USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.26) USER MOD Set 1.2: A 112 GLN : amide:sc= 0 X(o=-0.23,f=-0.26) USER MOD Single : A 21 LYS NZ :NH3+ -150:sc= -0.146 (180deg=-0.718) USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0714) USER MOD Single : A 28 CYS SG : rot 180:sc= -2.25! USER MOD Single : A 34 THR OG1 : rot 13:sc= 0.632 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -169:sc= -0.0432 (180deg=-0.346) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 169:sc= -2.71! USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 69:sc= 1.1 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 58 CYS SG : rot 38:sc= -0.762 USER MOD Single : A 61 ASN : amide:sc= -0.252 K(o=-0.25,f=-2.5!) USER MOD Single : A 65 THR OG1 : rot 108:sc= 0.217 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -120:sc= -3.47! (180deg=-7.08!) USER MOD Single : A 71 HIS : no HD1:sc= -0.317 K(o=-0.32,f=-1.1) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 58:sc= 0.942 USER MOD Single : A 90 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-0.81) USER MOD Single : A 92 MET CE :methyl -170:sc= -0.969 (180deg=-1.47) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.3) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 66:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 317 N LYS A 21 3.536 -1.261 -3.150 1.00 0.00 N ATOM 318 CA LYS A 21 3.516 -1.420 -1.705 1.00 0.00 C ATOM 319 C LYS A 21 2.139 -1.872 -1.234 1.00 0.00 C ATOM 320 O LYS A 21 1.980 -2.976 -0.712 1.00 0.00 O ATOM 321 CB LYS A 21 3.897 -0.106 -1.021 1.00 0.00 C ATOM 322 CG LYS A 21 5.306 -0.103 -0.449 1.00 0.00 C ATOM 323 CD LYS A 21 5.298 0.067 1.062 1.00 0.00 C ATOM 324 CE LYS A 21 6.359 -0.797 1.725 1.00 0.00 C ATOM 325 NZ LYS A 21 6.131 -2.248 1.477 1.00 0.00 N ATOM 0 HA LYS A 21 4.245 -2.184 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.804 0.708 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.188 0.095 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.806 -1.036 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.882 0.704 -0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.471 1.114 1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.316 -0.196 1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.343 -0.515 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.361 -0.609 2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.495 -2.799 2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.112 -2.426 1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.627 -2.534 0.609 1.00 0.00 H new ATOM 339 N ARG A 22 1.146 -1.003 -1.411 1.00 0.00 N ATOM 340 CA ARG A 22 -0.217 -1.303 -0.995 1.00 0.00 C ATOM 341 C ARG A 22 -1.214 -1.033 -2.121 1.00 0.00 C ATOM 342 O ARG A 22 -0.965 -0.209 -3.003 1.00 0.00 O ATOM 343 CB ARG A 22 -0.581 -0.458 0.226 1.00 0.00 C ATOM 344 CG ARG A 22 0.493 -0.445 1.304 1.00 0.00 C ATOM 345 CD ARG A 22 0.948 0.970 1.625 1.00 0.00 C ATOM 346 NE ARG A 22 0.638 1.344 3.003 1.00 0.00 N ATOM 347 CZ ARG A 22 1.492 1.229 4.018 1.00 0.00 C ATOM 348 NH1 ARG A 22 2.714 0.746 3.824 1.00 0.00 N ATOM 349 NH2 ARG A 22 1.118 1.596 5.237 1.00 0.00 N ATOM 0 H ARG A 22 1.263 -0.085 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.268 -2.362 -0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.772 0.566 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.509 -0.836 0.655 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.108 -0.918 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.347 -1.036 0.974 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.022 1.052 1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.466 1.670 0.942 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.291 1.717 3.200 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.007 0.459 2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.360 0.662 4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.180 1.964 5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.769 1.510 6.018 1.00 0.00 H new ATOM 363 N LYS A 23 -2.350 -1.726 -2.078 1.00 0.00 N ATOM 364 CA LYS A 23 -3.389 -1.554 -3.084 1.00 0.00 C ATOM 365 C LYS A 23 -4.760 -1.416 -2.427 1.00 0.00 C ATOM 366 O LYS A 23 -5.186 -2.279 -1.657 1.00 0.00 O ATOM 367 CB LYS A 23 -3.383 -2.733 -4.061 1.00 0.00 C ATOM 368 CG LYS A 23 -2.916 -2.352 -5.456 1.00 0.00 C ATOM 369 CD LYS A 23 -2.782 -3.569 -6.361 1.00 0.00 C ATOM 370 CE LYS A 23 -3.684 -3.459 -7.582 1.00 0.00 C ATOM 371 NZ LYS A 23 -2.989 -2.826 -8.740 1.00 0.00 N ATOM 0 H LYS A 23 -2.572 -2.411 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.182 -0.639 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.735 -3.518 -3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.388 -3.151 -4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.623 -1.648 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.956 -1.841 -5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.745 -3.673 -6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.034 -4.470 -5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.030 -4.453 -7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.568 -2.875 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.695 -2.449 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.384 -2.051 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.403 -3.536 -9.223 1.00 0.00 H new ATOM 385 N ILE A 24 -5.443 -0.316 -2.728 1.00 0.00 N ATOM 386 CA ILE A 24 -6.761 -0.053 -2.162 1.00 0.00 C ATOM 387 C ILE A 24 -7.852 -0.210 -3.213 1.00 0.00 C ATOM 388 O ILE A 24 -7.589 -0.090 -4.410 1.00 0.00 O ATOM 389 CB ILE A 24 -6.848 1.373 -1.576 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.525 1.776 -0.923 1.00 0.00 C ATOM 391 CG2 ILE A 24 -7.983 1.471 -0.569 1.00 0.00 C ATOM 392 CD1 ILE A 24 -5.522 3.193 -0.393 1.00 0.00 C ATOM 0 H ILE A 24 -5.105 0.408 -3.362 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.910 -0.782 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.050 2.061 -2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.309 1.090 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.721 1.667 -1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.027 2.484 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.927 1.234 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.810 0.766 0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.553 3.411 0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.707 3.888 -1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.304 3.302 0.359 1.00 0.00 H new ATOM 404 N ILE A 25 -9.084 -0.456 -2.769 1.00 0.00 N ATOM 405 CA ILE A 25 -10.203 -0.594 -3.687 1.00 0.00 C ATOM 406 C ILE A 25 -11.322 0.368 -3.320 1.00 0.00 C ATOM 407 O ILE A 25 -11.563 0.635 -2.143 1.00 0.00 O ATOM 408 CB ILE A 25 -10.793 -2.015 -3.744 1.00 0.00 C ATOM 409 CG1 ILE A 25 -9.680 -3.084 -3.795 1.00 0.00 C ATOM 410 CG2 ILE A 25 -11.727 -2.098 -4.947 1.00 0.00 C ATOM 411 CD1 ILE A 25 -10.028 -4.329 -4.599 1.00 0.00 C ATOM 0 H ILE A 25 -9.327 -0.563 -1.784 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.792 -0.364 -4.670 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.362 -2.219 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.782 -2.634 -4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.436 -3.383 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.156 -3.098 -5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.527 -1.366 -4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.166 -1.890 -5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.187 -5.022 -4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.905 -4.809 -4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.241 -4.048 -5.630 1.00 0.00 H new ATOM 423 N VAL A 26 -12.017 0.871 -4.333 1.00 0.00 N ATOM 424 CA VAL A 26 -13.128 1.792 -4.114 1.00 0.00 C ATOM 425 C VAL A 26 -14.425 1.237 -4.694 1.00 0.00 C ATOM 426 O VAL A 26 -14.514 0.991 -5.896 1.00 0.00 O ATOM 427 CB VAL A 26 -12.846 3.162 -4.757 1.00 0.00 C ATOM 428 CG1 VAL A 26 -13.943 4.160 -4.413 1.00 0.00 C ATOM 429 CG2 VAL A 26 -11.485 3.680 -4.324 1.00 0.00 C ATOM 0 H VAL A 26 -11.832 0.658 -5.313 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.235 1.911 -3.036 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.837 3.038 -5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.721 5.120 -4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.900 3.790 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.995 4.285 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.300 4.649 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.464 3.786 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.712 2.977 -4.634 1.00 0.00 H new ATOM 439 N ALA A 27 -15.433 1.043 -3.843 1.00 0.00 N ATOM 440 CA ALA A 27 -16.713 0.522 -4.305 1.00 0.00 C ATOM 441 C ALA A 27 -17.846 1.514 -4.067 1.00 0.00 C ATOM 442 O ALA A 27 -18.091 1.942 -2.939 1.00 0.00 O ATOM 443 CB ALA A 27 -17.024 -0.802 -3.622 1.00 0.00 C ATOM 0 H ALA A 27 -15.387 1.237 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.632 0.361 -5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.983 -1.178 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.242 -1.524 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.070 -0.653 -2.543 1.00 0.00 H new ATOM 449 N CYS A 28 -18.529 1.881 -5.147 1.00 0.00 N ATOM 450 CA CYS A 28 -19.635 2.828 -5.069 1.00 0.00 C ATOM 451 C CYS A 28 -20.664 2.559 -6.161 1.00 0.00 C ATOM 452 O CYS A 28 -21.844 2.353 -5.880 1.00 0.00 O ATOM 453 CB CYS A 28 -19.117 4.265 -5.185 1.00 0.00 C ATOM 454 SG CYS A 28 -20.011 5.458 -4.164 1.00 0.00 S ATOM 0 H CYS A 28 -18.335 1.536 -6.087 1.00 0.00 H new ATOM 0 HA CYS A 28 -20.118 2.700 -4.100 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.063 4.283 -4.907 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -19.177 4.578 -6.227 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.498 6.641 -4.329 1.00 0.00 H new ATOM 510 N THR A 34 -19.273 11.799 -7.070 1.00 0.00 N ATOM 511 CA THR A 34 -18.754 11.242 -5.831 1.00 0.00 C ATOM 512 C THR A 34 -17.487 10.433 -6.088 1.00 0.00 C ATOM 513 O THR A 34 -16.481 10.597 -5.397 1.00 0.00 O ATOM 514 CB THR A 34 -19.813 10.362 -5.174 1.00 0.00 C ATOM 515 OG1 THR A 34 -21.114 10.819 -5.501 1.00 0.00 O ATOM 516 CG2 THR A 34 -19.702 10.330 -3.670 1.00 0.00 C ATOM 0 HA THR A 34 -18.504 12.065 -5.161 1.00 0.00 H new ATOM 0 HB THR A 34 -19.641 9.357 -5.558 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.059 11.464 -6.237 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.482 9.688 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.725 9.940 -3.386 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.819 11.339 -3.275 1.00 0.00 H new ATOM 524 N SER A 35 -17.542 9.562 -7.087 1.00 0.00 N ATOM 525 CA SER A 35 -16.400 8.729 -7.437 1.00 0.00 C ATOM 526 C SER A 35 -15.214 9.589 -7.868 1.00 0.00 C ATOM 527 O SER A 35 -14.114 9.460 -7.330 1.00 0.00 O ATOM 528 CB SER A 35 -16.778 7.759 -8.559 1.00 0.00 C ATOM 529 OG SER A 35 -16.094 6.527 -8.422 1.00 0.00 O ATOM 0 H SER A 35 -18.366 9.414 -7.669 1.00 0.00 H new ATOM 0 HA SER A 35 -16.110 8.158 -6.555 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.854 7.584 -8.545 1.00 0.00 H new ATOM 0 HB3 SER A 35 -16.540 8.205 -9.525 1.00 0.00 H new ATOM 0 HG SER A 35 -16.355 5.925 -9.150 1.00 0.00 H new ATOM 535 N THR A 36 -15.445 10.465 -8.841 1.00 0.00 N ATOM 536 CA THR A 36 -14.393 11.344 -9.346 1.00 0.00 C ATOM 537 C THR A 36 -13.776 12.171 -8.222 1.00 0.00 C ATOM 538 O THR A 36 -12.611 12.560 -8.297 1.00 0.00 O ATOM 539 CB THR A 36 -14.946 12.274 -10.429 1.00 0.00 C ATOM 540 OG1 THR A 36 -16.089 12.967 -9.962 1.00 0.00 O ATOM 541 CG2 THR A 36 -15.336 11.549 -11.698 1.00 0.00 C ATOM 0 H THR A 36 -16.350 10.586 -9.296 1.00 0.00 H new ATOM 0 HA THR A 36 -13.615 10.714 -9.777 1.00 0.00 H new ATOM 0 HB THR A 36 -14.133 12.964 -10.658 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.425 13.557 -10.669 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.720 12.266 -12.423 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.463 11.046 -12.113 1.00 0.00 H new ATOM 0 HG23 THR A 36 -16.107 10.812 -11.474 1.00 0.00 H new ATOM 549 N MET A 37 -14.560 12.429 -7.179 1.00 0.00 N ATOM 550 CA MET A 37 -14.084 13.205 -6.041 1.00 0.00 C ATOM 551 C MET A 37 -13.070 12.411 -5.229 1.00 0.00 C ATOM 552 O MET A 37 -11.968 12.890 -4.967 1.00 0.00 O ATOM 553 CB MET A 37 -15.254 13.625 -5.144 1.00 0.00 C ATOM 554 CG MET A 37 -16.036 14.825 -5.666 1.00 0.00 C ATOM 555 SD MET A 37 -14.987 16.236 -6.068 1.00 0.00 S ATOM 556 CE MET A 37 -14.147 16.493 -4.509 1.00 0.00 C ATOM 0 H MET A 37 -15.526 12.112 -7.100 1.00 0.00 H new ATOM 0 HA MET A 37 -13.598 14.100 -6.428 1.00 0.00 H new ATOM 0 HB2 MET A 37 -15.935 12.781 -5.033 1.00 0.00 H new ATOM 0 HB3 MET A 37 -14.871 13.858 -4.150 1.00 0.00 H new ATOM 0 HG2 MET A 37 -16.592 14.529 -6.555 1.00 0.00 H new ATOM 0 HG3 MET A 37 -16.769 15.127 -4.917 1.00 0.00 H new ATOM 0 HE1 MET A 37 -13.613 17.443 -4.536 1.00 0.00 H new ATOM 0 HE2 MET A 37 -14.878 16.510 -3.700 1.00 0.00 H new ATOM 0 HE3 MET A 37 -13.437 15.683 -4.340 1.00 0.00 H new ATOM 566 N ALA A 38 -13.441 11.194 -4.838 1.00 0.00 N ATOM 567 CA ALA A 38 -12.554 10.344 -4.061 1.00 0.00 C ATOM 568 C ALA A 38 -11.278 10.035 -4.832 1.00 0.00 C ATOM 569 O ALA A 38 -10.180 10.348 -4.380 1.00 0.00 O ATOM 570 CB ALA A 38 -13.266 9.055 -3.673 1.00 0.00 C ATOM 0 H ALA A 38 -14.349 10.779 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.277 10.880 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.591 8.427 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.147 9.291 -3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.571 8.522 -4.574 1.00 0.00 H new ATOM 576 N ALA A 39 -11.425 9.431 -6.009 1.00 0.00 N ATOM 577 CA ALA A 39 -10.275 9.088 -6.843 1.00 0.00 C ATOM 578 C ALA A 39 -9.279 10.239 -6.917 1.00 0.00 C ATOM 579 O ALA A 39 -8.103 10.071 -6.600 1.00 0.00 O ATOM 580 CB ALA A 39 -10.731 8.696 -8.241 1.00 0.00 C ATOM 0 H ALA A 39 -12.327 9.169 -6.406 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.772 8.238 -6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.863 8.444 -8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.394 7.833 -8.179 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.264 9.530 -8.697 1.00 0.00 H new ATOM 586 N GLU A 40 -9.756 11.406 -7.335 1.00 0.00 N ATOM 587 CA GLU A 40 -8.902 12.582 -7.448 1.00 0.00 C ATOM 588 C GLU A 40 -8.370 13.013 -6.083 1.00 0.00 C ATOM 589 O GLU A 40 -7.199 13.367 -5.951 1.00 0.00 O ATOM 590 CB GLU A 40 -9.666 13.735 -8.100 1.00 0.00 C ATOM 591 CG GLU A 40 -9.394 13.879 -9.589 1.00 0.00 C ATOM 592 CD GLU A 40 -8.828 15.239 -9.948 1.00 0.00 C ATOM 593 OE1 GLU A 40 -9.114 16.211 -9.218 1.00 0.00 O ATOM 594 OE2 GLU A 40 -8.100 15.332 -10.959 1.00 0.00 O ATOM 0 H GLU A 40 -10.728 11.563 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.052 12.317 -8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.735 13.584 -7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.400 14.666 -7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.695 13.104 -9.904 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.320 13.717 -10.141 1.00 0.00 H new ATOM 601 N GLU A 41 -9.233 12.983 -5.071 1.00 0.00 N ATOM 602 CA GLU A 41 -8.835 13.377 -3.721 1.00 0.00 C ATOM 603 C GLU A 41 -7.773 12.433 -3.163 1.00 0.00 C ATOM 604 O GLU A 41 -6.717 12.873 -2.711 1.00 0.00 O ATOM 605 CB GLU A 41 -10.047 13.415 -2.786 1.00 0.00 C ATOM 606 CG GLU A 41 -10.512 14.826 -2.462 1.00 0.00 C ATOM 607 CD GLU A 41 -11.162 14.929 -1.096 1.00 0.00 C ATOM 608 OE1 GLU A 41 -12.389 14.721 -1.004 1.00 0.00 O ATOM 609 OE2 GLU A 41 -10.440 15.218 -0.117 1.00 0.00 O ATOM 0 H GLU A 41 -10.207 12.692 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.408 14.378 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.869 12.865 -3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.798 12.900 -1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.660 15.504 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.220 15.154 -3.223 1.00 0.00 H new ATOM 616 N ILE A 42 -8.057 11.135 -3.196 1.00 0.00 N ATOM 617 CA ILE A 42 -7.119 10.138 -2.691 1.00 0.00 C ATOM 618 C ILE A 42 -5.818 10.155 -3.488 1.00 0.00 C ATOM 619 O ILE A 42 -4.745 9.901 -2.942 1.00 0.00 O ATOM 620 CB ILE A 42 -7.710 8.712 -2.731 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.134 8.699 -2.167 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.826 7.749 -1.950 1.00 0.00 C ATOM 623 CD1 ILE A 42 -9.240 9.280 -0.776 1.00 0.00 C ATOM 0 H ILE A 42 -8.926 10.750 -3.566 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.918 10.404 -1.653 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.748 8.388 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.786 9.260 -2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.500 7.672 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.256 6.748 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.829 7.732 -2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.759 8.076 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.277 9.238 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.615 8.705 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.905 10.317 -0.788 1.00 0.00 H new ATOM 635 N LYS A 43 -5.917 10.456 -4.781 1.00 0.00 N ATOM 636 CA LYS A 43 -4.740 10.505 -5.642 1.00 0.00 C ATOM 637 C LYS A 43 -3.844 11.681 -5.267 1.00 0.00 C ATOM 638 O LYS A 43 -2.649 11.512 -5.029 1.00 0.00 O ATOM 639 CB LYS A 43 -5.149 10.610 -7.116 1.00 0.00 C ATOM 640 CG LYS A 43 -4.799 9.376 -7.933 1.00 0.00 C ATOM 641 CD LYS A 43 -5.899 9.028 -8.924 1.00 0.00 C ATOM 642 CE LYS A 43 -5.725 9.775 -10.237 1.00 0.00 C ATOM 643 NZ LYS A 43 -5.989 8.901 -11.413 1.00 0.00 N ATOM 0 H LYS A 43 -6.796 10.669 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.182 9.580 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.224 10.782 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.662 11.479 -7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.866 9.547 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.631 8.532 -7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.894 7.954 -9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.870 9.272 -8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.401 10.629 -10.261 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.711 10.170 -10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.860 9.448 -12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.327 8.099 -11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.965 8.545 -11.369 1.00 0.00 H new ATOM 657 N GLU A 44 -4.431 12.875 -5.219 1.00 0.00 N ATOM 658 CA GLU A 44 -3.686 14.079 -4.874 1.00 0.00 C ATOM 659 C GLU A 44 -3.025 13.938 -3.506 1.00 0.00 C ATOM 660 O GLU A 44 -1.897 14.389 -3.303 1.00 0.00 O ATOM 661 CB GLU A 44 -4.605 15.304 -4.894 1.00 0.00 C ATOM 662 CG GLU A 44 -5.740 15.238 -3.884 1.00 0.00 C ATOM 663 CD GLU A 44 -6.479 16.556 -3.745 1.00 0.00 C ATOM 664 OE1 GLU A 44 -7.063 17.018 -4.747 1.00 0.00 O ATOM 665 OE2 GLU A 44 -6.475 17.123 -2.631 1.00 0.00 O ATOM 0 H GLU A 44 -5.420 13.032 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.904 14.216 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.010 16.196 -4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.026 15.414 -5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.444 14.462 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.340 14.947 -2.913 1.00 0.00 H new ATOM 672 N LEU A 45 -3.731 13.313 -2.569 1.00 0.00 N ATOM 673 CA LEU A 45 -3.203 13.119 -1.224 1.00 0.00 C ATOM 674 C LEU A 45 -2.043 12.129 -1.239 1.00 0.00 C ATOM 675 O LEU A 45 -0.969 12.402 -0.705 1.00 0.00 O ATOM 676 CB LEU A 45 -4.305 12.627 -0.283 1.00 0.00 C