402 O VAL A 29 7.989 -3.163 -2.737 1.00 0.00 O ATOM 403 CB VAL A 29 5.756 -2.693 -0.895 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.879 -3.750 -1.548 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.068 -2.095 0.322 1.00 0.00 C ATOM 0 H VAL A 29 7.852 -1.345 -0.219 1.00 0.00 H new ATOM 0 HA VAL A 29 6.966 -4.086 0.224 1.00 0.00 H new ATOM 0 HB VAL A 29 5.921 -1.895 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.919 -3.310 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.370 -4.127 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.718 -4.571 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.105 -1.678 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.913 -2.872 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.692 -1.306 0.741 1.00 0.00 H new ATOM 415 N ALA A 30 8.129 -5.148 -1.689 1.00 0.00 N ATOM 416 CA ALA A 30 8.772 -5.819 -2.812 1.00 0.00 C ATOM 417 C ALA A 30 7.738 -6.456 -3.735 1.00 0.00 C ATOM 418 O ALA A 30 6.895 -7.235 -3.294 1.00 0.00 O ATOM 419 CB ALA A 30 9.751 -6.870 -2.309 1.00 0.00 C ATOM 0 H ALA A 30 7.971 -5.744 -0.876 1.00 0.00 H new ATOM 0 HA ALA A 30 9.321 -5.071 -3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.224 -7.363 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.515 -6.392 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.217 -7.609 -1.712 1.00 0.00 H new ATOM 479 N VAL A 36 10.779 -1.493 -5.986 1.00 0.00 N ATOM 480 CA VAL A 36 10.449 -1.455 -4.566 1.00 0.00 C ATOM 481 C VAL A 36 9.743 -0.154 -4.201 1.00 0.00 C ATOM 482 O VAL A 36 10.255 0.936 -4.456 1.00 0.00 O ATOM 483 CB VAL A 36 11.709 -1.605 -3.693 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.352 -1.495 -2.218 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.403 -2.927 -3.984 1.00 0.00 C ATOM 0 HA VAL A 36 9.781 -2.294 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 36 12.398 -0.797 -3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.254 -1.603 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.901 -0.522 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.644 -2.281 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.291 -3.017 -3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.722 -3.751 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.693 -2.962 -5.034 1.00 0.00 H new ATOM 495 N VAL A 37 8.563 -0.275 -3.601 1.00 0.00 N ATOM 496 CA VAL A 37 7.787 0.891 -3.198 1.00 0.00 C ATOM 497 C VAL A 37 7.809 1.070 -1.684 1.00 0.00 C ATOM 498 O VAL A 37 7.407 0.178 -0.938 1.00 0.00 O ATOM 499 CB VAL A 37 6.325 0.782 -3.670 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.601 2.106 -3.476 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.266 0.341 -5.124 1.00 0.00 C ATOM 0 H VAL A 37 8.124 -1.169 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 37 8.250 1.758 -3.670 1.00 0.00 H new ATOM 0 HB VAL A 37 5.822 0.028 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.570 2.010 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.612 2.375 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.102 2.883 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.225 0.269 -5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.785 1.070 -5.747 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.745 -0.633 -5.229 1.00 0.00 H new ATOM 511 N GLN A 38 8.280 2.230 -1.238 1.00 0.00 N ATOM 512 CA GLN A 38 8.355 2.526 0.188 1.00 0.00 C ATOM 513 C GLN A 38 7.143 3.333 0.641 1.00 0.00 C ATOM 514 O GLN A 38 6.446 3.936 -0.176 1.00 0.00 O ATOM 515 CB GLN A 38 9.640 3.292 0.505 1.00 0.00 C ATOM 516 CG GLN A 38 10.875 2.408 0.569 1.00 0.00 C ATOM 517 CD GLN A 38 12.163 3.191 0.405 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.568 3.936 1.298 1.00 0.00 O ATOM 519 NE2 GLN A 38 12.814 3.026 -0.741 1.00 0.00 N ATOM 0 H GLN A 38 8.615 2.980 -1.843 1.00 0.00 H new ATOM 0 HA GLN A 38 8.362 1.580 0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.792 4.060 -0.254 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.521 3.806 1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.892 1.883 1.524 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.814 1.649 -0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.441 2.398 -1.453 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.687 3.527 -0.909 1.00 0.00 H new ATOM 528 N PHE A 39 6.897 3.341 1.946 1.00 0.00 N ATOM 529 CA PHE A 39 5.768 4.074 2.508 1.00 0.00 C ATOM 530 C PHE A 39 6.073 4.539 3.928 1.00 0.00 C ATOM 531 O PHE A 39 6.622 3.788 4.735 1.00 0.00 O ATOM 532 CB PHE A 39 4.513 3.199 2.504 1.00 0.00 C ATOM 533 CG PHE A 39 4.042 2.832 1.126 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.515 1.689 0.500 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.128 3.628 0.456 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.084 1.349 -0.768 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.693 3.293 -0.813 1.00 0.00 C ATOM 538 CZ PHE A 39 3.171 2.151 -1.425 1.00 0.00 C ATOM 0 H PHE A 39 7.464 2.848 2.635 1.00 0.00 H new ATOM 0 HA PHE A 39 5.592 4.953 1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.714 2.287 3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.712 3.724 3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.228 1.057 1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.750 4.522 0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.461 0.456 -1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.981 3.923 -1.325 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.832 1.885 -2.415 1.00 0.00 H new ATOM 548 N LYS A 40 5.714 5.783 4.228 1.00 0.00 N ATOM 549 CA LYS A 40 5.948 6.350 5.550 1.00 0.00 C ATOM 550 C LYS A 40 4.632 6.734 6.218 1.00 0.00 C ATOM 551 O LYS A 40 4.007 7.730 5.853 1.00 0.00 O ATOM 552 CB LYS A 40 6.857 7.576 5.448 1.00 0.00 C ATOM 553 CG LYS A 40 7.265 8.145 6.796 1.00 0.00 C ATOM 554 CD LYS A 40 8.456 9.081 6.670 1.00 0.00 C ATOM 555 CE LYS A 40 9.049 9.415 8.030 1.00 0.00 C ATOM 556 NZ LYS A 40 9.971 10.582 7.961 1.00 0.00 N ATOM 0 H LYS A 40 5.259 6.418 3.572 1.00 0.00 H new ATOM 0 HA LYS A 40 6.438 5.592 6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.754 7.307 4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.346 8.350 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.424 8.682 7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.512 7.330 7.476 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.219 8.619 6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.147 10.000 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.245 9.628 8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.588 8.549 8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.354 10.778 8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.752 10.369 7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.451 11.415 7.619 1.00 0.00 H new ATOM 570 N ILE A 41 4.217 5.939 7.198 1.00 0.00 N ATOM 571 CA ILE A 41 2.976 6.198 7.918 1.00 0.00 C ATOM 572 C ILE A 41 3.206 6.202 9.426 1.00 0.00 C ATOM 573 O ILE A 41 4.316 5.956 9.897 1.00 0.00 O ATOM 574 CB ILE A 41 1.898 5.152 7.577 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.183 3.837 8.307 1.00 0.00 C ATOM 576 CG2 ILE A 41 1.836 4.927 6.074 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.081 2.813 8.159 1.00 0.00 C ATOM 0 H ILE A 41 4.722 5.110 7.512 1.00 0.00 H new ATOM 0 HA ILE A 41 2.628 7.182 7.603 1.00 0.00 H new ATOM 0 HB ILE A 41 0.930 5.527 7.909 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.114 3.415 7.928 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.335 4.044 9.366 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.070 4.185 5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.591 5.865 5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.803 4.569 5.719 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.351 