USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 444 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 90 THR OG1 : rot -14:sc= 1.22 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -172:sc= 0.851 (180deg=-0.198) USER MOD Set 2.1: A 52 GLN : amide:sc= 0.176 K(o=0.33,f=-0.53) USER MOD Set 2.2: A 71 ASN : amide:sc= 0.152 K(o=0.33,f=-2.3!) USER MOD Set 3.1: A 39 THR OG1 : rot -70:sc= 1.56 USER MOD Set 3.2: A 41 ASN : amide:sc= 0.051 X(o=1.6,f=1.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= 1.24 (180deg=0.52) USER MOD Single : A 50 MET CE :methyl -132:sc= -7.57! (180deg=-12.3!) USER MOD Single : A 51 THR OG1 : rot -140:sc= -0.964 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc=-0.000536 X(o=-0.00054,f=-0.19) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -126:sc= -2.23! (180deg=-4.32!) USER MOD Single : A 65 SER OG : rot 17:sc= 0.656 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0838 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 135:sc= 0.744 USER MOD Single : A 92 THR OG1 : rot -154:sc= -1.25 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0.594 K(o=0.59,f=-4.3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 98 SER OG : rot -27:sc= 0.171 USER MOD Single : A 102 THR OG1 : rot -46:sc= -0.329 USER MOD Single : A 103 ASN : amide:sc= -0.309 K(o=-0.31,f=-4.6!) USER MOD Single : A 106 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 334 N LEU A 38 -1.589 1.147 -2.019 1.00 0.00 N ATOM 335 CA LEU A 38 -1.869 0.627 -0.687 1.00 0.00 C ATOM 336 C LEU A 38 -1.156 1.478 0.358 1.00 0.00 C ATOM 337 O LEU A 38 -0.131 2.092 0.063 1.00 0.00 O ATOM 338 CB LEU A 38 -1.386 -0.816 -0.589 1.00 0.00 C ATOM 339 CG LEU A 38 -1.766 -1.557 0.688 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.892 -2.532 0.402 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.562 -2.273 1.271 1.00 0.00 C ATOM 0 HA LEU A 38 -2.943 0.661 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.782 -1.370 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.300 -0.823 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.112 -0.834 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.159 -3.058 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.760 -1.987 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.568 -3.252 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.855 -2.795 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.181 -2.993 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.216 -1.546 1.504 1.00 0.00 H new ATOM 353 N THR A 39 -1.697 1.517 1.565 1.00 0.00 N ATOM 354 CA THR A 39 -1.110 2.304 2.633 1.00 0.00 C ATOM 355 C THR A 39 -0.851 1.468 3.883 1.00 0.00 C ATOM 356 O THR A 39 -1.090 0.260 3.900 1.00 0.00 O ATOM 357 CB THR A 39 -2.002 3.502 3.013 1.00 0.00 C ATOM 358 OG1 THR A 39 -3.180 3.059 3.706 1.00 0.00 O ATOM 359 CG2 THR A 39 -2.407 4.268 1.770 1.00 0.00 C ATOM 0 H THR A 39 -2.543 1.011 1.828 1.00 0.00 H new ATOM 0 HA THR A 39 -0.158 2.670 2.248 1.00 0.00 H new ATOM 0 HB THR A 39 -1.429 4.155 3.671 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.773 2.594 3.079 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.037 5.112 2.052 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.515 4.635 1.262 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.961 3.609 1.101 1.00 0.00 H new ATOM 367 N ALA A 40 -0.385 2.130 4.936 1.00 0.00 N ATOM 368 CA ALA A 40 -0.101 1.466 6.207 1.00 0.00 C ATOM 369 C ALA A 40 -1.369 0.872 6.805 1.00 0.00 C ATOM 370 O ALA A 40 -1.353 -0.212 7.388 1.00 0.00 O ATOM 371 CB ALA A 40 0.508 2.455 7.185 1.00 0.00 C ATOM 0 H ALA A 40 -0.194 3.132 4.936 1.00 0.00 H new ATOM 0 HA ALA A 40 0.606 0.658 6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.716 1.952 8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.436 2.850 6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.191 3.274 7.357 1.00 0.00 H new ATOM 377 N ASN A 41 -2.465 1.600 6.645 1.00 0.00 N ATOM 378 CA ASN A 41 -3.763 1.191 7.171 1.00 0.00 C ATOM 379 C ASN A 41 -4.176 -0.140 6.579 1.00 0.00 C ATOM 380 O ASN A 41 -4.675 -1.028 7.271 1.00 0.00 O ATOM 381 CB ASN A 41 -4.812 2.238 6.819 1.00 0.00 C ATOM 382 CG ASN A 41 -4.447 3.611 7.311 1.00 0.00 C ATOM 383 OD1 ASN A 41 -4.699 3.976 8.459 1.00 0.00 O ATOM 384 ND2 ASN A 41 -3.869 4.391 6.427 1.00 0.00 N ATOM 0 H ASN A 41 -2.481 2.490 6.148 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.684 1.093 8.254 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.943 2.267 5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.770 