ATOM 677 CG LEU A 45 -3.919 12.597 1.199 1.00 0.00 C ATOM 678 CD1 LEU A 45 -4.603 13.727 1.955 1.00 0.00 C ATOM 679 CD2 LEU A 45 -4.268 11.251 1.817 1.00 0.00 C ATOM 0 H LEU A 45 -4.666 12.934 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.835 14.078 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.179 13.268 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.601 11.623 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.841 12.739 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.316 13.688 3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.300 14.684 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.684 13.619 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.986 11.250 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.340 11.077 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.728 10.460 1.296 1.00 0.00 H new ATOM 691 N CYS A 46 -2.273 10.976 -1.857 1.00 0.00 N ATOM 692 CA CYS A 46 -1.251 9.938 -1.951 1.00 0.00 C ATOM 693 C CYS A 46 0.043 10.492 -2.543 1.00 0.00 C ATOM 694 O CYS A 46 1.139 10.104 -2.141 1.00 0.00 O ATOM 695 CB CYS A 46 -1.761 8.773 -2.803 1.00 0.00 C ATOM 696 SG CYS A 46 -2.428 7.395 -1.843 1.00 0.00 S ATOM 0 H CYS A 46 -3.159 10.736 -2.301 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.038 9.580 -0.944 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.535 9.141 -3.477 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.944 8.407 -3.425 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.043 6.570 -2.638 1.00 0.00 H new ATOM 702 N GLN A 47 -0.094 11.402 -3.501 1.00 0.00 N ATOM 703 CA GLN A 47 1.064 12.011 -4.146 1.00 0.00 C ATOM 704 C GLN A 47 1.610 13.174 -3.320 1.00 0.00 C ATOM 705 O GLN A 47 2.796 13.498 -3.397 1.00 0.00 O ATOM 706 CB GLN A 47 0.698 12.490 -5.552 1.00 0.00 C ATOM 707 CG GLN A 47 1.897 12.943 -6.372 1.00 0.00 C ATOM 708 CD GLN A 47 1.908 14.439 -6.615 1.00 0.00 C ATOM 709 OE1 GLN A 47 1.066 14.969 -7.340 1.00 0.00 O ATOM 710 NE2 GLN A 47 2.866 15.128 -6.007 1.00 0.00 N ATOM 0 H GLN A 47 -0.994 11.734 -3.848 1.00 0.00 H new ATOM 0 HA GLN A 47 1.844 11.253 -4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.190 11.683 -6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.010 13.315 -5.473 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.814 12.656 -5.857 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.894 12.423 -7.330 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.543 14.647 -5.415 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.925 16.139 -6.132 1.00 0.00 H new ATOM 719 N SER A 48 0.738 13.804 -2.537 1.00 0.00 N ATOM 720 CA SER A 48 1.140 14.937 -1.709 1.00 0.00 C ATOM 721 C SER A 48 2.340 14.578 -0.839 1.00 0.00 C ATOM 722 O SER A 48 3.296 15.347 -0.733 1.00 0.00 O ATOM 723 CB SER A 48 -0.030 15.397 -0.837 1.00 0.00 C ATOM 724 OG SER A 48 -0.883 16.270 -1.557 1.00 0.00 O ATOM 0 H SER A 48 -0.247 13.551 -2.459 1.00 0.00 H new ATOM 0 HA SER A 48 1.431 15.755 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.595 14.531 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.349 15.903 0.051 1.00 0.00 H new ATOM 0 HG SER A 48 -1.352 15.767 -2.255 1.00 0.00 H new ATOM 730 N HIS A 49 2.287 13.405 -0.220 1.00 0.00 N ATOM 731 CA HIS A 49 3.373 12.947 0.638 1.00 0.00 C ATOM 732 C HIS A 49 4.242 11.905 -0.070 1.00 0.00 C ATOM 733 O HIS A 49 5.107 11.282 0.549 1.00 0.00 O ATOM 734 CB HIS A 49 2.812 12.357 1.930 1.00 0.00 C ATOM 735 CG HIS A 49 3.847 12.162 2.991 1.00 0.00 C ATOM 736 ND1 HIS A 49 4.292 10.920 3.388 1.00 0.00 N ATOM 737 CD2 HIS A 49 4.531 13.061 3.738 1.00 0.00 C ATOM 738 CE1 HIS A 49 5.204 11.060 4.332 1.00 0.00 C ATOM 739 NE2 HIS A 49 5.367 12.350 4.563 1.00 0.00 N ATOM 0 H HIS A 49 1.505 12.754 -0.296 1.00 0.00 H new ATOM 0 HA HIS A 49 3.997 13.810 0.873 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.030 13.014 2.311 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.343 11.398 1.709 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.437 14.136 3.693 1.00 0.00 H new ATOM 0 HE1 HIS A 49 5.727 10.257 4.830 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.010 12.753 5.244 1.00 0.00 H new ATOM 748 N ASN A 50 4.017 11.727 -1.370 1.00 0.00 N ATOM 749 CA ASN A 50 4.786 10.770 -2.158 1.00 0.00 C ATOM 750 C ASN A 50 4.629 9.351 -1.619 1.00 0.00 C ATOM 751 O ASN A 50 5.607 8.721 -1.215 1.00 0.00 O ATOM 752 CB ASN A 50 6.266 11.161 -2.169 1.00 0.00 C ATOM 753 CG ASN A 50 6.583 12.218 -3.210 1.00 0.00 C ATOM 754 OD1 ASN A 50 7.015 11.903 -4.319 1.00 0.00 O ATOM 755 ND2 ASN A 50 6.369 13.479 -2.856 1.00 0.00 N ATOM 0 H ASN A 50 3.308 12.234 -1.899 1.00 0.00 H new ATOM 0 HA ASN A 50 4.399 10.791 -3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.547 11.531 -1.183 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.871 10.275 -2.361 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.564 14.234 -3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.010 13.694 -1.926 1.00 0.00 H new ATOM 762 N ILE A 51 3.393 8.852 -1.611 1.00 0.00 N ATOM 763 CA ILE A 51 3.114 7.506 -1.121 1.00 0.00 C ATOM 764 C ILE A 51 2.747 6.563 -2.267 1.00 0.00 C ATOM 765 O ILE A 51 1.576 6.435 -2.622 1.00 0.00 O ATOM 766 CB ILE A 51 1.959 7.509 -0.100 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.205 8.556 0.988 1.00 0.00 C ATOM 768 CG2 ILE A 51 1.788 6.125 0.513 1.00 0.00 C ATOM 769 CD1 ILE A 51 0.937 9.221 1.479 1.00 0.00 C ATOM 0 H ILE A 51 2.571 9.360 -1.938 1.00 0.00 H new ATOM 0 HA ILE A 51 4.026 7.155 -0.638 1.00 0.00 H new ATOM 0 HB ILE A 51 1.038 7.770 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.708 8.082 1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.881 9.319 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.969 6.144 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.564 5.404 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.708 5.835 1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.184 9.952 2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.444 9.723 0.647 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.269 8.467 1.895 1.00 0.00 H new ATOM 781 N PRO A 52 3.745 5.886 -2.859 1.00 0.00 N ATOM 782 CA PRO A 52 3.515 4.952 -3.966 1.00 0.00 C ATOM 783 C PRO A 52 2.463 3.899 -3.627 1.00 0.00 C ATOM 784 O PRO A 52 2.645 3.099 -2.711 1.00 0.00 O ATOM 785 CB PRO A 52 4.885 4.300 -4.176 1.00 0.00 C ATOM 786 CG PRO A 52 5.862 5.287 -3.639 1.00 0.00 C ATOM 787 CD PRO A 52 5.170 5.977 -2.499 1.00 0.00 C ATOM 0 HA PRO A 52 3.133 5.457 -4.853 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.955 3.348 -3.650 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.068 4.096 -5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.772 4.791 -3.300 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.156 6.002 -4.407 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.376 5.486 -1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.494 7.013 -2.400 1.00 0.00 H new ATOM 795 N VAL A 53 1.368 3.905 -4.384 1.00 0.00 N ATOM 796 CA VAL A 53 0.278 2.950 -4.187 1.00 0.00 C ATOM 797 C VAL A 53 -0.578 2.857 -5.443 1.00 0.00 C ATOM 798 O VAL A 53 -0.427 3.658 -6.367 1.00 0.00 O ATOM 799 CB VAL A 53 -0.642 3.345 -3.010 1.00 0.00 C ATOM 800 CG1 VAL A 53 -0.025 2.978 -1.668 1.00 0.00 C ATOM 801 CG2 VAL A 53 -0.973 4.828 -3.066 1.00 0.00 C ATOM 0 H VAL A 53 1.211 4.566 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 53 0.745 1.991 -3.963 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.568 2.779 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.701 3.271 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.143 1.902 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.926 3.498 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.622 5.088 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.053 5.409 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.482 5.052 -4.003 1.00 0.00 H new ATOM 811 N GLU A 54 -1.481 1.885 -5.470 1.00 0.00 N ATOM 812 CA GLU A 54 -2.368 1.700 -6.615 1.00 0.00 C ATOM 813 C GLU A 54 -3.826 1.678 -6.166 1.00 0.00 C ATOM 814 O GLU A 54 -4.232 0.812 -5.389 1.00 0.00 O ATOM 815 CB GLU A 54 -2.028 0.405 -7.361 1.00 0.00 C ATOM 816 CG GLU A 54 -0.537 0.111 -7.436 1.00 0.00 C ATOM 817 CD GLU A 54 0.009 0.203 -8.847 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.234 -0.729 -9.641 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.682 1.209 -9.157 1.00 0.00 O ATOM 0 H GLU A 54 -1.620 1.213 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.223 2.540 -7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.529 -0.429 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.428 0.464 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.000 0.812 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.348 -0.888 -7.042 1.00 0.00 H new ATOM 826 N LEU A 55 -4.606 2.640 -6.651 1.00 0.00 N ATOM 827 CA LEU A 55 -6.017 2.738 -6.294 1.00 0.00 C ATOM 828 C LEU A 55 -6.901 2.087 -7.354 1.00 0.00 C ATOM 829 O LEU A 55 -6.909 2.502 -8.513 1.00 0.00 O ATOM 830 CB LEU A 55 -6.418 4.205 -6.119 1.00 0.00 C ATOM 831 CG LEU A 55 -7.724 4.440 -5.353 1.00 0.00 C ATOM 832 CD1 LEU A 55 -7.566 5.587 -4.364 1.00 0.00 C ATOM 833 CD2 LEU A 55 -8.863 4.728 -6.321 1.00 0.00 C ATOM 0 H LEU A 55 -4.284 3.364 -7.293 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.161 2.208 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.613 4.725 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.508 4.660 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.963 3.535 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.504 5.739 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.777 5.347 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.304 6.498 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.784 4.893 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.629 5.619 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.993 3.879 -6.992 1.00 0.00 H new ATOM 845 N ILE A 56 -7.635 1.060 -6.945 1.00 0.00 N ATOM 846 CA ILE A 56 -8.527 0.336 -7.846 1.00 0.00 C ATOM 847 C ILE A 56 -9.988 0.606 -7.501 1.00 0.00 C ATOM 848 O ILE A 56 -10.316 0.846 -6.342 1.00 0.00 O ATOM 849 CB ILE A 56 -8.258 -1.186 -7.809 1.00 0.00 C ATOM 850 CG1 ILE A 56 -9.002 -1.889 -8.943 1.00 0.00 C ATOM 851 CG2 ILE A 56 -8.652 -1.785 -6.471 1.00 0.00 C ATOM 852 CD1 ILE A 56 -8.280 -1.821 -10.268 1.00 0.00 C ATOM 0 H ILE A 56 -7.631 0.707 -5.988 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.326 0.698 -8.854 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.187 -1.337 -7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.155 -2.934 -8.674 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.989 -1.441 -9.052 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.450 -2.856 -6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.075 -1.312 -5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.715 -1.617 -6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.864 -2.340 -11.028 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.151 -0.779 -10.559 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.303 -2.295 -10.175 1.00 0.00 H new ATOM 864 N GLN A 57 -10.868 0.546 -8.496 1.00 0.00 N ATOM 865 CA GLN A 57 -12.288 0.761 -8.262 1.00 0.00 C ATOM 866 C GLN A 57 -13.061 -0.523 -8.570 1.00 0.00 C ATOM 867 O GLN A 57 -12.659 -1.303 -9.431 1.00 0.00 O ATOM 868 CB GLN A 57 -12.798 1.920 -9.120 1.00 0.00 C ATOM 869 CG GLN A 57 -12.534 1.742 -10.606 1.00 0.00 C ATOM 870 CD GLN A 57 -11.521 2.735 -11.143 1.00 0.00 C ATOM 871 OE1 GLN A 57 -10.317 2.477 -11.134 1.00 0.00 O ATOM 872 NE2 GLN A 57 -12.003 3.882 -11.610 1.00 0.00 N ATOM 0 H GLN A 57 -10.622 0.351 -9.467 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.444 1.021 -7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -13.870 2.033 -8.962 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.327 2.844 -8.784 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.176 0.729 -10.788 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.470 1.852 -11.153 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.008 4.055 -11.599 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.368 4.589 -11.980 1.00 0.00 H new ATOM 881 N CYS A 58 -14.158 -0.749 -7.851 1.00 0.00 N ATOM 882 CA CYS A 58 -14.967 -1.952 -8.040 1.00 0.00 C ATOM 883 C CYS A 58 -16.397 -1.720 -7.561 1.00 0.00 C ATOM 884 O CYS A 58 -16.680 -0.724 -6.904 1.00 0.00 O ATOM 885 CB CYS A 58 -14.345 -3.132 -7.287 1.00 0.00 C ATOM 886 SG CYS A 58 -13.360 -4.237 -8.327 1.00 0.00 S ATOM 0 H CYS A 58 -14.508 -0.115 -7.132 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.992 -2.185 -9.105 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -13.714 -2.746 -6.486 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -15.141 -3.708 -6.816 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.700 -3.537 -9.201 1.00 0.00 H new ATOM 892 N ARG A 59 -17.297 -2.641 -7.891 1.00 0.00 N ATOM 893 CA ARG A 59 -18.693 -2.530 -7.486 1.00 0.00 C ATOM 894 C ARG A 59 -18.875 -3.034 -6.053 1.00 0.00 C ATOM 895 O ARG A 59 -17.896 -3.255 -5.341 1.00 0.00 O ATOM 896 CB ARG A 59 -19.573 -3.331 -8.448 1.00 0.00 C ATOM 897 CG ARG A 59 -19.981 -2.555 -9.690 1.00 0.00 C ATOM 898 CD ARG A 59 -18.788 -2.277 -10.592 1.00 0.00 C ATOM 899 NE ARG A 59 -18.830 -0.930 -11.153 1.00 0.00 N ATOM 900 CZ ARG A 59 -19.353 -0.633 -12.341 1.00 0.00 C ATOM 901 NH1 ARG A 59 -19.877 -1.585 -13.105 1.00 0.00 N ATOM 902 NH2 ARG A 59 -19.352 0.623 -12.764 1.00 0.00 N ATOM 0 H ARG A 59 -17.083 -3.474 -8.439 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.990 -1.482 -7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -19.039 -4.231 -8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.471 -3.655 -7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.732 -3.120 -10.242 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.443 -1.613 -9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.866 -2.405 -10.024 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.767 -3.007 -11.402 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.434 -0.169 -10.601 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.881 -2.553 -12.783 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.275 -1.348 -14.014 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.952 1.357 -12.180 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.751 0.855 -13.673 1.00 0.00 H new ATOM 916 N VAL A 60 -20.124 -3.209 -5.633 1.00 0.00 N ATOM 917 CA VAL A 60 -20.416 -3.681 -4.282 1.00 0.00 C ATOM 918 C VAL A 60 -20.022 -5.145 -4.092 1.00 0.00 C ATOM 919 O VAL A 60 -19.845 -5.603 -2.963 1.00 0.00 O ATOM 920 CB VAL A 60 -21.909 -3.515 -3.937 1.00 0.00 C ATOM 921 CG1 VAL A 60 -22.219 -2.062 -3.615 1.00 0.00 C ATOM 922 CG2 VAL A 60 -22.786 -4.014 -5.076 1.00 0.00 C ATOM 0 H VAL A 60 -20.949 -3.032 -6.206 1.00 0.00 H new ATOM 0 HA VAL A 60 -19.820 -3.065 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 60 -22.127 -4.118 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -23.277 -1.961 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -21.620 -1.742 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -21.983 -1.440 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.835 -3.887 -4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -22.569 -3.444 -5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.583 -5.070 -5.256 1.00 0.00 H new ATOM 932 N ASN A 61 -19.888 -5.877 -5.194 1.00 0.00 N ATOM 933 CA ASN A 61 -19.522 -7.288 -5.130 1.00 0.00 C ATOM 934 C ASN A 61 -18.414 -7.621 -6.129 1.00 0.00 C ATOM 935 O ASN A 61 -18.619 -8.390 -7.068 1.00 0.00 O ATOM 936 CB ASN A 61 -20.750 -8.161 -5.390 1.00 0.00 C ATOM 937 CG ASN A 61 -21.584 -7.659 -6.556 1.00 0.00 C ATOM 938 OD1 ASN A 61 -22.618 -7.019 -6.362 1.00 0.00 O ATOM 939 ND2 ASN A 61 -21.136 -7.945 -7.771 1.00 0.00 N ATOM 0 H ASN A 61 -20.027 -5.518 -6.139 1.00 0.00 H new ATOM 0 HA ASN A 61 -19.142 -7.494 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -20.429 -9.183 -5.590 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -21.367 -8.191 -4.492 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -21.654 -7.632 -8.592 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -20.274 -8.478 -7.884 1.00 0.00 H new ATOM 946 N GLU A 62 -17.239 -7.038 -5.912 1.00 0.00 N ATOM 947 CA GLU A 62 -16.090 -7.271 -6.784 1.00 0.00 C ATOM 948 C GLU A 62 -14.795 -7.295 -5.980 1.00 0.00 C ATOM 949 O GLU A 62 -13.882 -8.058 -6.280 1.00 0.00 O ATOM 950 CB GLU A 62 -16.005 -6.192 -7.862 1.00 0.00 C ATOM 951 CG GLU A 62 -17.304 -5.975 -8.616 1.00 0.00 C ATOM 952 CD GLU A 62 -17.767 -7.218 -9.349 1.00 0.00 C ATOM 953 OE1 GLU A 62 -16.972 -8.175 -9.455 1.00 0.00 O ATOM 954 OE2 GLU A 62 -18.925 -7.235 -9.815 1.00 0.00 O ATOM 0 H GLU A 62 -17.056 -6.399 -5.138 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.226 -8.241 -7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.703 -5.252 -7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.224 -6.463 -8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.078 -5.661 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.173 -5.163 -9.332 1.00 0.00 H new ATOM 961 N ILE A 63 -14.716 -6.461 -4.952 1.00 0.00 N ATOM 962 CA ILE A 63 -13.524 -6.407 -4.116 1.00 0.00 C ATOM 963 C ILE A 63 -13.152 -7.797 -3.615 1.00 0.00 C ATOM 964 O ILE A 63 -11.975 -8.144 -3.546 1.00 0.00 O ATOM 965 CB ILE A 63 -13.721 -5.460 -2.918 1.00 0.00 C ATOM 966 CG1 ILE A 63 -13.935 -4.030 -3.426 1.00 0.00 C ATOM 967 CG2 ILE A 63 -12.526 -5.542 -1.967 1.00 0.00 C ATOM 968 CD1 ILE A 63 -13.857 -2.974 -2.348 1.00 0.00 C ATOM 0 H ILE A 63 -15.458 -5.817 -4.678 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.712 -6.020 -4.732 1.00 0.00 H new ATOM 0 HB ILE A 63 -14.605 -5.764 -2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.188 -3.811 -4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.910 -3.970 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -12.683 -4.866 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -12.424 -6.563 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.618 -5.256 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.019 -1.991 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.622 -3.165 -1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.873 -3.004 -1.880 1.00 0.00 H new ATOM 980 N GLU A 64 -14.166 -8.583 -3.272 1.00 0.00 N ATOM 981 CA GLU A 64 -13.957 -9.940 -2.781 1.00 0.00 C ATOM 982 C GLU A 64 -13.277 -10.802 -3.839 1.00 0.00 C ATOM 983 O GLU A 64 -12.365 -11.570 -3.536 1.00 0.00 O ATOM 984 CB GLU A 64 -15.297 -10.567 -2.383 1.00 0.00 C ATOM 985 CG GLU A 64 -15.174 -11.982 -1.843 1.00 0.00 C ATOM 986 CD GLU A 64 -16.391 -12.833 -2.150 1.00 0.00 C ATOM 987 OE1 GLU A 64 -17.448 -12.603 -1.525 1.00 0.00 O ATOM 988 OE2 GLU A 64 -16.287 -13.730 -3.013 1.00 0.00 O ATOM 0 H GLU A 64 -15.145 -8.302 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.308 -9.890 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.771 -9.940 -1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.956 -10.575 -3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.289 -12.454 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.026 -11.943 -0.764 1.00 0.00 H new ATOM 995 N THR A 65 -13.732 -10.672 -5.080 1.00 0.00 N ATOM 996 CA THR A 65 -13.175 -11.441 -6.183 1.00 0.00 C ATOM 997 C THR A 65 -11.783 -10.940 -6.565 1.00 0.00 C ATOM 998 O THR A 65 -10.882 -11.735 -6.840 1.00 0.00 O ATOM 999 CB THR A 65 -14.113 -11.374 -7.391 1.00 0.00 C ATOM 1000 OG1 THR A 65 -14.562 -10.051 -7.609 1.00 0.00 O ATOM 1001 CG2 THR A 65 -15.342 -12.241 -7.244 1.00 0.00 C ATOM 0 H THR A 65 -14.487 -10.040 -5.346 1.00 0.00 H new ATOM 0 HA THR A 65 -13.078 -12.477 -5.859 1.00 0.00 H new ATOM 0 HB THR A 65 -13.520 -11.738 -8.230 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.131 -9.687 -8.411 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.963 -12.146 -8.135 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.041 -13.281 -7.121 1.00 0.00 H new ATOM 0 HG23 THR A 65 -15.910 -11.922 -6.370 1.00 0.00 H new ATOM 1009 N TYR A 66 -11.607 -9.621 -6.572 1.00 0.00 N ATOM 1010 CA TYR A 66 -10.316 -9.025 -6.911 1.00 0.00 C ATOM 1011 C TYR A 66 -9.449 -8.832 -5.662 1.00 0.00 C ATOM 1012 O TYR A 66 -8.411 -8.174 -5.716 1.00 0.00 O ATOM 1013 CB TYR A 66 -10.510 -7.682 -7.626 1.00 0.00 C ATOM 1014 CG TYR A 66 -11.311 -7.767 -8.914 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -12.641 -8.159 -8.900 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -10.739 -7.444 -10.139 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -13.382 -8.232 -10.061 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -11.475 -7.512 -11.309 1.00 0.00 C ATOM 1019 CZ TYR A 66 -12.795 -7.906 -11.263 1.00 0.00 C ATOM 1020 OH TYR A 66 -13.534 -7.974 -12.424 1.00 0.00 O ATOM 0 H TYR A 66 -12.338 -8.946 -6.348 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.802 -9.712 -7.583 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.010 -6.991 -6.947 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.531 -7.258 -7.849 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -13.107 -8.413 -7.959 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.705 -7.135 -10.178 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -14.416 -8.543 -10.027 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -11.017 -7.258 -12.254 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.974 -7.711 -13.184 1.00 0.00 H new ATOM 1030 N MET A 67 -9.876 -9.421 -4.541 1.00 0.00 N ATOM 1031 CA MET A 67 -9.134 -9.323 -3.282 1.00 0.00 C ATOM 1032 C MET A 67 -7.898 -10.228 -3.286 1.00 0.00 C ATOM 1033 O MET A 67 -7.684 -10.996 -2.348 1.00 0.00 O ATOM 1034 CB MET A 67 -10.042 -9.690 -2.100 1.00 0.00 C ATOM 1035 CG MET A 67 -9.900 -8.759 -0.905 1.00 0.00 C ATOM 1036 SD MET A 67 -8.337 -8.983 -0.032 1.00 0.00 S ATOM 1037 CE MET A 67 -8.402 -7.625 1.133 1.00 0.00 C ATOM 0 H MET A 67 -10.733 -9.971 -4.481 1.00 0.00 H new ATOM 0 HA MET A 67 -8.799 -8.291 -3.176 1.00 0.00 H new ATOM 0 HB2 MET A 67 -11.079 -9.681 -2.434 1.00 0.00 H new ATOM 0 HB3 MET A 67 -9.817 -10.709 -1.784 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.978 -7.726 -1.243 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.725 -8.932 -0.214 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.553 -6.962 0.967 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.329 -7.069 0.992 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.364 -8.016 2.150 1.00 0.00 H new ATOM 1047 N ASP A 68 -7.089 -10.142 -4.340 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.887 -10.964 -4.444 1.00 0.00 C ATOM 1049 C ASP A 68 -4.733 -10.339 -3.663 1.00 0.00 C ATOM 1050 O ASP A 68 -4.026 -11.025 -2.926 1.00 0.00 O ATOM 1051 CB ASP A 68 -5.491 -11.152 -5.914 1.00 0.00 C ATOM 1052 CG ASP A 68 -6.692 -11.352 -6.822 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -7.598 -12.125 -6.448 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -6.724 -10.735 -7.909 1.00 0.00 O ATOM 0 H ASP A 68 -7.243 -9.515 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.106 -11.941 -4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.928 -10.281 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.828 -12.013 -6.000 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.553 -9.032 -3.826 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.488 -8.332 -3.127 1.00 0.00 C ATOM 1061 C GLY A 69 -3.881 -6.918 -2.740 1.00 0.00 C ATOM 1062 O GLY A 69 -3.215 -5.956 -3.123 1.00 0.00 O ATOM 0 H GLY A 69 -5.126 -8.443 -4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.218 -8.889 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.602 -8.299 -3.761 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.966 -6.787 -1.984 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.445 -5.478 -1.553 1.00 0.00 C ATOM 1068 C VAL A 70 -5.035 -5.191 -0.106 1.00 0.00 C ATOM 1069 O VAL A 70 -5.238 -6.019 0.780 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.978 -5.380 -1.680 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.449 -3.960 -1.414 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.436 -5.846 -3.054 1.00 0.00 C ATOM 0 H VAL A 70 -5.530 -7.571 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.987 -4.735 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.423 -6.035 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.534 -3.913 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.160 -3.663 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.992 -3.284 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.521 -5.768 -3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.979 -5.221 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.136 -6.883 -3.205 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.454 -4.012 0.127 1.00 0.00 N ATOM 1083 CA HIS A 71 -4.009 -3.623 1.467 1.00 0.00 C ATOM 1084 C HIS A 71 -5.083 -2.825 2.209 1.00 0.00 C ATOM 1085 O HIS A 71 -5.027 -2.687 3.432 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.727 -2.793 1.370 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.753 -3.032 2.485 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -1.619 -2.184 3.564 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -0.847 -4.023 2.676 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -0.676 -2.638 4.370 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -0.192 -3.753 3.854 1.00 0.00 N ATOM 0 H HIS A 71 -4.281 -3.311 -0.594 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.817 -4.536 2.031 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.237 -3.012 0.421 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.992 -1.736 1.355 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.673 -4.867 2.024 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.356 -2.177 5.292 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.549 -4.322 4.264 1.00 0.00 H new ATOM 1100 N LEU A 72 -6.053 -2.295 1.465 1.00 0.00 N ATOM 1101 CA LEU A 72 -7.136 -1.503 2.049 1.00 0.00 C ATOM 1102 C LEU A 72 -8.358 -1.510 1.143 1.00 0.00 C ATOM 1103 O LEU A 72 -8.233 -1.497 -0.078 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.696 -0.058 2.254 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.667 0.173 3.353 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -4.952 1.493 3.119 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -6.340 0.150 4.717 1.00 0.00 C ATOM 0 H LEU A 72 -6.111 -2.400 0.452 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.388 -1.952 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.286 0.314 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.578 0.542 2.477 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.928 -0.628 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.217 1.654 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.448 1.467 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.678 2.306 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.594 0.316 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.094 0.936 4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.815 -0.819 4.872 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.542 -1.536 1.735 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.767 -1.547 0.951 1.00 0.00 C ATOM 1121 C ILE A 73 -11.710 -0.423 1.373 1.00 0.00 C ATOM 1122 O ILE A 73 -11.808 -0.085 2.552 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.478 -2.910 1.083 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -10.797 -3.951 0.204 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -12.954 -2.808 0.720 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -9.511 -4.497 0.787 1.00 0.00 C ATOM 0 H ILE A 73 -9.680 -1.550 2.745 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.494 -1.385 -0.092 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.407 -3.219 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -11.487 -4.777 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.584 -3.508 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.423 -3.786 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.444 -2.098 1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.053 -2.467 -0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.085 -5.232 0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.802 -3.682 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.719 -4.971 1.747 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.405 0.156 0.402 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.344 1.233 0.683 1.00 0.00 C ATOM 1140 C CYS A 74 -14.714 0.926 0.089 1.00 0.00 C ATOM 1141 O CYS A 74 -14.917 1.042 -1.119 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.823 2.563 0.133 1.00 0.00 C ATOM 1143 SG CYS A 74 -11.338 3.169 0.967 1.00 0.00 S ATOM 0 H CYS A 74 -12.336 -0.101 -0.583 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.443 1.316 1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.609 2.447 -0.930 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.609 3.314 0.220 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.970 4.296 0.434 1.00 0.00 H new ATOM 1149 N THR A 75 -15.653 0.540 0.945 1.00 0.00 N ATOM 1150 CA THR A 75 -17.008 0.227 0.499 1.00 0.00 C ATOM 1151 C THR A 75 -18.027 1.150 1.167 1.00 0.00 C ATOM 1152 O THR A 75 -17.903 1.478 2.348 1.00 0.00 O ATOM 1153 CB THR A 75 -17.354 -1.234 0.799 1.00 0.00 C ATOM 1154 OG1 THR A 75 -16.769 -1.650 2.020 1.00 0.00 O ATOM 1155 CG2 THR A 75 -16.898 -2.196 -0.279 1.00 0.00 C ATOM 0 H THR A 75 -15.503 0.436 1.949 1.00 0.00 H new ATOM 0 HA THR A 75 -17.048 0.383 -0.579 1.00 0.00 H new ATOM 0 HB THR A 75 -18.442 -1.264 0.852 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.004 -2.585 2.193 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.176 -3.213 -0.001 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.374 -1.935 -1.224 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.815 -2.133 -0.389 1.00 0.00 H new ATOM 1163 N THR A 76 -19.029 1.572 0.402 1.00 0.00 N ATOM 1164 CA THR A 76 -20.066 2.464 0.918 1.00 0.00 C ATOM 1165 C THR A 76 -21.118 1.693 1.714 1.00 0.00 C ATOM 1166 O THR A 76 -22.263 1.559 1.284 1.00 0.00 O ATOM 1167 CB THR A 76 -20.729 3.219 -0.237 1.00 0.00 C ATOM 1168 OG1 THR A 76 -21.462 2.331 -1.063 1.00 0.00 O ATOM 1169 CG2 THR A 76 -19.735 3.953 -1.114 1.00 0.00 C ATOM 0 H THR A 76 -19.146 1.312 -0.577 1.00 0.00 H new ATOM 0 HA THR A 76 -19.592 3.178 1.592 1.00 0.00 H new ATOM 0 HB THR A 76 -21.387 3.950 0.232 1.00 0.00 H new ATOM 0 HG1 THR A 76 -22.133 1.862 -0.524 1.00 0.00 H new ATOM 0 HG21 THR A 76 -20.267 4.468 -1.914 1.00 0.00 H new ATOM 0 HG22 THR A 76 -19.189 4.681 -0.514 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.034 3.239 -1.546 1.00 0.00 H new ATOM 1294 N GLY A 84 -11.818 -13.024 7.461 1.00 0.00 N ATOM 1295 CA GLY A 84 -10.372 -12.942 7.386 1.00 0.00 C ATOM 1296 C GLY A 84 -9.828 -11.706 8.075 1.00 0.00 C ATOM 1297 O GLY A 84 -9.873 -11.602 9.301 1.00 0.00 O ATOM 0 HA2 GLY A 84 -9.936 -13.831 7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.065 -12.937 6.340 1.00 0.00 H new ATOM 1301 N ASP A 85 -9.314 -10.767 7.287 1.00 0.00 N ATOM 1302 CA ASP A 85 -8.762 -9.532 7.828 1.00 0.00 C ATOM 1303 C ASP A 85 -8.782 -8.427 6.779 1.00 0.00 C ATOM 1304 O ASP A 85 -7.923 -7.548 6.782 1.00 0.00 O ATOM 1305 CB ASP A 85 -7.330 -9.758 8.315 1.00 0.00 C ATOM 1306 CG ASP A 85 -6.954 -8.833 9.456 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -6.810 -7.617 9.210 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -6.802 -9.324 10.594 1.00 0.00 O ATOM 0 H ASP A 85 -9.269 -10.839 6.271 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.381 -9.225 8.671 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.218 -10.793 8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.639 -9.607 7.486 1.00 0.00 H new ATOM 1313 N ILE A 86 -9.763 -8.486 5.881 1.00 0.00 N ATOM 1314 CA ILE A 86 -9.895 -7.492 4.820 1.00 0.00 C ATOM 1315 C ILE A 86 -9.915 -6.076 5.398 1.00 0.00 C ATOM 1316 O ILE A 86 -10.914 -5.635 5.964 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.171 -7.730 3.985 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.366 -6.612 2.955 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -12.385 -7.846 4.891 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -12.443 -6.913 1.935 1.00 0.00 C ATOM 0 H ILE A 86 -10.479 -9.213 5.868 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.028 -7.597 4.168 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.055 -8.669 3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.618 -5.688 3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.423 -6.438 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.276 -8.014 4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.249 -8.683 5.576 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.502 -6.925 5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.527 -6.079 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.183 -7.819 1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.396 -7.058 2.444 1.00 0.00 H new ATOM 1332 N PRO A 87 -8.801 -5.344 5.268 1.00 0.00 N ATOM 1333 CA PRO A 87 -8.696 -3.978 5.790 1.00 0.00 C ATOM 1334 C PRO A 87 -9.569 -2.985 5.023 1.00 0.00 C ATOM 1335 O PRO A 87 -9.065 -2.161 4.263 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.212 -3.649 5.607 1.00 0.00 C ATOM 1337 CG PRO A 87 -6.767 -4.518 4.481 1.00 0.00 C ATOM 1338 CD PRO A 87 -7.551 -5.788 4.617 1.00 0.00 C ATOM 0 HA PRO A 87 -9.041 -3.907 6.822 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.066 -2.594 5.374 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.646 -3.856 6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.957 -4.041 3.519 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.696 -4.711 4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.743 -6.249 3.648 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.022 -6.525 5.221 1.00 0.00 H new ATOM 1346 N LEU A 88 -10.884 -3.061 5.228 1.00 0.00 N ATOM 1347 CA LEU A 88 -11.807 -2.159 4.547 1.00 0.00 C ATOM 1348 C LEU A 88 -12.331 -1.078 5.486 1.00 0.00 C ATOM 1349 O LEU A 88 -12.278 -1.216 6.709 1.00 0.00 O ATOM 1350 CB LEU A 88 -12.984 -2.931 3.956 1.00 0.00 C ATOM 1351 CG LEU A 88 -13.849 -3.661 4.971 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -15.079 -2.830 5.320 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.237 -5.032 4.437 1.00 0.00 C ATOM 0 H LEU A 88 -11.329 -3.732 5.854 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.249 -1.679 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.612 -2.236 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.600 -3.657 3.240 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.277 -3.805 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.687 -3.368 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -14.765 -1.876 5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.665 -2.652 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.856 -5.547 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.796 -4.916 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.337 -5.617 4.248 1.00 0.00 H new ATOM 1365 N VAL A 89 -12.845 -0.004 4.898 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.392 1.109 5.662 1.00 0.00 C ATOM 1367 C VAL A 89 -14.529 1.780 4.896 1.00 0.00 C ATOM 1368 O VAL A 89 -14.652 1.615 3.682 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.307 2.153 5.998 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -11.557 1.747 7.258 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -11.341 2.332 4.834 1.00 0.00 C ATOM 0 H VAL A 89 -12.894 0.119 3.887 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.778 0.702 6.597 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.798 3.110 6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.794 2.492 7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -12.256 1.679 8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.083 0.778 7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.587 3.073 5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.855 1.381 4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.889 2.670 3.955 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.365 2.522 5.611 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.501 3.202 4.998 1.00 0.00 C ATOM 1383 C HIS A 90 -16.308 4.717 5.020 1.00 0.00 C ATOM 1384 O HIS A 90 -16.135 5.316 6.082 1.00 0.00 O ATOM 1385 CB HIS A 90 -17.795 2.814 5.722 1.00 0.00 C ATOM 1386 CG HIS A 90 -17.872 1.354 6.059 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -17.183 0.784 7.108 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -18.558 0.342 5.476 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -17.439 -0.512 7.155 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -18.272 -0.805 6.175 1.00 0.00 N ATOM 0 H HIS A 90 -15.278 2.669 6.617 1.00 0.00 H new ATOM 0 HA HIS A 90 -16.571 2.889 3.956 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.878 3.396 6.640 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.647 3.081 5.097 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -19.210 0.422 4.619 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -17.035 -1.211 7.873 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -18.643 -1.733 5.970 1.00 0.00 H new ATOM 1399 N GLY A 91 -16.333 5.329 3.839 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.153 6.765 3.732 1.00 0.00 C ATOM 1401 C GLY A 91 -17.459 7.529 3.825 1.00 0.00 C ATOM 1402 O GLY A 91 -17.670 8.498 3.093 1.00 0.00 O ATOM 0 H GLY A 91 -16.476 4.851 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -15.483 7.103 4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.669 6.996 2.783 1.00 0.00 H new ATOM 1406 N MET A 92 -18.335 7.100 4.729 1.00 0.00 N ATOM 1407 CA MET A 92 -19.626 7.751 4.922 1.00 0.00 C ATOM 1408 C MET A 92 -19.477 9.273 4.979 1.00 0.00 C ATOM 1409 O MET A 92 -20.163 9.992 4.252 1.00 0.00 O ATOM 1410 CB MET A 92 -20.289 7.231 6.202 1.00 0.00 C ATOM 1411 CG MET A 92 -21.536 8.003 6.621 1.00 0.00 C ATOM 1412 SD MET A 92 -23.059 7.135 6.209 1.00 0.00 S ATOM 1413 CE MET A 92 -22.739 6.711 4.500 1.00 0.00 C ATOM 0 H MET A 92 -18.173 6.301 5.342 1.00 0.00 H new ATOM 0 HA MET A 92 -20.260 7.510 4.069 1.00 0.00 H new ATOM 0 HB2 MET A 92 -20.555 6.184 6.060 1.00 0.00 H new ATOM 0 HB3 MET A 92 -19.563 7.268 7.014 1.00 0.00 H new ATOM 0 HG2 MET A 92 -21.504 8.182 7.696 1.00 0.00 H new ATOM 0 HG3 MET A 92 -21.535 8.979 6.135 1.00 0.00 H new ATOM 0 HE1 MET A 92 -23.651 6.327 4.043 1.00 0.00 H new ATOM 0 HE2 MET A 92 -22.409 7.599 3.961 1.00 0.00 H new ATOM 0 HE3 MET A 92 -21.962 5.948 4.454 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.588 9.793 5.847 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.379 11.240 5.976 1.00 0.00 C ATOM 1425 C PRO A 93 -17.649 11.833 4.776 1.00 0.00 C ATOM 1426 O PRO A 93 -17.786 13.019 4.478 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.520 11.359 7.233 1.00 0.00 C ATOM 1428 CG PRO A 93 -16.770 10.075 7.284 1.00 0.00 C ATOM 1429 CD PRO A 93 -17.722 9.030 6.773 1.00 0.00 C ATOM 0 HA PRO A 93 -19.322 11.784 6.030 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.845 12.213 7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.133 11.498 8.123 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.872 10.121 6.669 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.449 9.849 8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.198 8.222 6.262 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.296 8.577 7.581 