1.907 8.702 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.153 3.216 8.564 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.943 2.576 7.104 1.00 0.00 H new ATOM 589 N LYS A 42 2.147 6.481 10.179 1.00 0.00 N ATOM 590 CA LYS A 42 2.231 6.515 11.634 1.00 0.00 C ATOM 591 C LYS A 42 1.969 5.134 12.226 1.00 0.00 C ATOM 592 O LYS A 42 1.390 4.267 11.571 1.00 0.00 O ATOM 593 CB LYS A 42 1.227 7.522 12.200 1.00 0.00 C ATOM 594 CG LYS A 42 1.287 8.883 11.529 1.00 0.00 C ATOM 595 CD LYS A 42 0.062 9.720 11.854 1.00 0.00 C ATOM 596 CE LYS A 42 -0.083 10.893 10.897 1.00 0.00 C ATOM 597 NZ LYS A 42 -0.297 10.441 9.494 1.00 0.00 N ATOM 0 H LYS A 42 1.221 6.687 9.805 1.00 0.00 H new ATOM 0 HA LYS A 42 3.240 6.824 11.908 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.220 7.118 12.093 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.410 7.644 13.268 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.185 9.410 11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.365 8.754 10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.830 9.096 11.803 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.134 10.090 12.877 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.921 11.515 11.210 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.811 11.514 10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.751 11.202 8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.619 10.205 9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.909 9.600 9.490 1.00 0.00 H new ATOM 611 N ARG A 43 2.399 4.936 13.468 1.00 0.00 N ATOM 612 CA ARG A 43 2.211 3.660 14.148 1.00 0.00 C ATOM 613 C ARG A 43 0.733 3.410 14.435 1.00 0.00 C ATOM 614 O ARG A 43 0.254 2.279 14.340 1.00 0.00 O ATOM 615 CB ARG A 43 3.007 3.631 15.453 1.00 0.00 C ATOM 616 CG ARG A 43 2.668 4.771 16.400 1.00 0.00 C ATOM 617 CD ARG A 43 3.742 4.953 17.460 1.00 0.00 C ATOM 618 NE ARG A 43 3.614 6.232 18.155 1.00 0.00 N ATOM 619 CZ ARG A 43 4.273 6.532 19.268 1.00 0.00 C ATOM 620 NH1 ARG A 43 5.102 5.651 19.810 1.00 0.00 N ATOM 621 NH2 ARG A 43 4.103 7.717 19.842 1.00 0.00 N ATOM 0 H ARG A 43 2.880 5.643 14.024 1.00 0.00 H new ATOM 0 HA ARG A 43 2.575 2.870 13.491 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.824 2.683 15.959 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.071 3.668 15.220 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.555 5.695 15.833 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.710 4.573 16.881 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.679 4.140 18.183 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.725 4.890 16.994 1.00 0.00 H new ATOM 0 HE ARG A 43 2.984 6.932 17.764 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.235 4.740 19.372 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.607 5.885 20.665 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.466 8.398 19.428 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.609 7.947 20.697 1.00 0.00 H new ATOM 635 N HIS A 44 0.016 4.472 14.788 1.00 0.00 N ATOM 636 CA HIS A 44 -1.407 4.368 15.089 1.00 0.00 C ATOM 637 C HIS A 44 -2.239 4.431 13.812 1.00 0.00 C ATOM 638 O HIS A 44 -3.452 4.219 13.837 1.00 0.00 O ATOM 639 CB HIS A 44 -1.831 5.485 16.043 1.00 0.00 C ATOM 640 CG HIS A 44 -2.215 6.754 15.346 1.00 0.00 C ATOM 641 ND1 HIS A 44 -3.511 7.048 14.978 1.00 0.00 N ATOM 642 CD2 HIS A 44 -1.465 7.809 14.952 1.00 0.00 C ATOM 643 CE1 HIS A 44 -3.541 8.229 14.386 1.00 0.00 C ATOM 644 NE2 HIS A 44 -2.312 8.712 14.358 1.00 0.00 N ATOM 0 H HIS A 44 0.397 5.414 14.873 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.582 3.405 15.568 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.674 5.140 16.642 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.013 5.692 16.733 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.398 7.920 15.081 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.421 8.716 13.992 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -2.037 9.610 13.960 1.00 0.00 H new ATOM 653 N THR A 45 -1.580 4.723 12.695 1.00 0.00 N ATOM 654 CA THR A 45 -2.258 4.816 11.409 1.00 0.00 C ATOM 655 C THR A 45 -2.416 3.441 10.770 1.00 0.00 C ATOM 656 O THR A 45 -1.465 2.665 10.667 1.00 0.00 O ATOM 657 CB THR A 45 -1.496 5.736 10.437 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.649 7.103 10.834 1.00 0.00 O ATOM 659 CG2 THR A 45 -2.001 5.557 9.013 1.00 0.00 C ATOM 0 H THR A 45 -0.576 4.899 12.656 1.00 0.00 H new ATOM 0 HA THR A 45 -3.244 5.240 11.602 1.00 0.00 H new ATOM 0 HB THR A 45 -0.441 5.465 10.468 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.160 7.681 10.212 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.448 6.217 8.345 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.856 4.522 8.703 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.062 5.803 8.970 1.00 0.00 H new ATOM 667 N PRO A 46 -3.644 3.129 10.330 1.00 0.00 N ATOM 668 CA PRO A 46 -3.954 1.846 9.692 1.00 0.00 C ATOM 669 C PRO A 46 -3.320 1.717 8.312 1.00 0.00 C ATOM 670 O PRO A 46 -3.325 2.663 7.524 1.00 0.00 O ATOM 671 CB PRO A 46 -5.481 1.866 9.580 1.00 0.00 C ATOM 672 CG PRO A 46 -5.840 3.312 9.556 1.00 0.00 C ATOM 673 CD PRO A 46 -4.824 4.005 10.421 1.00 0.00 C ATOM 0 HA PRO A 46 -3.566 1.002 10.263 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.818 1.359 8.676 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.947 1.356 10.424 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.818 3.703 8.539 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.849 3.470 9.936 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.607 5.010 10.059 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.172 4.104 11.449 1.00 0.00 H new ATOM 681 N LEU A 47 -2.775 0.540 8.024 1.00 0.00 N ATOM 682 CA LEU A 47 -2.137 0.286 6.737 1.00 0.00 C ATOM 683 C LEU A 47 -3.062 0.668 5.586 1.00 0.00 C ATOM 684 O LEU A 47 -2.610 0.905 4.466 1.00 0.00 O ATOM 685 CB LEU A 47 -1.744 -1.188 6.623 1.00 0.00 C ATOM 686 CG LEU A 47 -0.795 -1.715 7.700 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.650 -3.225 7.591 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.564 -1.038 7.592 1.00 0.00 C ATOM 0 H LEU A 47 -2.762 -0.254 8.665 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.239 0.901 6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.654 -1.788 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.280 -1.345 5.649 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.219 -1.480 8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.029 -3.582 8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.625 -3.694 7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.249 -3.482 6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.226 -1.426 8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.995 -1.241 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.446 0.038 7.721 1.00 0.00 H new ATOM 700 N SER A 48 -4.359 0.728 5.871 1.00 0.00 N ATOM 701 CA SER A 48 -5.348 1.080 4.859 1.00 0.00 C ATOM 702 C SER A 48 -4.786 2.112 3.885 1.00 0.00 C ATOM 703 O SER A 48 -4.662 1.851 2.688 1.00 0.00 O ATOM 704 CB SER A 48 -6.615 1.625 5.521 1.00 0.00 C ATOM 705 OG SER A 48 -7.687 1.686 4.597 1.00 0.00 O ATOM 0 H SER A 48 -4.749 0.537 6.794 1.00 0.00 H new ATOM 0 HA SER A 48 -5.597 0.177 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.892 0.990 6.362 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.420 2.619 5.923 1.00 0.00 H new ATOM 0 HG SER A 48 -8.485 2.036 5.045 1.00 0.00 H new ATOM 711 N LYS A 49 -4.446 3.285 4.408 1.00 0.00 N ATOM 712 CA LYS A 49 -3.896 4.358 3.588 1.00 0.00 C ATOM 713 C LYS A 49 -2.696 3.867 2.784 1.00 0.00 C ATOM 714 O LYS A 49 -2.580 4.144 1.589 1.00 0.00 O ATOM 715 CB LYS A 49 -3.484 5.541 4.467 1.00 0.00 C ATOM 716 CG LYS A 