1.945 7.248 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.609 5.344 6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.680 4.044 5.487 1.00 0.00 H new ATOM 391 N ASP A 42 -3.960 -0.256 5.284 1.00 0.00 N ATOM 392 CA ASP A 42 -4.282 -1.466 4.543 1.00 0.00 C ATOM 393 C ASP A 42 -3.367 -2.613 4.949 1.00 0.00 C ATOM 394 O ASP A 42 -3.755 -3.775 4.895 1.00 0.00 O ATOM 395 CB ASP A 42 -4.160 -1.213 3.046 1.00 0.00 C ATOM 396 CG ASP A 42 -4.971 -0.021 2.585 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.180 -0.191 2.308 1.00 0.00 O ATOM 398 OD2 ASP A 42 -4.399 1.087 2.511 1.00 0.00 O ATOM 0 H ASP A 42 -3.556 0.485 4.712 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.309 -1.744 4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.112 -1.053 2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.487 -2.101 2.504 1.00 0.00 H new ATOM 403 N VAL A 43 -2.149 -2.287 5.357 1.00 0.00 N ATOM 404 CA VAL A 43 -1.217 -3.295 5.854 1.00 0.00 C ATOM 405 C VAL A 43 -1.801 -4.007 7.074 1.00 0.00 C ATOM 406 O VAL A 43 -1.635 -5.214 7.248 1.00 0.00 O ATOM 407 CB VAL A 43 0.146 -2.680 6.229 1.00 0.00 C ATOM 408 CG1 VAL A 43 1.036 -3.730 6.852 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.825 -2.095 5.015 1.00 0.00 C ATOM 0 H VAL A 43 -1.781 -1.336 5.355 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.060 -4.012 5.048 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.029 -1.880 6.949 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.996 -3.285 7.113 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.561 -4.122 7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.194 -4.542 6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.785 -1.667 5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.986 -2.879 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.195 -1.315 4.586 1.00 0.00 H new ATOM 419 N SER A 44 -2.504 -3.246 7.896 1.00 0.00 N ATOM 420 CA SER A 44 -3.166 -3.772 9.086 1.00 0.00 C ATOM 421 C SER A 44 -4.217 -4.827 8.722 1.00 0.00 C ATOM 422 O SER A 44 -4.629 -5.628 9.562 1.00 0.00 O ATOM 423 CB SER A 44 -3.805 -2.619 9.855 1.00 0.00 C ATOM 424 OG SER A 44 -4.337 -3.040 11.099 1.00 0.00 O ATOM 0 H SER A 44 -2.634 -2.244 7.760 1.00 0.00 H new ATOM 0 HA SER A 44 -2.421 -4.261 9.714 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.062 -1.840 10.024 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.599 -2.177 9.252 1.00 0.00 H new ATOM 0 HG SER A 44 -4.735 -2.273 11.561 1.00 0.00 H new ATOM 430 N LYS A 45 -4.644 -4.821 7.465 1.00 0.00 N ATOM 431 CA LYS A 45 -5.617 -5.788 6.980 1.00 0.00 C ATOM 432 C LYS A 45 -4.995 -7.177 6.877 1.00 0.00 C ATOM 433 O LYS A 45 -5.616 -8.174 7.250 1.00 0.00 O ATOM 434 CB LYS A 45 -6.163 -5.361 5.625 1.00 0.00 C ATOM 435 CG LYS A 45 -6.845 -4.006 5.655 1.00 0.00 C ATOM 436 CD LYS A 45 -7.252 -3.569 4.262 1.00 0.00 C ATOM 437 CE LYS A 45 -8.279 -4.519 3.686 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.439 -4.338 2.218 1.00 0.00 N ATOM 0 H LYS A 45 -4.329 -4.153 6.761 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.439 -5.828 7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.346 -5.333 4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.873 -6.110 5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.725 -4.052 6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.172 -3.266 6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.661 -2.559 4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.376 -3.536 3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.981 -5.546 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.238 -4.359 4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.425 -4.530 1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.194 -3.361 1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.809 -4.996 1.716 1.00 0.00 H new ATOM 452 N ILE A 46 -3.767 -7.242 6.379 1.00 0.00 N ATOM 453 CA ILE A 46 -3.096 -8.512 6.216 1.00 0.00 C ATOM 454 C ILE A 46 -2.406 -8.963 7.485 1.00 0.00 C ATOM 455 O ILE A 46 -2.455 -8.298 8.521 1.00 0.00 O ATOM 456 CB ILE A 46 -2.059 -8.514 5.080 1.00 0.00 C ATOM 457 CG1 ILE A 46 -0.975 -7.455 5.281 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.749 -8.342 3.746 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.189 -7.637 4.331 1.00 0.00 C ATOM 0 H ILE A 46 -3.223 -6.431 6.084 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.896 -9.207 5.961 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.555 -9.480 5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.407 -6.465 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.613 -7.499 6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.006 -8.345 2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.451 -9.162 3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.289 -7.395 3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.932 -6.861 4.513 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.640 -8.616 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.166 -7.565 3.303 1.00 0.00 H new ATOM 471 N ARG A 47 -1.757 -10.108 7.377 1.00 0.00 N ATOM 472 CA ARG A 47 -1.114 -10.747 8.506 1.00 0.00 C ATOM 473 C ARG A 47 -0.294 -11.920 8.017 1.00 0.00 C ATOM 474 O ARG A 47 -0.597 -12.515 6.981 1.00 0.00 O ATOM 475 CB ARG A 47 -2.161 -11.230 9.521 1.00 0.00 C ATOM 476 CG ARG A 47 -3.024 -12.384 9.029 1.00 0.00 C ATOM 477 CD ARG A 47 -4.102 -11.928 8.056 1.00 0.00 C ATOM 478 NE ARG A 47 -5.058 -11.000 8.662 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.282 -11.350 9.055 1.00 0.00 C ATOM 480 NH1 ARG A 47 -6.657 -12.623 9.022 1.00 0.00 N ATOM 481 NH2 ARG A 47 -7.121 -10.428 9.509 1.00 0.00 N ATOM 0 H ARG A 47 -1.662 -10.621 6.500 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.464 -10.024 8.999 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.651 -11.537 10.434 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.809 -10.393 9.784 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.391 -13.127 8.544 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.492 -12.874 9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.631 -11.448 7.198 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.637 -12.800 7.680 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.771 -10.030 8.791 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.007 -13.338 8.695 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.595 -12.886 9.324 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.829 -9.452 9.557 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.058 -10.695 9.810 1.00 0.00 H new ATOM 495 N VAL A 48 0.746 -12.235 8.761 1.00 0.00 N ATOM 496 CA VAL A 48 1.633 -13.319 8.417 1.00 0.00 C ATOM 497 C VAL A 48 0.940 -14.648 8.670 1.00 0.00 C ATOM 498 O VAL A 48 0.146 -14.766 9.602 1.00 0.00 O ATOM 499 CB VAL A 48 2.920 -13.249 9.244 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.091 -13.788 8.446 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.181 -11.824 9.689 1.00 0.00 C ATOM 0 H VAL A 48 0.997 -11.745 9.620 1.00 0.00 H new ATOM 0 HA VAL A 48 1.890 -13.233 7.361 1.00 0.00 H new ATOM 0 HB VAL A 48 2.800 -13.869 10.133 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.998 -13.731 9.048 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.900 -14.826 8.175 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.218 -13.194 7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.099 -11.788 10.276 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.285 -11.183 8.814 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.347 -11.474 10.298 1.00 0.00 H new ATOM 511 N GLY A 49 1.229 -15.633 7.841 1.00 0.00 N ATOM 512 CA GLY A 49 0.585 -16.921 7.982 1.00 0.00 C ATOM 513 C GLY A 49 -0.232 -17.294 6.760 1.00 0.00 C ATOM 514 O GLY A 49 -0.372 -18.474 6.440 1.00 0.00 O ATOM 0 H GLY A 49 1.897 -15.567 7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.342 -17.686 8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.063 -16.907 8.859 1.00 0.00 H new ATOM 518 N MET A 50 -0.776 -16.297 6.069 1.00 0.00 N ATOM 519 CA MET A 50 -1.535 -16.567 4.856 1.00 0.00 C ATOM 520 C MET A 50 -0.637 -16.553 3.628 1.00 0.00 C ATOM 521 O MET A 50 0.566 -16.305 3.723 1.00 0.00 O ATOM 522 CB MET A 50 -2.722 -15.613 4.671 1.00 0.00 C ATOM 523 CG MET A 50 -2.417 -14.137 4.822 1.00 0.00 C ATOM 524 SD MET A 50 -3.859 -13.123 4.431 1.00 0.00 S ATOM 525 CE MET A 50 -3.162 -11.483 4.522 1.00 0.00 C ATOM 0 H MET A 50 -0.707 -15.312 6.323 1.00 0.00 H new ATOM 0 HA MET A 50 -1.949 -17.568 4.972 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.143 -15.777 3.679 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.493 -15.880 5.393 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.093 -13.933 5.843 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.591 -13.866 4.165 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.809 -10.845 5.124 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.174 -11.532 4.980 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.076 -11.068 3.518 1.00 0.00 H new ATOM 535 N THR A 51 -1.231 -16.826 