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.871 11.000 4.090 1.00 0.00 N ATOM 1438 CA PHE A 94 -16.119 11.442 2.920 1.00 0.00 C ATOM 1439 C PHE A 94 -17.072 11.825 1.788 1.00 0.00 C ATOM 1440 O PHE A 94 -16.807 12.754 1.025 1.00 0.00 O ATOM 1441 CB PHE A 94 -15.152 10.336 2.466 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.691 10.671 2.652 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -13.275 11.525 3.664 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.731 10.124 1.811 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.935 11.828 3.830 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.391 10.423 1.976 1.00 0.00 C ATOM 1447 CZ PHE A 94 -10.993 11.277 2.986 1.00 0.00 C ATOM 0 H PHE A 94 -16.745 10.015 4.324 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.536 12.324 3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -15.377 9.424 3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.332 10.122 1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -14.006 11.958 4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.035 9.457 1.018 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.627 12.496 4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.656 9.989 1.315 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.947 11.513 3.115 1.00 0.00 H new ATOM 1457 N VAL A 95 -18.182 11.099 1.695 1.00 0.00 N ATOM 1458 CA VAL A 95 -19.191 11.344 0.666 1.00 0.00 C ATOM 1459 C VAL A 95 -19.974 12.629 0.942 1.00 0.00 C ATOM 1460 O VAL A 95 -20.546 13.228 0.031 1.00 0.00 O ATOM 1461 CB VAL A 95 -20.191 10.170 0.585 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -21.084 10.299 -0.639 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -19.462 8.833 0.581 1.00 0.00 C ATOM 0 H VAL A 95 -18.408 10.329 2.325 1.00 0.00 H new ATOM 0 HA VAL A 95 -18.658 11.444 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.824 10.209 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.779 9.460 -0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.644 11.232 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.470 10.297 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -20.189 8.023 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.795 8.785 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.879 8.734 1.497 1.00 0.00 H new ATOM 1473 N SER A 96 -20.004 13.037 2.208 1.00 0.00 N ATOM 1474 CA SER A 96 -20.726 14.240 2.616 1.00 0.00 C ATOM 1475 C SER A 96 -20.198 15.477 1.899 1.00 0.00 C ATOM 1476 O SER A 96 -20.940 16.424 1.641 1.00 0.00 O ATOM 1477 CB SER A 96 -20.607 14.432 4.129 1.00 0.00 C ATOM 1478 OG SER A 96 -21.795 14.980 4.673 1.00 0.00 O ATOM 0 H SER A 96 -19.535 12.550 2.972 1.00 0.00 H new ATOM 0 HA SER A 96 -21.773 14.110 2.343 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.395 13.474 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 96 -19.766 15.090 4.349 1.00 0.00 H new ATOM 0 HG SER A 96 -21.691 15.090 5.641 1.00 0.00 H new ATOM 1484 N GLY A 97 -18.910 15.464 1.586 1.00 0.00 N ATOM 1485 CA GLY A 97 -18.305 16.594 0.910 1.00 0.00 C ATOM 1486 C GLY A 97 -18.034 17.758 1.847 1.00 0.00 C ATOM 1487 O GLY A 97 -17.541 18.800 1.418 1.00 0.00 O ATOM 0 H GLY A 97 -18.274 14.693 1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -17.369 16.278 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.961 16.925 0.105 1.00 0.00 H new ATOM 1491 N VAL A 98 -18.359 17.587 3.128 1.00 0.00 N ATOM 1492 CA VAL A 98 -18.141 18.635 4.116 1.00 0.00 C ATOM 1493 C VAL A 98 -17.263 18.129 5.257 1.00 0.00 C ATOM 1494 O VAL A 98 -16.462 18.878 5.816 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.472 19.160 4.702 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -19.216 20.329 5.644 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -20.429 19.570 3.592 1.00 0.00 C ATOM 0 H VAL A 98 -18.773 16.733 3.502 1.00 0.00 H new ATOM 0 HA VAL A 98 -17.640 19.454 3.600 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.935 18.353 5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.164 20.686 6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -18.573 20.003 6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -18.727 21.136 5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -21.358 19.936 4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.975 20.359 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -20.641 18.709 2.958 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.422 16.853 5.600 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.644 16.270 6.677 1.00 0.00 C ATOM 1509 C GLY A 99 -15.355 15.620 6.203 1.00 0.00 C ATOM 1510 O GLY A 99 -14.732 14.861 6.944 1.00 0.00 O ATOM 0 H GLY A 99 -18.077 16.213 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.406 17.046 7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.250 15.525 7.192 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.949 15.909 4.971 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.728 15.329 4.425 1.00 0.00 C ATOM 1516 C ILE A 100 -12.490 15.982 5.018 1.00 0.00 C ATOM 1517 O ILE A 100 -11.549 15.301 5.421 1.00 0.00 O ATOM 1518 CB ILE A 100 -13.660 15.461 2.891 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -15.020 15.158 2.259 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -12.593 14.529 2.340 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -15.054 15.387 0.765 1.00 0.00 C ATOM 0 H ILE A 100 -15.443 16.536 4.336 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.752 14.272 4.692 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.395 16.488 2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.285 14.121 2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.779 15.782 2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -12.550 14.627 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.625 14.791 2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.838 13.500 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -16.048 15.153 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.820 16.430 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.319 14.744 0.281 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.492 17.307 5.060 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.365 18.060 5.596 1.00 0.00 C ATOM 1535 C GLU A 101 -10.951 17.542 6.972 1.00 0.00 C ATOM 1536 O GLU A 101 -9.783 17.229 7.200 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.718 19.546 5.673 1.00 0.00 C ATOM 1538 CG GLU A 101 -10.804 20.429 4.840 1.00 0.00 C ATOM 1539 CD GLU A 101 -11.450 21.749 4.468 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -12.201 22.299 5.301 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -11.206 22.232 3.343 1.00 0.00 O ATOM 0 H GLU A 101 -13.264 17.885 4.728 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.519 17.926 4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.747 19.685 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.673 19.869 6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.886 20.622 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.521 19.898 3.931 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.912 17.456 7.884 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.639 16.979 9.234 1.00 0.00 C ATOM 1550 C ALA A 102 -11.240 15.503 9.242 1.00 0.00 C ATOM 1551 O ALA A 102 -10.295 15.113 9.927 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.850 17.210 10.126 1.00 0.00 C ATOM 0 H ALA A 102 -12.885 17.710 7.714 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.795 17.547 9.625 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.635 16.850 11.132 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.077 18.275 10.163 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.707 16.670 9.723 1.00 0.00 H new ATOM 1558 N LEU A 103 -11.963 14.686 8.478 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.680 13.252 8.404 1.00 0.00 C ATOM 1560 C LEU A 103 -10.315 12.993 7.781 1.00 0.00 C ATOM 1561 O LEU A 103 -9.563 12.137 8.248 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.759 12.532 7.590 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.902 11.033 7.880 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -13.830 10.797 9.065 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -13.408 10.301 6.645 1.00 0.00 C ATOM 0 H LEU A 103 -12.748 14.991 7.902 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.678 12.863 9.422 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.717 13.016 7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.540 12.662 6.530 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.920 10.637 8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.916 9.727 9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.423 11.288 9.949 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.815 11.207 8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.504 9.238 6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.380 10.702 6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.702 10.439 5.826 1.00 0.00 H new ATOM 1577 N GLN A 104 -9.999 13.736 6.723 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.722 13.584 6.031 1.00 0.00 C ATOM 1579 C GLN A 104 -7.568 13.553 7.028 1.00 0.00 C ATOM 1580 O GLN A 104 -6.699 12.685 6.959 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.523 14.729 5.038 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.569 14.395 3.902 1.00 0.00 C ATOM 1583 CD GLN A 104 -7.413 15.538 2.917 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -7.334 15.325 1.708 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -7.366 16.761 3.433 1.00 0.00 N ATOM 0 H GLN A 104 -10.610 14.450 6.326 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.736 12.639 5.489 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.490 15.006 4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.146 15.601 5.573 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.593 