49 -4.590 6.028 5.387 1.00 0.00 C ATOM 717 CD LYS A 49 -5.433 7.104 4.725 1.00 0.00 C ATOM 718 CE LYS A 49 -6.731 7.342 5.483 1.00 0.00 C ATOM 719 NZ LYS A 49 -7.554 6.105 5.574 1.00 0.00 N ATOM 0 H LYS A 49 -4.542 3.517 5.397 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.670 4.683 2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.622 5.253 5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.165 6.364 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.226 5.189 5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.154 6.420 6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.865 8.033 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.658 6.812 3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.505 7.702 6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.304 8.124 4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.548 6.334 5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.212 5.409 4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.477 5.707 6.532 1.00 0.00 H new ATOM 733 N LEU A 50 -1.805 3.137 3.446 1.00 0.00 N ATOM 734 CA LEU A 50 -0.614 2.605 2.792 1.00 0.00 C ATOM 735 C LEU A 50 -0.990 1.734 1.598 1.00 0.00 C ATOM 736 O LEU A 50 -0.629 2.034 0.461 1.00 0.00 O ATOM 737 CB LEU A 50 0.219 1.794 3.787 1.00 0.00 C ATOM 738 CG LEU A 50 1.057 0.662 3.194 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.919 1.177 2.052 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.922 0.019 4.269 1.00 0.00 C ATOM 0 H LEU A 50 -1.884 2.900 4.435 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.022 3.446 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.887 2.477 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.454 1.369 4.532 1.00 0.00 H new ATOM 0 HG LEU A 50 0.381 -0.096 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.508 0.357 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.280 1.590 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.587 1.954 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.512 -0.785 3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.590 0.768 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.284 -0.387 5.054 1.00 0.00 H new ATOM 752 N MET A 51 -1.721 0.657 1.865 1.00 0.00 N ATOM 753 CA MET A 51 -2.149 -0.256 0.812 1.00 0.00 C ATOM 754 C MET A 51 -2.779 0.510 -0.348 1.00 0.00 C ATOM 755 O MET A 51 -2.220 0.567 -1.443 1.00 0.00 O ATOM 756 CB MET A 51 -3.146 -1.276 1.365 1.00 0.00 C ATOM 757 CG MET A 51 -2.625 -2.043 2.569 1.00 0.00 C ATOM 758 SD MET A 51 -3.941 -2.557 3.689 1.00 0.00 S ATOM 759 CE MET A 51 -3.338 -4.162 4.207 1.00 0.00 C ATOM 0 H MET A 51 -2.029 0.395 2.801 1.00 0.00 H new ATOM 0 HA MET A 51 -1.269 -0.783 0.443 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.065 -0.760 1.643 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.404 -1.984 0.577 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.081 -2.923 2.226 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.914 -1.420 3.112 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.026 -4.936 3.867 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.352 -4.337 3.776 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.269 -4.191 5.294 1.00 0.00 H new ATOM 769 N LYS A 52 -3.945 1.097 -0.100 1.00 0.00 N ATOM 770 CA LYS A 52 -4.651 1.860 -1.122 1.00 0.00 C ATOM 771 C LYS A 52 -3.671 2.649 -1.985 1.00 0.00 C ATOM 772 O LYS A 52 -3.692 2.551 -3.212 1.00 0.00 O ATOM 773 CB LYS A 52 -5.656 2.813 -0.473 1.00 0.00 C ATOM 774 CG LYS A 52 -6.736 2.105 0.327 1.00 0.00 C ATOM 775 CD LYS A 52 -8.038 2.889 0.323 1.00 0.00 C ATOM 776 CE LYS A 52 -8.928 2.484 -0.842 1.00 0.00 C ATOM 777 NZ LYS A 52 -8.608 3.251 -2.078 1.00 0.00 N ATOM 0 H LYS A 52 -4.421 1.059 0.801 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.186 1.157 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.121 3.500 0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.127 3.415 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.907 1.112 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.397 1.966 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.567 2.723 1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.822 3.956 0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.810 1.418 -1.036 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.972 2.646 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.416 3.210 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.413 4.242 -1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.771 2.837 -2.536 1.00 0.00 H new ATOM 791 N ALA A 53 -2.813 3.429 -1.336 1.00 0.00 N ATOM 792 CA ALA A 53 -1.823 4.231 -2.045 1.00 0.00 C ATOM 793 C ALA A 53 -0.999 3.371 -2.997 1.00 0.00 C ATOM 794 O ALA A 53 -0.769 3.746 -4.147 1.00 0.00 O ATOM 795 CB ALA A 53 -0.915 4.944 -1.054 1.00 0.00 C ATOM 0 H ALA A 53 -2.783 3.523 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.352 4.977 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.181 5.539 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.512 5.597 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.401 4.207 -0.437 1.00 0.00 H new ATOM 801 N TYR A 54 -0.556 2.217 -2.511 1.00 0.00 N ATOM 802 CA TYR A 54 0.246 1.305 -3.318 1.00 0.00 C ATOM 803 C TYR A 54 -0.459 0.975 -4.630 1.00 0.00 C ATOM 804 O TYR A 54 0.186 0.707 -5.644 1.00 0.00 O ATOM 805 CB TYR A 54 0.531 0.018 -2.541 1.00 0.00 C ATOM 806 CG TYR A 54 1.379 -0.974 -3.303 1.00 0.00 C ATOM 807 CD1 TYR A 54 2.763 -0.853 -3.337 1.00 0.00 C ATOM 808 CD2 TYR A 54 0.797 -2.034 -3.988 1.00 0.00 C ATOM 809 CE1 TYR A 54 3.542 -1.757 -4.032 1.00 0.00 C ATOM 810 CE2 TYR A 54 1.569 -2.943 -4.685 1.00 0.00 C ATOM 811 CZ TYR A 54 2.941 -2.801 -4.704 1.00 0.00 C ATOM 812 OH TYR A 54 3.713 -3.704 -5.397 1.00 0.00 O ATOM 0 H TYR A 54 -0.739 1.891 -1.562 1.00 0.00 H new ATOM 0 HA TYR A 54 1.190 1.799 -3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.033 0.271 -1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.415 -0.454 -2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.238 -0.038 -2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.277 -2.149 -3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.616 -1.647 -4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.101 -3.761 -5.212 1.00 0.00 H new ATOM 0 HH TYR A 54 3.573 -4.602 -5.032 1.00 0.00 H new ATOM 822 N CYS A 55 -1.787 0.997 -4.601 1.00 0.00 N ATOM 823 CA CYS A 55 -2.582 0.700 -5.788 1.00 0.00 C ATOM 824 C CYS A 55 -2.607 1.893 -6.738 1.00 0.00 C ATOM 825 O CYS A 55 -2.184 1.791 -7.889 1.00 0.00 O ATOM 826 CB CYS A 55 -4.008 0.319 -5.389 1.00 0.00 C ATOM 827 SG CYS A 55 -4.104 -0.811 -3.981 1.00 0.00 S ATOM 0 H CYS A 55 -2.336 1.217 -3.770 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.120 -0.142 -6.304 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.562 1.227 -5.151 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.503 -0.141 -6.245 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.422 -0.325 -2.987 1.00 0.00 H new ATOM 833 N GLU A 56 -3.108 3.022 -6.247 1.00 0.00 N ATOM 834 CA GLU A 56 -3.191 4.234 -7.054 1.00 0.00 C ATOM 835 C GLU A 56 -1.831 4.586 -7.650 1.00 0.00 C ATOM 836 O GLU A 56 -1.734 4.984 -8.810 1.00 0.00 O ATOM 837 CB GLU A 56 -3.708 5.401 -6.210 1.00 0.00 C ATOM 838 CG GLU A 56 -2.620 6.112 -5.423 1.00 0.00 C ATOM 839 CD GLU A 56 -3.154 7.270 -4.604 1.00 0.00 C ATOM 840 OE1 GLU A 56 -3.941 7.021 -3.667 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.785 8.426 -4.900 1.00 0.00 O ATOM 0 H GLU A 56 -3.462 3.123 -5.296 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.889 4.048 -7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.201 6.121 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.463 5.030 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.131 