2.478 1.00 0.00 N ATOM 536 CA THR A 51 -0.474 -17.045 1.257 1.00 0.00 C ATOM 537 C THR A 51 -0.357 -15.781 0.426 1.00 0.00 C ATOM 538 O THR A 51 -0.789 -14.701 0.840 1.00 0.00 O ATOM 539 CB THR A 51 -1.134 -18.114 0.377 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.360 -17.620 -0.165 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.424 -19.351 1.174 1.00 0.00 C ATOM 0 H THR A 51 -2.242 -16.902 2.365 1.00 0.00 H new ATOM 0 HA THR A 51 0.516 -17.370 1.576 1.00 0.00 H new ATOM 0 HB THR A 51 -0.443 -18.356 -0.430 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.034 -18.332 -0.152 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.892 -20.097 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.493 -19.751 1.576 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.098 -19.105 1.995 1.00 0.00 H new ATOM 549 N GLN A 52 0.214 -15.935 -0.758 1.00 0.00 N ATOM 550 CA GLN A 52 0.266 -14.866 -1.728 1.00 0.00 C ATOM 551 C GLN A 52 -1.134 -14.479 -2.180 1.00 0.00 C ATOM 552 O GLN A 52 -1.483 -13.299 -2.192 1.00 0.00 O ATOM 553 CB GLN A 52 1.095 -15.288 -2.933 1.00 0.00 C ATOM 554 CG GLN A 52 2.562 -15.504 -2.614 1.00 0.00 C ATOM 555 CD GLN A 52 3.380 -15.906 -3.824 1.00 0.00 C ATOM 556 OE1 GLN A 52 2.886 -16.565 -4.739 1.00 0.00 O ATOM 557 NE2 GLN A 52 4.640 -15.507 -3.833 1.00 0.00 N ATOM 0 H GLN A 52 0.651 -16.803 -1.068 1.00 0.00 H new ATOM 0 HA GLN A 52 0.732 -14.002 -1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.681 -16.209 -3.344 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.008 -14.526 -3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.975 -14.588 -2.192 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.652 -16.276 -1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.008 -14.962 -3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.244 -15.744 -4.620 1.00 0.00 H new ATOM 566 N GLN A 53 -1.951 -15.472 -2.519 1.00 0.00 N ATOM 567 CA GLN A 53 -3.279 -15.191 -3.052 1.00 0.00 C ATOM 568 C GLN A 53 -4.119 -14.504 -1.999 1.00 0.00 C ATOM 569 O GLN A 53 -4.908 -13.610 -2.295 1.00 0.00 O ATOM 570 CB GLN A 53 -3.980 -16.463 -3.527 1.00 0.00 C ATOM 571 CG GLN A 53 -4.169 -17.512 -2.461 1.00 0.00 C ATOM 572 CD GLN A 53 -5.220 -18.535 -2.828 1.00 0.00 C ATOM 573 OE1 GLN A 53 -4.922 -19.557 -3.446 1.00 0.00 O ATOM 574 NE2 GLN A 53 -6.458 -18.266 -2.445 1.00 0.00 N ATOM 0 H GLN A 53 -1.722 -16.462 -2.436 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.160 -14.535 -3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.956 -16.195 -3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.404 -16.895 -4.345 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.221 -18.019 -2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.451 -17.027 -1.526 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.658 -17.406 -1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.212 -18.919 -2.660 1.00 0.00 H new ATOM 583 N GLN A 54 -3.914 -14.927 -0.764 1.00 0.00 N ATOM 584 CA GLN A 54 -4.598 -14.340 0.373 1.00 0.00 C ATOM 585 C GLN A 54 -4.310 -12.844 0.450 1.00 0.00 C ATOM 586 O GLN A 54 -5.225 -12.024 0.512 1.00 0.00 O ATOM 587 CB GLN A 54 -4.138 -14.997 1.668 1.00 0.00 C ATOM 588 CG GLN A 54 -4.348 -16.498 1.730 1.00 0.00 C ATOM 589 CD GLN A 54 -5.539 -16.893 2.569 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.545 -16.190 2.612 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.401 -17.995 3.289 1.00 0.00 N ATOM 0 H GLN A 54 -3.273 -15.682 -0.523 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.668 -14.501 0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.078 -14.787 1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.668 -14.536 2.501 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.479 -16.883 0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.452 -16.968 2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.546 -18.546 3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.150 -18.293 3.914 1.00 0.00 H new ATOM 600 N VAL A 55 -3.026 -12.497 0.429 1.00 0.00 N ATOM 601 CA VAL A 55 -2.609 -11.116 0.551 1.00 0.00 C ATOM 602 C VAL A 55 -3.028 -10.295 -0.653 1.00 0.00 C ATOM 603 O VAL A 55 -3.487 -9.175 -0.501 1.00 0.00 O ATOM 604 CB VAL A 55 -1.090 -11.007 0.743 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.647 -9.552 0.717 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.699 -11.649 2.050 1.00 0.00 C ATOM 0 H VAL A 55 -2.259 -13.161 0.328 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.107 -10.716 1.434 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.594 -11.527 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.433 -9.498 0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.913 -9.108 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.143 -9.006 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.380 -11.571 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.205 -11.141 2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.988 -12.700 2.040 1.00 0.00 H new ATOM 616 N ALA A 56 -2.893 -10.848 -1.846 1.00 0.00 N ATOM 617 CA ALA A 56 -3.272 -10.115 -3.047 1.00 0.00 C ATOM 618 C ALA A 56 -4.770 -9.841 -3.061 1.00 0.00 C ATOM 619 O ALA A 56 -5.237 -8.901 -3.694 1.00 0.00 O ATOM 620 CB ALA A 56 -2.854 -10.858 -4.305 1.00 0.00 C ATOM 0 H ALA A 56 -2.530 -11.787 -2.011 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.745 -9.161 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.152 -10.284 -5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.772 -10.989 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.338 -11.834 -4.329 1.00 0.00 H new ATOM 626 N TYR A 57 -5.524 -10.680 -2.376 1.00 0.00 N ATOM 627 CA TYR A 57 -6.953 -10.480 -2.248 1.00 0.00 C ATOM 628 C TYR A 57 -7.276 -9.463 -1.154 1.00 0.00 C ATOM 629 O TYR A 57 -8.230 -8.694 -1.265 1.00 0.00 O ATOM 630 CB TYR A 57 -7.640 -11.813 -1.994 1.00 0.00 C ATOM 631 CG TYR A 57 -7.927 -12.567 -3.275 1.00 0.00 C ATOM 632 CD1 TYR A 57 -7.090 -12.437 -4.384 1.00 0.00 C ATOM 633 CD2 TYR A 57 -9.041 -13.390 -3.391 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.355 -13.105 -5.558 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.313 -14.061 -4.569 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.466 -13.914 -5.648 1.00 0.00 C ATOM 637 OH TYR A 57 -8.735 -14.575 -6.824 1.00 0.00 O ATOM 0 H TYR A 57 -5.168 -11.508 -1.899 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.334 -10.069 -3.183 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.011 -12.426 -1.348 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.574 -11.641 -1.459 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.219 -11.801 -4.320 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.705 -13.507 -2.547 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.694 -12.995 -6.405 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -10.183 -14.696 -4.644 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.553 -15.104 -6.722 1.00 0.00 H new ATOM 647 N ALA A 58 -6.480 -9.479 -0.090 1.00 0.00 N ATOM 648 CA ALA A 58 -6.647 -8.550 1.022 1.00 0.00 C ATOM 649 C ALA A 58 -6.115 -7.162 0.682 1.00 0.00 C ATOM 650 O ALA A 58 -6.761 -6.145 0.943 1.00 0.00 O ATOM 651 CB ALA A 58 -5.923 -9.080 2.247 1.00 0.00 C ATOM 0 H ALA A 58 -5.705 -10.132 0.026 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.715 -8.464 1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.051 -8.383 3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.336 -10.050 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.862 -9.188 2.024 1.00 0.00 H new ATOM 657 N LEU A 59 -4.927 -7.145 0.107 1.00 0.00 N ATOM 658 CA LEU A 59 -4.194 -5.921 -0.159 1.00 0.00 C ATOM 659 C LEU A 59 -4.476 -5.385 -1.555 1.00 0.00 C ATOM 660 O LEU A 59 -4.291 -4.202 -1.831 1.00 0.00 O ATOM 661 CB LEU A 59 -2.697 -6.213 -0.004 1.00 0.00 C ATOM 662 CG LEU A 59 -1.985 -5.429 1.084 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.874 -5.309 2.300 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.691 -6.116 1.443 1.00 0.00 C ATOM 0 H LEU A 59 -4.439 -7.989 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.514 -5.158 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.572 -7.277 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.205 -6.009 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.761 -4.427 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.356 -4.745 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.794 -4.791 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.115 -6.304 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.183 -5.550 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.901 -7.123 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.052 -6.172 0.562 1.00 0.00 H new ATOM 676 N GLY A 60 -4.940 -6.259 -2.427 1.00 0.00 N ATOM 677 CA GLY A 60 -5.087 -5.902 -3.816 1.00 0.00 C ATOM 678 C GLY A 60 -3.905 -6.390 -4.618 1.00 0.00 C ATOM 679 O GLY A 60 -2.760 -6.202 -4.212 1.00 0.00 O ATOM 0 H GLY A 60 -5.218 -7.213 -2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.006 -6.334 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.176 -4.820 -3.911 1.00 0.00 H new ATOM 683 N THR A 61 -4.178 -7.052 -5.731 1.00 0.00 N ATOM 684 CA THR A 61 -3.122 -7.594 -6.563 1.00 0.00 C ATOM 685 C THR A 61 -2.147 -6.499 -6.999 1.00 0.00 C ATOM 686 O THR A 61 -2.557 -5.409 -7.403 1.00 0.00 O ATOM 687 CB THR A 61 -3.708 -8.301 -7.790 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.602 -7.413 -8.475 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.452 -9.564 -7.374 1.00 0.00 C ATOM 0 H THR A 61 -5.122 -7.226 -6.077 1.00 0.00 H new ATOM 0 HA THR A 61 -2.572 -8.324 -5.969 1.00 0.00 H new ATOM 0 HB THR A 61 -2.893 -8.582 -8.456 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.975 -7.866 -9.260 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.861 -10.053 -8.258 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.764 -10.242 -6.870 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.264 -9.301 -6.696 1.00 0.00 H new ATOM 697 N PRO A 62 -0.845 -6.800 -6.909 1.00 0.00 N ATOM 698 CA PRO A 62 0.242 -5.830 -7.110 1.00 0.00 C ATOM 699 C PRO A 62 0.263 -5.154 -8.479 1.00 0.00 C ATOM 700 O PRO A 62 -0.451 -5.546 -9.400 1.00 0.00 O ATOM 701 CB PRO A 62 1.500 -6.672 -6.933 1.00 0.00 C ATOM 702 CG PRO A 62 1.067 -7.830 -6.111 1.00 0.00 C ATOM 703 CD PRO A 62 -0.323 -8.130 -6.576 1.00 0.00 C ATOM 0 HA PRO A 62 0.134 -4.998 -6.414 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.898 -6.996 -7.895 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.288 -6.106 -6.436 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.726 -8.686 -6.256 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.085 -7.590 -5.048 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.326 -8.794 -7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.914 -8.614 -5.799 1.00 0.00 H new ATOM 711 N LEU A 63 1.135 -4.161 -8.588 1.00 0.00 N ATOM 712 CA LEU A 63 1.282 -3.331 -9.783 1.00 0.00 C ATOM 713 C LEU A 63 1.551 -4.181 -11.015 1.00 0.00 C ATOM 714 O LEU A 63 1.013 -3.930 -12.098 1.00 0.00 O ATOM 715 CB LEU A 63 2.450 -2.394 -9.567 1.00 0.00 C ATOM 716 CG LEU A 63 2.517 -1.798 -8.170 1.00 0.00 C ATOM 717 CD1 LEU A 63 3.892 -1.220 -7.927 1.00 0.00 C ATOM 718 CD2 LEU A 63 1.427 -0.752 -7.996 1.00 0.00 C ATOM 0 H LEU A 63 1.774 -3.902 -7.836 1.00 0.00 H new ATOM 0 HA LEU A 63 0.357 -2.778 -9.946 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.376 -2.933 -9.765 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.391 -1.584 -10.294 1.00 0.00 H new ATOM 0 HG LEU A 63 2.345 -2.579 -7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.936 -0.794 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.639 -2.008 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.094 -0.441 -8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.484 -0.331 -6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.564 0.042 -8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.451 -1.216 -8.141 1.00 0.00 H new ATOM 730 N MET A 64 2.404 -5.185 -10.830 1.00 0.00 N ATOM 731 CA MET A 64 2.732 -6.155 -11.879 1.00 0.00 C ATOM 732 C MET A 64 1.504 -6.929 -12.368 1.00 0.00 C ATOM 733 O MET A 64 1.626 -7.789 -13.237 1.00 0.00 O ATOM 734 CB MET A 64 3.800 -7.146 -11.389 1.00 0.00 C ATOM 735 CG MET A 64 3.644 -7.582 -9.935 1.00 0.00 C ATOM 736 SD MET A 64 4.396 -6.420 -8.783 1.00 0.00 S ATOM 737 CE MET A 64 4.791 -7.534 -7.444 1.00 0.00 C ATOM 0 H MET A 64 2.890 -5.352 -9.949 1.00 0.00 H new ATOM 0 HA MET A 64 3.121 -5.581 -12.720 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.774 -8.031 -12.025 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.783 -6.692 -11.515 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.584 -7.686 -9.702 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.097 -8.565 -9.803 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.360 -7.156 -6.517 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.381 -8.521 -7.659 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.873 -7.606 -7.338 1.00 0.00 H new ATOM 747 N SER A 65 0.335 -6.634 -11.792 1.00 0.00 N ATOM 748 CA SER A 65 -0.952 -7.241 -12.172 1.00 0.00 C ATOM 749 C SER A 65 -0.956 -8.766 -12.025 1.00 0.00 C ATOM 750 O SER A 65 -1.934 -9.432 -12.371 1.00 0.00 O ATOM 751 CB SER A 65 -1.399 -6.805 -13.585 1.00 0.00 C ATOM 752 OG SER A 65 -0.400 -7.020 -14.572 1.00 0.00 O ATOM 0 H SER A 65 0.251 -5.955 -11.035 1.00 0.00 H new ATOM 0 HA SER A 65 -1.688 -6.861 -11.463 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.299 -7.354 -13.861 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.663 -5.748 -13.567 1.00 0.00 H new ATOM 0 HG SER A 65 0.272 -7.644 -14.227 1.00 0.00 H new ATOM 758 N ASP A 66 0.124 -9.303 -11.485 1.00 0.00 N ATOM 759 CA ASP A 66 0.219 -10.715 -11.171 1.00 0.00 C ATOM 760 C ASP A 66 1.140 -10.915 -9.983 1.00 0.00 C ATOM 761 O ASP A 66 2.361 -10.794 -10.087 1.00 0.00 O ATOM 762 CB ASP A 66 0.705 -11.535 -12.362 1.00 0.00 C ATOM 763 CG ASP A 66 1.065 -12.954 -11.966 1.00 0.00 C ATOM 764 OD1 ASP A 66 0.148 -13.730 -11.617 1.00 0.00 O ATOM 765 OD2 ASP A 66 2.266 -13.297 -11.996 1.00 0.00 O ATOM 0 H ASP A 66 0.961 -8.769 -11.252 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.781 -11.069 -10.922 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.071 -11.558 -13.127 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.575 -11.050 -12.805 1.00 0.00 H new ATOM 770 N PRO A 67 0.537 -11.169 -8.828 1.00 0.00 N ATOM 771 CA PRO A 67 1.262 -11.376 -7.572 1.00 0.00 C ATOM 772 C PRO A 67 2.079 -12.667 -7.555 1.00 0.00 C ATOM 773 O PRO A 67 3.156 -12.718 -6.962 1.00 0.00 O ATOM 774 CB PRO A 67 0.138 -11.454 -6.530 1.00 0.00 C ATOM 775 CG PRO A 67 -1.087 -11.842 -7.293 1.00 0.00 C ATOM 776 CD PRO A 67 -0.921 -11.251 -8.662 1.00 0.00 C ATOM 0 HA PRO A 67 1.989 -10.584 -7.396 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.369 -12.188 -5.758 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.001 -10.496 -6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.188 -12.926 -7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.986 -11.461 -6.809 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.377 -11.879 -9.428 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.389 -10.269 -8.734 1.00 0.00 H new ATOM 784 N PHE A 68 1.576 -13.692 -8.232 1.00 0.00 N ATOM 785 CA PHE A 68 2.139 -15.032 -8.148 1.00 0.00 C ATOM 786 C PHE A 68 3.432 -15.175 -8.949 1.00 0.00 C ATOM 787 O PHE A 68 3.991 -16.271 -9.043 1.00 0.00 O ATOM 788 CB PHE A 68 1.108 -16.043 -8.646 1.00 0.00 C ATOM 789 CG PHE A 68 -0.255 -15.847 -8.047 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.408 -15.689 -6.682 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.380 -15.804 -8.855 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.658 -15.498 -6.130 1.00 0.00 C ATOM 793 CE2 PHE A 68 -2.634 -15.611 -8.308 1.00 0.00 C ATOM 794 CZ PHE A 68 -2.773 -15.460 -6.944 1.00 0.00 C ATOM 0 H PHE A 68 0.770 -13.618 -8.852 1.00 0.00 H new ATOM 0 HA PHE A 68 2.387 -15.222 -7.104 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.034 -15.971 -9.731 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.457 -17.050 -8.416 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.461 -15.715 -6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.275 -15.923 -9.923 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.764 -15.378 -5.062 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.504 -15.578 -8.947 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.752 -15.312 -6.513 1.00 0.00 H new ATOM 804 N GLY A 69 3.907 -14.078 -9.517 1.00 0.00 N ATOM 805 CA GLY A 69 5.116 -14.123 -10.311 1.00 0.00 C ATOM 806 C GLY A 69 6.346 -13.798 -9.493 1.00 0.00 C ATOM 807 O GLY A 69 7.458 -14.200 -9.835 1.00 0.00 O ATOM 0 H GLY A 69 3.476 -13.156 -9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.224 -15.115 -10.750 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.033 -13.417 -11.137 1.00 0.00 H new ATOM 811 N THR A 70 6.148 -13.063 -8.415 1.00 0.00 N ATOM 812 CA THR A 70 7.243 -12.658 -7.557 1.00 0.00 C ATOM 813 C THR A 70 6.967 -13.078 -6.114 1.00 0.00 C ATOM 814 O THR A 70 5.881 -13.564 -5.793 1.00 0.00 O ATOM 815 CB THR A 70 7.457 -11.131 -7.612 1.00 0.00 C ATOM 816 OG1 THR A 70 8.675 -10.772 -6.941 1.00 0.00 O ATOM 817 CG2 THR A 70 6.297 -10.419 -6.951 1.00 0.00 C ATOM 0 H THR A 70 5.232 -12.733 -8.112 1.00 0.00 H new ATOM 0 HA THR A 70 8.147 -13.151 -7.916 1.00 0.00 H new ATOM 0 HB THR A 70 7.521 -10.831 -8.658 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.799 -9.801 -6.985 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.458 -9.342 -6.995 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.372 -10.669 -7.471 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.224 -10.732 -5.910 1.00 0.00 H new ATOM 825 N ASN A 71 7.950 -12.865 -5.254 1.00 0.00 N ATOM 826 CA ASN A 71 7.823 -13.161 -3.831 1.00 0.00 C ATOM 827 C ASN A 71 8.164 -11.922 -3.012 1.00 0.00 C ATOM 828 O ASN A 71 8.372 -12.000 -1.799 1.00 0.00 O ATOM 829 CB ASN A 71 8.743 -14.322 -3.416 1.00 0.00 C ATOM 830 CG ASN A 71 8.157 -15.700 -3.685 1.00 0.00 C ATOM 831 