14.140 4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.932 13.513 3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.435 16.892 4.442 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -7.261 17.569 2.820 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.565 14.509 7.952 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.517 14.588 8.963 1.00 0.00 C ATOM 1596 C ASN A 105 -6.424 13.280 9.747 1.00 0.00 C ATOM 1597 O ASN A 105 -5.330 12.795 10.037 1.00 0.00 O ATOM 1598 CB ASN A 105 -6.789 15.752 9.921 1.00 0.00 C ATOM 1599 CG ASN A 105 -5.764 16.862 9.789 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -4.563 16.630 9.915 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -6.235 18.078 9.534 1.00 0.00 N ATOM 0 H ASN A 105 -8.275 15.238 8.021 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.567 14.759 8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.783 16.154 9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.790 15.382 10.946 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -5.592 18.864 9.435 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.240 18.226 9.437 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.579 12.716 10.088 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.629 11.468 10.843 1.00 0.00 C ATOM 1610 C LYS A 106 -7.052 10.308 10.035 1.00 0.00 C ATOM 1611 O LYS A 106 -6.310 9.481 10.566 1.00 0.00 O ATOM 1612 CB LYS A 106 -9.068 11.152 11.254 1.00 0.00 C ATOM 1613 CG LYS A 106 -9.173 10.490 12.618 1.00 0.00 C ATOM 1614 CD LYS A 106 -9.425 8.994 12.498 1.00 0.00 C ATOM 1615 CE LYS A 106 -10.138 8.445 13.726 1.00 0.00 C ATOM 1616 NZ LYS A 106 -9.422 7.278 14.316 1.00 0.00 N ATOM 0 H LYS A 106 -8.493 13.103 9.853 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.021 11.596 11.738 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.648 12.075 11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.517 10.499 10.506 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.253 10.661 13.177 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.981 10.951 13.185 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.025 8.796 11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.476 8.474 12.365 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.227 9.232 14.475 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.151 8.148 13.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.942 6.937 15.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.360 6.516 13.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.464 7.566 14.600 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.396 10.251 8.752 1.00 0.00 N ATOM 1631 CA ILE A 107 -6.908 9.188 7.880 1.00 0.00 C ATOM 1632 C ILE A 107 -5.383 9.205 7.797 1.00 0.00 C ATOM 1633 O ILE A 107 -4.731 8.173 7.953 1.00 0.00 O ATOM 1634 CB ILE A 107 -7.483 9.305 6.450 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -8.983 9.614 6.479 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -7.227 8.028 5.667 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -9.789 8.684 7.362 1.00 0.00 C ATOM 0 H ILE A 107 -8.009 10.926 8.294 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.244 8.249 8.320 1.00 0.00 H new ATOM 0 HB ILE A 107 -6.975 10.132 5.954 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -9.125 10.638 6.823 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.374 9.562 5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.639 8.128 4.663 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -6.154 7.849 5.603 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.705 7.189 6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -10.840 8.970 7.328 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.680 7.659 7.007 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.428 8.753 8.388 1.00 0.00 H new ATOM 1649 N LEU A 108 -4.822 10.386 7.551 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.373 10.539 7.443 1.00 0.00 C ATOM 1651 C LEU A 108 -2.684 10.179 8.755 1.00 0.00 C ATOM 1652 O LEU A 108 -1.616 9.567 8.759 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.017 11.976 7.048 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.069 12.267 5.547 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -2.918 13.759 5.288 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -1.987 11.484 4.818 1.00 0.00 C ATOM 0 H LEU A 108 -5.348 11.251 7.423 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.021 9.856 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.699 12.656 7.558 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.014 12.198 7.411 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.040 11.950 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.957 13.948 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.727 14.298 5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.961 14.102 5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.037 11.702 3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.008 11.772 5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.140 10.417 4.978 1.00 0.00 H new ATOM 1668 N THR A 109 -3.301 10.565 9.866 1.00 0.00 N ATOM 1669 CA THR A 109 -2.744 10.284 11.183 1.00 0.00 C ATOM 1670 C THR A 109 -2.497 8.788 11.362 1.00 0.00 C ATOM 1671 O THR A 109 -1.444 8.376 11.847 1.00 0.00 O ATOM 1672 CB THR A 109 -3.681 10.802 12.278 1.00 0.00 C ATOM 1673 OG1 THR A 109 -3.800 12.215 12.205 1.00 0.00 O ATOM 1674 CG2 THR A 109 -3.226 10.452 13.678 1.00 0.00 C ATOM 0 H THR A 109 -4.186 11.073 9.881 1.00 0.00 H new ATOM 0 HA THR A 109 -1.787 10.800 11.265 1.00 0.00 H new ATOM 0 HB THR A 109 -4.637 10.311 12.095 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.251 12.463 11.371 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.937 10.850 14.402 1.00 0.00 H new ATOM 0 HG22 THR A 109 -3.171 9.368 13.782 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.242 10.885 13.860 1.00 0.00 H new ATOM 1682 N ILE A 110 -3.475 7.978 10.968 1.00 0.00 N ATOM 1683 CA ILE A 110 -3.358 6.530 11.088 1.00 0.00 C ATOM 1684 C ILE A 110 -2.552 5.940 9.935 1.00 0.00 C ATOM 1685 O ILE A 110 -1.832 4.958 10.110 1.00 0.00 O ATOM 1686 CB ILE A 110 -4.741 5.850 11.138 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -5.647 6.555 12.153 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -4.593 4.376 11.483 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -5.031 6.683 13.531 1.00 0.00 C ATOM 0 H ILE A 110 -4.355 8.299 10.564 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.836 6.337 12.025 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.204 5.928 10.154 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -5.891 7.550 11.780 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -6.585 6.005 12.233 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.577 3.909 11.515 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -3.983 3.885 10.725 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.113 4.277 12.456 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -5.729 7.192 14.196 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.812 5.691 13.925 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -4.108 7.259 13.465 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.675 6.542 8.757 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.953 6.068 7.583 1.00 0.00 C ATOM 1703 C LEU A 111 -0.446 6.124 7.813 1.00 0.00 C ATOM 1704 O LEU A 111 0.305 5.310 7.275 1.00 0.00 O ATOM 1705 CB LEU A 111 -2.323 6.903 6.357 1.00 0.00 C ATOM 1706 CG LEU A 111 -3.601 6.472 5.637 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -3.973 7.488 4.568 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -3.434 5.088 5.024 1.00 0.00 C ATOM 0 H LEU A 111 -3.266 7.356 8.590 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.239 5.031 7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.432 7.943 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.496 6.865 5.648 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.408 6.425 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.885 7.168 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.137 8.461 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.164 7.564 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.355 4.801 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.614 5.105 4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.213 4.366 5.810 1.00 0.00 H new ATOM 1720 N GLN A 112 -0.011 7.089 8.616 1.00 0.00 N ATOM 1721 CA GLN A 112 1.406 7.250 8.919 1.00 0.00 C ATOM 1722 C GLN A 112 1.799 6.433 10.146 1.00 0.00 C ATOM 1723 O GLN A 112 2.947 6.009 10.279 1.00 0.00 O ATOM 1724 CB GLN A 112 1.735 8.727 9.149 1.00 0.00 C ATOM 1725 CG GLN A 112 1.285 9.632 8.014 1.00 0.00 C ATOM 1726 CD GLN A 112 2.361 9.829 6.963 1.00 0.00 C ATOM 1727 OE1 GLN A 112 3.212 10.708 7.087 1.00 0.00 O ATOM 1728 NE2 GLN A 112 2.326 9.007 5.920 1.00 0.00 N ATOM 0 H GLN A 112 -0.619 7.771 9.069 1.00 0.00 H new ATOM 0 HA GLN A 112 1.977 6.885 8.065 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.263 9.056 10.075 1.00 0.00 H new ATOM 0 HB3 GLN A 112 2.811 8.835 9.284 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.398 9.206 7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.997 10.602 8.420 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.601 8.292 5.858 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.024 9.091 5.181 1.00 0.00 H new ATOM 1737 N GLY A 113 0.838 6.215 11.039 1.00 0.00 N ATOM 1738 CA GLY A 113 1.105 5.448 12.241 1.00 0.00 C ATOM 1739 C GLY A 113 1.769 6.278 13.321 1.00 0.00 C ATOM 1740 O GLY A 113 3.018 6.322 13.353 1.00 0.00 O ATOM 1741 OXT GLY A 113 1.043 6.886 14.136 1.00 0.00 O ATOM 0 H GLY A 113 -0.119 6.556 10.951 1.00 0.00 H new ATOM 0 HA2 GLY A 113 0.169 5.040 12.624 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.744 4.601 11.993 1.00 0.00 H new