5.398 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.860 6.480 -6.112 1.00 0.00 H new ATOM 848 N ARG A 57 -0.783 4.435 -6.846 1.00 0.00 N ATOM 849 CA ARG A 57 0.571 4.738 -7.292 1.00 0.00 C ATOM 850 C ARG A 57 0.827 4.165 -8.682 1.00 0.00 C ATOM 851 O ARG A 57 1.354 4.850 -9.558 1.00 0.00 O ATOM 852 CB ARG A 57 1.594 4.178 -6.302 1.00 0.00 C ATOM 853 CG ARG A 57 3.023 4.603 -6.597 1.00 0.00 C ATOM 854 CD ARG A 57 3.941 4.328 -5.416 1.00 0.00 C ATOM 855 NE ARG A 57 3.837 5.362 -4.389 1.00 0.00 N ATOM 856 CZ ARG A 57 4.428 6.548 -4.479 1.00 0.00 C ATOM 857 NH1 ARG A 57 5.160 6.850 -5.543 1.00 0.00 N ATOM 858 NH2 ARG A 57 4.286 7.437 -3.503 1.00 0.00 N ATOM 0 H ARG A 57 -0.846 4.105 -5.883 1.00 0.00 H new ATOM 0 HA ARG A 57 0.677 5.822 -7.340 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.328 4.502 -5.296 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.538 3.089 -6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.388 4.070 -7.475 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.045 5.666 -6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.693 3.360 -4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.972 4.266 -5.765 1.00 0.00 H new ATOM 0 HE ARG A 57 3.280 5.162 -3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.271 6.170 -6.296 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.612 7.762 -5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.723 7.209 -2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.740 8.348 -3.573 1.00 0.00 H new ATOM 872 N GLN A 58 0.450 2.905 -8.876 1.00 0.00 N ATOM 873 CA GLN A 58 0.640 2.241 -10.160 1.00 0.00 C ATOM 874 C GLN A 58 -0.621 2.333 -11.013 1.00 0.00 C ATOM 875 O GLN A 58 -0.592 2.851 -12.128 1.00 0.00 O ATOM 876 CB GLN A 58 1.019 0.774 -9.947 1.00 0.00 C ATOM 877 CG GLN A 58 2.241 0.584 -9.063 1.00 0.00 C ATOM 878 CD GLN A 58 3.470 1.285 -9.608 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.710 1.295 -10.816 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.257 1.878 -8.718 1.00 0.00 N ATOM 0 H GLN A 58 0.012 2.324 -8.161 1.00 0.00 H new ATOM 0 HA GLN A 58 1.450 2.747 -10.686 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.173 0.250 -9.502 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.206 0.311 -10.916 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.024 0.963 -8.064 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.450 -0.481 -8.962 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.021 1.845 -7.726 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.098 2.366 -9.026 1.00 0.00 H new ATOM 889 N GLY A 59 -1.729 1.827 -10.479 1.00 0.00 N ATOM 890 CA GLY A 59 -2.985 1.862 -11.206 1.00 0.00 C ATOM 891 C GLY A 59 -3.677 0.514 -11.233 1.00 0.00 C ATOM 892 O GLY A 59 -4.349 0.172 -12.207 1.00 0.00 O ATOM 0 H GLY A 59 -1.779 1.394 -9.557 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.646 2.597 -10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.801 2.193 -12.228 1.00 0.00 H new ATOM 896 N LEU A 60 -3.513 -0.255 -10.162 1.00 0.00 N ATOM 897 CA LEU A 60 -4.126 -1.576 -10.067 1.00 0.00 C ATOM 898 C LEU A 60 -5.281 -1.569 -9.071 1.00 0.00 C ATOM 899 O LEU A 60 -5.568 -0.549 -8.445 1.00 0.00 O ATOM 900 CB LEU A 60 -3.083 -2.615 -9.651 1.00 0.00 C ATOM 901 CG LEU A 60 -1.703 -2.476 -10.294 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.631 -3.061 -9.388 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.679 -3.153 -11.657 1.00 0.00 C ATOM 0 H LEU A 60 -2.961 0.013 -9.347 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.519 -1.839 -11.049 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.964 -2.567 -8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.473 -3.606 -9.885 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.493 -1.415 -10.433 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.345 -2.953 -9.862 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.632 -2.532 -8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.836 -4.118 -9.217 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.689 -3.044 -12.100 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.910 -4.212 -11.541 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.420 -2.689 -12.307 1.00 0.00 H new ATOM 915 N SER A 61 -5.938 -2.716 -8.928 1.00 0.00 N ATOM 916 CA SER A 61 -7.063 -2.842 -8.009 1.00 0.00 C ATOM 917 C SER A 61 -6.596 -3.335 -6.643 1.00 0.00 C ATOM 918 O SER A 61 -5.792 -4.262 -6.548 1.00 0.00 O ATOM 919 CB SER A 61 -8.110 -3.801 -8.580 1.00 0.00 C ATOM 920 OG SER A 61 -8.932 -4.329 -7.553 1.00 0.00 O ATOM 0 H SER A 61 -5.711 -3.570 -9.436 1.00 0.00 H new ATOM 0 HA SER A 61 -7.512 -1.857 -7.886 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.727 -3.278 -9.311 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.613 -4.615 -9.107 1.00 0.00 H new ATOM 0 HG SER A 61 -9.593 -4.937 -7.944 1.00 0.00 H new ATOM 926 N MET A 62 -7.106 -2.708 -5.588 1.00 0.00 N ATOM 927 CA MET A 62 -6.742 -3.083 -4.227 1.00 0.00 C ATOM 928 C MET A 62 -6.990 -4.569 -3.988 1.00 0.00 C ATOM 929 O MET A 62 -6.287 -5.207 -3.204 1.00 0.00 O ATOM 930 CB MET A 62 -7.536 -2.253 -3.217 1.00 0.00 C ATOM 931 CG MET A 62 -6.792 -2.007 -1.914 1.00 0.00 C ATOM 932 SD MET A 62 -6.948 -3.379 -0.755 1.00 0.00 S ATOM 933 CE MET A 62 -5.932 -2.795 0.599 1.00 0.00 C ATOM 0 H MET A 62 -7.772 -1.938 -5.650 1.00 0.00 H new ATOM 0 HA MET A 62 -5.679 -2.884 -4.094 1.00 0.00 H new ATOM 0 HB2 MET A 62 -7.790 -1.294 -3.667 1.00 0.00 H new ATOM 0 HB3 MET A 62 -8.475 -2.762 -2.999 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.737 -1.837 -2.129 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.173 -1.098 -1.448 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.023 -3.394 0.656 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.669 -1.750 0.432 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.485 -2.885 1.534 1.00 0.00 H new ATOM 943 N ARG A 63 -7.993 -5.114 -4.669 1.00 0.00 N ATOM 944 CA ARG A 63 -8.334 -6.525 -4.529 1.00 0.00 C ATOM 945 C ARG A 63 -7.352 -7.401 -5.302 1.00 0.00 C ATOM 946 O ARG A 63 -6.839 -8.388 -4.776 1.00 0.00 O ATOM 947 CB ARG A 63 -9.759 -6.779 -5.023 1.00 0.00 C ATOM 948 CG ARG A 63 -10.766 -5.751 -4.533 1.00 0.00 C ATOM 949 CD ARG A 63 -11.024 -5.891 -3.041 1.00 0.00 C ATOM 950 NE ARG A 63 -11.723 -7.133 -2.721 1.00 0.00 N ATOM 951 CZ ARG A 63 -12.359 -7.344 -1.574 1.00 0.00 C ATOM 952 NH1 ARG A 63 -12.384 -6.400 -0.643 1.00 0.00 N ATOM 953 NH2 ARG A 63 -12.972 -8.500 -1.357 1.00 0.00 N ATOM 0 H ARG A 63 -8.584 -4.600 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.272 -6.785 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.761 -6.786 -6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.076 -7.770 -4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.397 -4.748 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.703 -5.869 -5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.076 -5.860 -2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.614 -5.043 -2.694 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.723 -7.879 -3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.914 -5.510 -0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.873 -6.564 0.237 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.955 -9.228 -2.071 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.460 -8.661 -0.476 1.00 0.00 H new ATOM 967 N GLN A 64 -7.097 -7.032 -6.553 1.00 0.00 N ATOM 968 CA GLN A 64 -6.178 -7.785 -7.399 1.00 0.00 C ATOM 969 C GLN A 64 -4.879 -8.085 -6.659 1.00 0.00 C ATOM 970 O GLN A 64 -4.336 -9.186 -6.761 1.00 0.00 O ATOM 971 CB GLN A 64 -5.880 -7.007 -8.682 1.00 0.00 C ATOM 972 CG GLN A 64 -5.550 -7.897 -9.870 1.00 0.00 C ATOM 973 CD GLN A 64 -5.800 -7.213 -11.199 1.00 0.00 C ATOM 974 OE1 GLN A 64 -6.849 -7.396 -11.817 1.00 0.00 O ATOM 975 NE2 GLN A 64 -4.835 -6.418 -11.647 1.00 0.00 N ATOM 0 H GLN A 64 -7.513 -6.217 -7.003 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.654 -8.731 -7.658 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.742 -6.388 -8.930 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.044 -6.331 -8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.505 -8.200 -9.813 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.149 -8.806 -9.815 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.982 -6.295 -11.102 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.947 -5.930 -12.536 1.00 0.00 H new ATOM 984 N ILE A 65 -4.387 -7.101 -5.915 1.00 0.00 N ATOM 985 CA ILE A 65 -3.152 -7.261 -5.157 1.00 0.00 C ATOM 986 C ILE A 65 -3.442 -7.607 -3.700 1.00 0.00 C ATOM 987 O ILE A 65 -4.519 -7.310 -3.183 1.00 0.00 O ATOM 988 CB ILE A 65 -2.291 -5.985 -5.208 1.00 0.00 C ATOM 989 CG1 ILE A 65 -3.031 -4.818 -4.553 1.00 0.00 C ATOM 990 CG2 ILE A 65 -1.927 -5.649 -6.647 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.133 -3.651 -4.207 1.00 0.00 C ATOM 0 H ILE A 65 -4.824 -6.184 -5.821 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.601 -8.080 -5.620 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.370 -6.163 -4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.817 -4.474 -5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.519 -5.172 -3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.319 -4.745 -6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.364 -6.475 -7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.837 -5.486 -7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.725 -2.860 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.362 -3.980 -3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.664 -3.271 -5.115 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.473 -8.236 -3.043 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.623 -8.622 -1.646 1.00 0.00 C ATOM 1005 C ARG A 66 -1.419 -8.171 -0.824 1.00 0.00 C ATOM 1006 O ARG A 66 -0.304 -8.079 -1.337 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.794 -10.138 -1.529 1.00 0.00 C ATOM 1008 CG ARG A 66 -2.368 -10.697 -0.181 1.00 0.00 C ATOM 1009 CD ARG A 66 -3.363 -10.339 0.911 1.00 0.00 C ATOM 1010 NE ARG A 66 -4.407 -11.350 1.053 1.00 0.00 N ATOM 1011 CZ ARG A 66 -5.195 -11.448 2.118 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -5.059 -10.600 3.128 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -6.123 -12.395 2.174 1.00 0.00 N ATOM 0 H ARG A 66 -1.575 -8.489 -3.456 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.513 -8.131 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.840 -10.392 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.213 -10.622 -2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.275 -11.781 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.384 -10.308 0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.836 -10.226 1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.820 -9.376 0.684 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.538 -12.017 0.293 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.348 -9.870 3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.666 -10.678 3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.232 -13.049 1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.727 -12.469 2.992 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.653 -7.890 0.454 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.589 -7.446 1.346 1.00 0.00 C ATOM 1029 C PHE A 67 -0.359 -8.459 2.464 1.00 0.00 C ATOM 1030 O PHE A 67 -1.294 -9.115 2.923 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.931 -6.080 1.943 1.00 0.00 C ATOM 1032 CG PHE A 67 -1.045 -4.989 0.917 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.226 -4.798 0.217 1.00 0.00 C ATOM 1034 CD2 PHE A 67 0.028 -4.154 0.651 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.334 -3.796 -0.728 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.073 -3.150 -0.293 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.256 -2.970 -0.983 1.00 0.00 C ATOM 0 H PHE A 67 -2.570 -7.962 0.895 1.00 0.00 H new ATOM 0 HA PHE A 67 0.328 -7.360 0.763 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.872 -6.156 2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.164 -5.807 2.668 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.072 -5.440 0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.955 -4.289 1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.260 -3.658 -1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.772 -2.507 -0.491 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.338 -2.185 -1.720 1.00 0.00 H new ATOM 1047 N ARG A 68 0.892 -8.580 2.897 1.00 0.00 N ATOM 1048 CA ARG A 68 1.245 -9.514 3.960 1.00 0.00 C ATOM 1049 C ARG A 68 2.489 -9.041 4.707 1.00 0.00 C ATOM 1050 O ARG A 68 3.428 -8.521 4.104 1.00 0.00 O ATOM 1051 CB ARG A 68 1.484 -10.910 3.382 1.00 0.00 C ATOM 1052 CG ARG A 68 2.684 -10.987 2.452 1.00 0.00 C ATOM 1053 CD ARG A 68 3.279 -12.386 2.425 1.00 0.00 C ATOM 1054 NE ARG A 68 3.886 -12.698 1.134 1.00 0.00 N ATOM 1055 CZ ARG A 68 4.393 -13.887 0.829 1.00 0.00 C ATOM 1056 NH1 ARG A 68 4.367 -14.871 1.717 1.00 0.00 N ATOM 1057 NH2 ARG A 68 4.928 -14.094 -0.368 1.00 0.00 N ATOM 0 H ARG A 68 1.677 -8.043 2.528 1.00 0.00 H new ATOM 0 HA ARG A 68 0.414 -9.557 4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.625 -11.614 4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.593 -11.227 2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.384 -10.699 1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.442 -10.274 2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.030 -12.476 3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.500 -13.116 2.645 1.00 0.00 H new ATOM 0 HE ARG A 68 3.923 -11.963 0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.957 -14.716 2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.757 -15.783 1.479 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.950 -13.340 -1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.317 -15.007 -0.602 1.00 0.00 H new ATOM 1071 N PHE A 69 2.487 -9.224 6.023 1.00 0.00 N ATOM 1072 CA PHE A 69 3.614 -8.815 6.854 1.00 0.00 C ATOM 1073 C PHE A 69 4.113 -9.979 7.705 1.00 0.00 C ATOM 1074 O PHE A 69 3.328 -10.660 8.366 1.00 0.00 O ATOM 1075 CB PHE A 69 3.213 -7.645 7.754 1.00 0.00 C ATOM 1076 CG PHE A 69 4.209 -7.356 8.840 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.307 -6.547 8.594 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.047 -7.893 10.107 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.225 -6.279 9.592 1.00 0.00 C ATOM 1080 CE2 PHE A 69 4.962 -7.628 11.109 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.053 -6.821 10.851 1.00 0.00 C ATOM 0 H PHE A 69 1.718 -9.653 6.537 1.00 0.00 H new ATOM 0 HA PHE A 69 4.422 -8.497 6.196 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.086 -6.752 7.141 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.245 -7.861 8.207 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.447 -6.121 7.611 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.197 -8.526 10.314 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.076 -5.646 9.388 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.824 -8.052 12.093 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.770 -6.614 11.632 1.00 0.00 H new ATOM 1091 N ASP A 70 5.422 -10.201 7.684 1.00 0.00 N ATOM 1092 CA ASP A 70 6.027 -11.282 8.454 1.00 0.00 C ATOM 1093 C ASP A 70 5.518 -12.639 7.979 1.00 0.00 C ATOM 1094 O ASP A 70 5.382 -13.573 8.768 1.00 0.00 O ATOM 1095 CB ASP A 70 5.729 -11.104 9.944 1.00 0.00 C ATOM 1096 CG ASP A 70 6.765 -11.772 10.826 1.00 0.00 C ATOM 1097 OD1 ASP A 70 6.828 -13.019 10.826 1.00 0.00 O ATOM 1098 OD2 ASP A 70 7.512 -11.048 11.517 1.00 0.00 O ATOM 0 H ASP A 70 6.085 -9.647 7.142 1.00 0.00 H new ATOM 0 HA ASP A 70 7.105 -11.245 8.300 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.688 -10.040 10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.745 -11.518 10.167 1.00 0.00 H new ATOM 1103 N GLY A 71 5.236 -12.739 6.683 1.00 0.00 N ATOM 1104 CA GLY A 71 4.744 -13.985 6.126 1.00 0.00 C ATOM 1105 C GLY A 71 3.300 -14.256 6.497 1.00 0.00 C ATOM 1106 O GLY A 71 2.883 -15.410 6.593 1.00 0.00 O ATOM 0 H GLY A 71 5.340 -11.980 6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.838 -13.956 5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.367 -14.808 6.478 1.00 0.00 H new ATOM 1110 N GLN A 72 2.535 -13.190 6.709 1.00 0.00 N ATOM 1111 CA GLN A 72 1.129 -13.319 7.075 1.00 0.00 C ATOM 1112 C GLN A 72 0.287 -12.249 6.387 1.00 0.00 C ATOM 1113 O GLN A 72 0.734 -11.125 6.158 1.00 0.00 O ATOM 1114 CB GLN A 72 0.964 -13.218 8.592 1.00 0.00 C ATOM 1115 CG GLN A 72 1.835 -14.195 9.365 1.00 0.00 C ATOM 1116 CD GLN A 72 1.586 -14.142 10.859 1.00 0.00 C ATOM 1117 OE1 GLN A 72 1.369 -13.071 11.427 1.00 0.00 O ATOM 1118 NE2 GLN A 72 1.616 -15.302 11.506 1.00 0.00 N ATOM 0 H GLN A 72 2.865 -12.228 6.634 1.00 0.00 H new ATOM 0 HA GLN A 72 0.781 -14.297 6.743 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.203 -12.203 8.908 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.081 -13.394 8.848 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.648 -15.207 9.005 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.884 -13.976 9.167 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.799 -16.166 10.996 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.456 -15.329 12.513 1.00 0.00 H new ATOM 1127 N PRO A 73 -0.962 -12.605 6.050 1.00 0.00 N ATOM 1128 CA PRO A 73 -1.893 -11.689 5.384 1.00 0.00 C ATOM 1129 C PRO A 73 -2.356 -10.564 6.303 1.00 0.00 C ATOM 1130 O PRO A 73 -3.077 -10.800 7.273 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.070 -12.592 5.008 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.018 -13.712 5.989 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.561 -13.928 6.293 1.00 0.00 C ATOM 0 HA PRO A 73 -1.433 -11.188 4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.016 -12.055 5.070 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.978 -12.957 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.573 -13.464 6.894 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.468 -14.614 5.576 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.409 -14.255 7.322 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.125 -14.691 5.648 1.00 0.00 H new ATOM 1141 N ILE A 74 -1.939 -9.342 5.991 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.314 -8.181 6.789 1.00 0.00 C ATOM 1143 C ILE A 74 -3.556 -7.502 6.222 1.00 0.00 C ATOM 1144 O ILE A 74 -3.786 -7.516 5.013 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.168 -7.154 6.860 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.553 -6.946 5.475 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.110 -7.609 7.854 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.072 -5.581 5.290 1.00 0.00 C ATOM 0 H ILE A 74 -1.342 -9.130 5.192 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.529 -8.544 7.794 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.574 -6.202 7.202 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.206 -7.710 5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.325 -7.089 4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.693 -6.873 7.893 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.559 -7.709 8.842 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.295 -8.571 7.540 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.488 -5.504 4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.687 -4.811 5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.867 -5.442 6.023 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.352 -6.906 7.103 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.571 -6.219 6.690 1.00 0.00 C ATOM 1162 C ASN A 75 -5.465 -4.720 6.950 1.00 0.00 C ATOM 1163 O ASN A 75 -4.858 -4.291 7.931 1.00 0.00 O ATOM 1164 CB ASN A 75 -6.780 -6.793 7.432 1.00 0.00 C ATOM 1165 CG ASN A 75 -6.899 -8.296 7.270 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -7.033 -9.028 8.250 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -6.848 -8.762 6.028 1.00 0.00 N ATOM 0 H ASN A 75 -4.175 -6.885 8.107 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.702 -6.375 5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.701 -6.550 8.492 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.689 -6.318 7.063 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.921 -9.765 5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.736 -8.117 5.246 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.061 -3.928 6.064 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.033 -2.476 6.198 1.00 0.00 C ATOM 1176 C GLU A 76 -6.444 -2.051 7.605 1.00 0.00 C ATOM 1177 O GLU A 76 -5.829 -1.169 8.205 1.00 0.00 O ATOM 1178 CB GLU A 76 -6.960 -1.829 5.167 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.352 -2.437 5.133 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.247 -1.790 4.093 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -8.746 -1.471 2.995 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -10.448 -1.603 4.378 1.00 0.00 O ATOM 0 H GLU A 76 -6.569 -4.267 5.247 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.012 -2.140 6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.043 -0.764 5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.509 -1.919 4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.273 -3.504 4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.812 -2.337 6.116 1.00 0.00 H new ATOM 1189 N THR A 77 -7.490 -2.686 8.127 1.00 0.00 N ATOM 1190 CA THR A 77 -7.985 -2.374 9.461 1.00 0.00 C ATOM 1191 C THR A 77 -6.860 -2.418 10.489 1.00 0.00 C ATOM 1192 O THR A 77 -6.708 -1.502 11.297 1.00 0.00 O ATOM 1193 CB THR A 77 -9.096 -3.350 9.891 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.609 -4.696 9.849 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.312 -3.217 8.986 1.00 0.00 C ATOM 0 H THR A 77 -8.010 -3.419 7.645 1.00 0.00 H new ATOM 0 HA THR A 77 -8.395 -1.365 9.418 1.00 0.00 H new ATOM 0 HB THR A 77 -9.392 -3.103 10.911 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.321 -5.310 10.125 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.084 -3.916 9.309 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.698 -2.199 9.042 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.027 -3.441 7.958 1.00 0.00 H new ATOM 1203 N ASP A 78 -6.074 -3.488 10.453 1.00 0.00 N ATOM 1204 CA ASP A 78 -4.961 -3.651 11.381 1.00 0.00 C ATOM 1205 C ASP A 78 -3.996 -2.474 11.284 1.00 0.00 C ATOM 1206 O ASP A 78 -3.934 -1.789 10.262 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.220 -4.959 11.098 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.892 -6.156 11.740 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.598 -5.967 12.753 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.712 -7.282 11.231 1.00 0.00 O ATOM 0 H ASP A 78 -6.187 -4.256 9.791 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.366 -3.684 12.393 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.161 -5.114 10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.197 -4.880 11.465 1.00 0.00 H new ATOM 1215 N THR A 79 -3.243 -2.242 12.355 1.00 0.00 N ATOM 1216 CA THR A 79 -2.283 -1.146 12.392 1.00 0.00 C ATOM 1217 C THR A 79 -0.851 -1.670 12.385 1.00 0.00 C ATOM 1218 O THR A 79 -0.582 -2.816 12.744 1.00 0.00 O ATOM 1219 CB THR A 79 -2.488 -0.261 13.636 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.993 -1.049 14.720 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.452 0.877 13.337 1.00 0.00 C ATOM 0 H THR A 79 -3.280 -2.799 13.209 1.00 0.00 H new ATOM 0 HA THR A 79 -2.452 -0.547 11.498 1.00 0.00 H new ATOM 0 HB THR A 79 -1.524 0.164 13.915 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.119 -0.479 15.508 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.581 1.488 14.230 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.051 1.492 12.531 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.416 0.467 13.035 1.00 0.00 H new ATOM 1229 N PRO A 80 0.091 -0.811 11.968 1.00 0.00 N ATOM 1230 CA PRO A 80 1.512 -1.165 11.906 1.00 0.00 C ATOM 1231 C PRO A 80 2.131 -1.325 13.290 1.00 0.00 C ATOM 1232 O PRO A 80 3.257 -1.804 13.426 1.00 0.00 O ATOM 1233 CB PRO A 80 2.142 0.022 11.172 1.00 0.00 C ATOM 1234 CG PRO A 80 1.222 1.163 11.439 1.00 0.00 C ATOM 1235 CD PRO A 80 -0.158 0.571 11.526 1.00 0.00 C ATOM 0 HA PRO A 80 1.672 -2.123 11.411 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.146 0.228 11.542 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.230 -0.174 10.103 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.488 1.670 12.366 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.279 1.905 10.642 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.784 1.113 12.235 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.669 0.599 10.564 1.00 0.00 H new ATOM 1243 N ALA A 81 1.389 -0.921 14.315 1.00 0.00 N ATOM 1244 CA ALA A 81 1.864 -1.021 15.690 1.00 0.00 C ATOM 1245 C ALA A 81 1.465 -2.355 16.312 1.00 0.00 C ATOM 1246 O ALA A 81 2.152 -2.868 17.195 1.00 0.00 O ATOM 1247 CB ALA A 81 1.325 0.133 16.521 1.00 0.00 C ATOM 0 H ALA A 81 0.456 -0.521 14.220 1.00 0.00 H new ATOM 0 HA ALA A 81 2.953 -0.966 15.677 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.688 0.045 17.545 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.665 1.077 16.096 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.235 0.105 16.519 1.00 0.00 H new ATOM 1253 N GLN A 82 0.351 -2.911 15.846 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.138 -4.185 16.359 1.00 0.00 C ATOM 1255 C GLN A 82 0.784 -5.328 15.949 1.00 0.00 C ATOM 1256 O GLN A 82 0.991 -6.276 16.707 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.557 -4.451 15.853 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.330 -5.446 16.703 1.00 0.00 C ATOM 1259 CD GLN A 82 -3.824 -5.390 16.454 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -4.270 -5.236 15.317 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -4.607 -5.515 17.519 1.00 0.00 N ATOM 0 H GLN A 82 -0.229 -2.500 15.115 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.152 -4.128 17.447 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.105 -3.509 15.822 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.505 -4.823 14.830 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.969 -6.453 16.495 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.134 -5.248 17.757 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.194 -5.641 18.443 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.621 -5.485 17.413 1.00 0.00 H new ATOM 1270 N LEU A 83 1.335 -5.233 14.744 1.00 0.00 N ATOM 1271 CA LEU A 83 2.235 -6.260 14.231 1.00 0.00 C ATOM 1272 C LEU A 83 3.682 -5.948 14.600 1.00 0.00 C ATOM 1273 O LEU A 83 4.601 -6.667 14.208 1.00 0.00 O ATOM 1274 CB LEU A 83 2.098 -6.375 12.712 1.00 0.00 C ATOM 1275 CG LEU A 83 0.669 -6.415 12.169 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.644 -6.015 10.702 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.066 -7.800 12.356 1.00 0.00 C ATOM 0 H LEU A 83 1.174 -4.455 14.104 1.00 0.00 H new ATOM 0 HA LEU A 83 1.959 -7.211 14.687 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.615 -5.531 12.256 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.614 -7.279 12.388 1.00 0.00 H new ATOM 0 HG LEU A 83 0.068 -5.700 12.730 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.381 -6.049 10.333 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.035 -5.003 10.594 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.260 -6.705 10.126 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.951 -7.810 11.964 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.668 -8.534 11.821 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.048 -8.049 13.417 1.00 0.00 H new ATOM 1289 N GLU A 84 3.876 -4.874 15.358 1.00 0.00 N ATOM 1290 CA GLU A 84 5.212 -4.469 15.781 1.00 0.00 C ATOM 1291 C GLU A 84 6.085 -4.131 14.576 1.00 0.00 C ATOM 1292 O GLU A 84 7.284 -4.408 14.568 1.00 0.00 O ATOM 1293 CB GLU A 84 5.868 -5.579 16.605 1.00 0.00 C ATOM 1294 CG GLU A 84 5.113 -5.919 17.879 1.00 0.00 C ATOM 1295 CD GLU A 84 6.010 -6.510 18.949 1.00 0.00 C ATOM 1296 OE1 GLU A 84 7.179 -6.081 19.047 1.00 0.00 O ATOM 1297 OE2 GLU A 84 5.543 -7.401 19.689 1.00 0.00 O ATOM 0 H GLU A 84 3.126 -4.269 15.692 1.00 0.00 H new ATOM 0 HA GLU A 84 5.115 -3.576 16.399 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.950 -6.476 15.991 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.883 -5.276 16.864 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.637 -5.018 18.266 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.316 -6.626 17.647 1.00 0.00 H new ATOM 1304 N MET A 85 5.474 -3.532 13.560 1.00 0.00 N ATOM 1305 CA MET A 85 6.195 -3.155 12.349 1.00 0.00 C ATOM 1306 C MET A 85 7.448 -2.355 12.690 1.00 0.00 C ATOM 1307 O MET A 85 7.365 -1.190 13.077 1.00 0.00 O ATOM 1308 CB MET A 85 5.291 -2.339 11.424 1.00 0.00 C ATOM 1309 CG MET A 85 4.131 -3.136 10.850 1.00 0.00 C ATOM 1310 SD MET A 85 3.438 -2.383 9.365 1.00 0.00 S ATOM 1311 CE MET A 85 3.516 -3.758 8.220 1.00 0.00 C ATOM 0 H MET A 85 4.482 -3.297 13.550 1.00 0.00 H new ATOM 0 HA MET A 85 6.496 -4.069 11.836 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.897 -1.485 11.975 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.889 -1.941 10.604 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.469 -4.146 10.617 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.350 -3.228 11.605 1.00 0.00 H new ATOM 0 HE1 MET A 85 2.892 -3.545 7.352 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.547 -3.905 7.898 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.157 -4.662 8.712 1.00 0.00 H new ATOM 1321 N GLU A 86 8.608 -2.990 12.544 1.00 0.00 N ATOM 1322 CA GLU A 86 9.877 -2.336 12.838 1.00 0.00 C ATOM 1323 C GLU A 86 10.214 -1.296 11.773 1.00 0.00 C ATOM 1324 O GLU A 86 9.540 -1.204 10.746 1.00 0.00 O ATOM 1325 CB GLU A 86 11.001 -3.371 12.928 1.00 0.00 C ATOM 1326 CG GLU A 86 10.895 -4.279 14.142 1.00 0.00 C ATOM 1327 CD GLU A 86 10.522 -3.526 15.404 1.00 0.00 C ATOM 1328 OE1 GLU A 86 11.067 -2.424 15.621 1.00 0.00 O ATOM 1329 OE2 GLU A 86 9.684 -4.040 16.175 1.00 0.00 O ATOM 0 H GLU A 86 8.694 -3.955 12.224 1.00 0.00 H new ATOM 0 HA GLU A 86 9.780 -1.829 13.798 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.994 -3.982 12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.960 -2.853 12.955 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.149 -5.050 13.950 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.847 -4.787 14.295 1.00 0.00 H new ATOM 1336 N ASP A 87 11.258 -0.516 12.025 1.00 0.00 N ATOM 1337 CA ASP A 87 11.685 0.517 11.088 1.00 0.00 C ATOM 1338 C ASP A 87 12.274 -0.104 9.826 1.00 0.00 C ATOM 1339 O ASP A 87 12.759 -1.234 9.848 1.00 0.00 O ATOM 1340 CB ASP A 87 12.713 1.439 11.746 1.00 0.00 C ATOM 1341 CG ASP A 87 13.625 0.698 12.705 1.00 0.00 C ATOM 1342 OD1 ASP A 87 13.745 -0.538 12.575 1.00 0.00 O ATOM 1343 OD2 ASP A 87 14.218 1.355 13.586 1.00 0.00 O ATOM 0 H ASP A 87 11.825 -0.579 12.871 1.00 0.00 H new ATOM 0 HA ASP A 87 10.810 1.103 10.808 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.315 1.918 10.973 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.194 2.233 12.283 1.00 0.00 H new ATOM 1348 N GLU A 88 12.227 0.643 8.727 1.00 0.00 N ATOM 1349 CA GLU A 88 12.755 0.164 7.455 1.00 0.00 C ATOM 1350 C GLU A 88 12.343 -1.284 7.206 1.00 0.00 C ATOM 1351 O GLU A 88 13.124 -2.082 6.688 1.00 0.00 O ATOM 1352 CB GLU A 88 14.280 0.283 7.433 1.00 0.00 C ATOM 1353 CG GLU A 88 14.969 -0.520 8.524 1.00 0.00 C ATOM 1354 CD GLU A 88 16.477 -0.548 8.364 1.00 0.00 C ATOM 1355 OE1 GLU A 88 17.086 0.539 8.285 1.00 0.00 O ATOM 1356 OE2 GLU A 88 17.047 -1.659 8.317 1.00 0.00 O ATOM 0 H GLU A 88 11.829 1.581 8.692 1.00 0.00 H new ATOM 0 HA GLU A 88 12.338 0.784 6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.648 -0.049 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.556 1.332 7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.718 -0.095 9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.587 -1.541 8.514 1.00 0.00 H new ATOM 1363 N ASP A 89 11.112 -1.615 7.579 1.00 0.00 N ATOM 1364 CA ASP A 89 10.594 -2.966 7.396 1.00 0.00 C ATOM 1365 C ASP A 89 10.456 -3.299 5.914 1.00 0.00 C ATOM 1366 O ASP A 89 10.845 -2.512 5.050 1.00 0.00 O ATOM 1367 CB ASP A 89 9.242 -3.116 8.094 1.00 0.00 C ATOM 1368 CG ASP A 89 8.951 -4.549 8.492 1.00 0.00 C ATOM 1369 OD1 ASP A 89 8.393 -5.294 7.660 1.00 0.00 O ATOM 1370 OD2 ASP A 89 9.282 -4.926 9.636 1.00 0.00 O ATOM 0 H ASP A 89 10.454 -0.966 8.010 1.00 0.00 H new ATOM 0 HA ASP A 89 11.303 -3.664 7.842 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.223 -2.485 8.982 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.453 -2.759 7.432 1.00 0.00 H new ATOM 1375 N THR A 90 9.900 -4.471 5.625 1.00 0.00 N ATOM 1376 CA THR A 90 9.712 -4.910 4.248 1.00 0.00 C ATOM 1377 C THR A 90 8.387 -5.644 4.081 1.00 0.00 C ATOM 1378 O THR A 90 8.157 -6.679 4.706 1.00 0.00 O ATOM 1379 CB THR A 90 10.858 -5.832 3.791 1.00 0.00 C ATOM 1380 OG1 THR A 90 12.114 -5.160 3.933 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.666 -6.257 2.343 1.00 0.00 C ATOM 0 H THR A 90 9.572 -5.134 6.327 1.00 0.00 H new ATOM 0 HA THR A 90 9.708 -4.013 3.628 1.00 0.00 H new ATOM 0 HB THR A 90 10.850 -6.723 4.419 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.837 -5.754 3.642 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.487 -6.907 2.043 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.723 -6.794 2.243 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.650 -5.374 1.704 1.00 0.00 H new ATOM 1389 N ILE A 91 7.518 -5.101 3.233 1.00 0.00 N ATOM 1390 CA ILE A 91 6.216 -5.706 2.983 1.00 0.00 C ATOM 1391 C ILE A 91 6.234 -6.541 1.707 1.00 0.00 C ATOM 1392 O ILE A 91 6.940 -6.218 0.752 1.00 0.00 O ATOM 1393 CB ILE A 91 5.112 -4.639 2.870 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.276 -3.585 3.967 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.738 -5.288 2.953 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.089 -2.656 4.095 1.00 0.00 C ATOM 0 H ILE A 91 7.693 -4.244 2.708 1.00 0.00 H new ATOM 0 HA ILE A 91 5.999 -6.352 3.834 1.00 0.00 H new ATOM 0 HB ILE A 91 5.202 -4.146 1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.438 -4.087 4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.169 -2.994 3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.968 -4.521 2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.624 -6.004 2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.637 -5.804 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.275 -1.936 4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.938 -2.126 3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.197 -3.236 4.332 1.00 0.00 H new ATOM 1408 N ASP A 92 5.451 -7.614 1.698 1.00 0.00 N ATOM 1409 CA ASP A 92 5.374 -8.494 0.537 1.00 0.00 C ATOM 1410 C ASP A 92 4.031 -8.345 -0.170 1.00 0.00 C ATOM 1411 O ASP A 92 2.976 -8.571 0.425 1.00 0.00 O ATOM 1412 CB ASP A 92 5.584 -9.949 0.959 1.00 0.00 C ATOM 1413 CG ASP A 92 6.237 -10.779 -0.129 1.00 0.00 C ATOM 1414 OD1 ASP A 92 5.584 -11.016 -1.166 1.00 0.00 O ATOM 1415 OD2 ASP A 92 7.401 -11.193 0.058 1.00 0.00 O ATOM 0 H ASP A 92 4.861 -7.896 2.481 1.00 0.00 H new ATOM 0 HA ASP A 92 6.163 -8.208 -0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 92 6.203 -9.978 1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.623 -10.391 1.221 1.00 0.00 H new ATOM 1420 N VAL A 93 4.076 -7.964 -1.442 1.00 0.00 N ATOM 1421 CA VAL A 93 2.863 -7.784 -2.230 1.00 0.00 C ATOM 1422 C VAL A 93 2.979 -8.476 -3.584 1.00 0.00 C ATOM 1423 O VAL A 93 4.081 -8.703 -4.084 1.00 0.00 O ATOM 1424 CB VAL A 93 2.554 -6.292 -2.454 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.327 -6.127 -3.338 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.361 -5.583 -1.122 1.00 0.00 C ATOM 0 H VAL A 93 4.940 -7.774 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 93 2.049 -8.235 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 93 3.403 -5.835 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.124 -5.066 -3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.508 -6.599 -4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.468 -6.598 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.143 -4.530 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.531 -6.040 -0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.271 -5.671 -0.528 1.00 0.00 H new ATOM 1436 N PHE A 94 1.835 -8.809 -4.172 1.00 0.00 N ATOM 1437 CA PHE A 94 1.809 -9.476 -5.469 1.00 0.00 C ATOM 1438 C PHE A 94 1.178 -8.578 -6.530 1.00 0.00 C ATOM 1439 O PHE A 94 -0.028 -8.332 -6.512 1.00 0.00 O ATOM 1440 CB PHE A 94 1.035 -10.792 -5.373 1.00 0.00 C ATOM 1441 CG PHE A 94 1.409 -11.623 -4.179 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.080 -11.207 -2.899 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.091 -12.819 -4.336 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.424 -11.969 -1.798 1.00 0.00 C ATOM 1445 CE2 PHE A 94 2.438 -13.585 -3.239 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.103 -13.160 -1.969 1.00 0.00 C ATOM 0 H PHE A 94 0.914 -8.628 -3.772 1.00 0.00 H new ATOM 0 HA PHE A 94 2.837 -9.687 -5.762 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.032 -10.574 -5.334 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.209 -11.373 -6.279 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.549 -10.277 -2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.355 -13.157 -5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.162 -11.634 -0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 94 2.970 -14.515 -3.375 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.371 -13.758 -1.110 1.00 0.00 H new ATOM 1456 N GLN A 95 2.003 -8.092 -7.451 1.00 0.00 N ATOM 1457 CA GLN A 95 1.527 -7.220 -8.519 1.00 0.00 C ATOM 1458 C GLN A 95 1.162 -8.029 -9.759 1.00 0.00 C ATOM 1459 O GLN A 95 2.038 -8.479 -10.497 1.00 0.00 O ATOM 1460 CB GLN A 95 2.591 -6.179 -8.869 1.00 0.00 C ATOM 1461 CG GLN A 95 2.519 -4.924 -8.013 1.00 0.00 C ATOM 1462 CD GLN A 95 3.088 -3.707 -8.714 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.194 -3.675 -9.941 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.458 -2.695 -7.938 1.00 0.00 N ATOM 0 H GLN A 95 3.004 -8.287 -7.480 1.00 0.00 H new ATOM 0 HA GLN A 95 0.632 -6.708 -8.165 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.578 -6.629 -8.758 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.484 -5.900 -9.917 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.480 -4.731 -7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.063 -5.091 -7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.353 -2.764 -6.926 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.847 -1.849 -8.354 1.00 0.00 H new