OD1 ASN A 71 7.409 -15.909 -4.641 1.00 0.00 O ATOM 832 ND2 ASN A 71 8.488 -16.651 -2.824 1.00 0.00 N ATOM 0 H ASN A 71 8.858 -12.483 -5.519 1.00 0.00 H new ATOM 0 HA ASN A 71 6.792 -13.457 -3.640 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.690 -14.230 -3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.965 -14.234 -2.353 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.120 -17.595 -2.941 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.111 -16.439 -2.044 1.00 0.00 H new ATOM 839 N THR A 72 8.247 -10.786 -3.691 1.00 0.00 N ATOM 840 CA THR A 72 8.561 -9.527 -3.051 1.00 0.00 C ATOM 841 C THR A 72 7.603 -8.440 -3.528 1.00 0.00 C ATOM 842 O THR A 72 7.666 -8.001 -4.676 1.00 0.00 O ATOM 843 CB THR A 72 10.001 -9.113 -3.364 1.00 0.00 C ATOM 844 OG1 THR A 72 10.867 -10.252 -3.235 1.00 0.00 O ATOM 845 CG2 THR A 72 10.444 -8.031 -2.408 1.00 0.00 C ATOM 0 H THR A 72 8.098 -10.717 -4.698 1.00 0.00 H new ATOM 0 HA THR A 72 8.454 -9.654 -1.974 1.00 0.00 H new ATOM 0 HB THR A 72 10.050 -8.731 -4.384 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.789 -9.987 -3.437 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.470 -7.741 -2.636 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.791 -7.165 -2.511 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.392 -8.405 -1.386 1.00 0.00 H new ATOM 853 N TRP A 73 6.710 -8.021 -2.646 1.00 0.00 N ATOM 854 CA TRP A 73 5.665 -7.071 -3.009 1.00 0.00 C ATOM 855 C TRP A 73 5.932 -5.715 -2.365 1.00 0.00 C ATOM 856 O TRP A 73 6.192 -5.640 -1.166 1.00 0.00 O ATOM 857 CB TRP A 73 4.295 -7.616 -2.578 1.00 0.00 C ATOM 858 CG TRP A 73 3.930 -8.911 -3.243 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.647 -9.580 -4.192 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.756 -9.691 -3.011 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.995 -10.729 -4.557 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.835 -10.824 -3.845 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.651 -9.551 -2.175 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.848 -11.797 -3.868 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.671 -10.519 -2.202 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.780 -11.632 -3.040 1.00 0.00 C ATOM 0 H TRP A 73 6.686 -8.323 -1.672 1.00 0.00 H new ATOM 0 HA TRP A 73 5.665 -6.938 -4.091 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.293 -7.758 -1.497 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.530 -6.873 -2.803 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.593 -9.251 -4.597 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.323 -11.403 -5.248 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.564 -8.699 -1.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.924 -12.655 -4.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.195 -10.416 -1.565 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.001 -12.378 -3.031 1.00 0.00 H new ATOM 877 N PHE A 74 5.879 -4.650 -3.162 1.00 0.00 N ATOM 878 CA PHE A 74 6.190 -3.311 -2.667 1.00 0.00 C ATOM 879 C PHE A 74 4.934 -2.454 -2.588 1.00 0.00 C ATOM 880 O PHE A 74 4.252 -2.234 -3.589 1.00 0.00 O ATOM 881 CB PHE A 74 7.213 -2.613 -3.569 1.00 0.00 C ATOM 882 CG PHE A 74 8.337 -3.503 -4.019 1.00 0.00 C ATOM 883 CD1 PHE A 74 9.314 -3.919 -3.131 1.00 0.00 C ATOM 884 CD2 PHE A 74 8.406 -3.932 -5.335 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.340 -4.746 -3.548 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.428 -4.761 -5.757 1.00 0.00 C ATOM 887 CZ PHE A 74 10.396 -5.168 -4.862 1.00 0.00 C ATOM 0 H PHE A 74 5.625 -4.688 -4.149 1.00 0.00 H new ATOM 0 HA PHE A 74 6.612 -3.427 -1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.700 -2.220 -4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.630 -1.759 -3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.274 -3.594 -2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.652 -3.614 -6.040 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.098 -5.062 -2.846 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.469 -5.090 -6.785 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.196 -5.816 -5.188 1.00 0.00 H new ATOM 897 N TYR A 75 4.638 -1.982 -1.391 1.00 0.00 N ATOM 898 CA TYR A 75 3.525 -1.074 -1.162 1.00 0.00 C ATOM 899 C TYR A 75 4.033 0.123 -0.374 1.00 0.00 C ATOM 900 O TYR A 75 5.186 0.130 0.052 1.00 0.00 O ATOM 901 CB TYR A 75 2.412 -1.779 -0.392 1.00 0.00 C ATOM 902 CG TYR A 75 1.964 -3.072 -1.019 1.00 0.00 C ATOM 903 CD1 TYR A 75 1.319 -3.098 -2.248 1.00 0.00 C ATOM 904 CD2 TYR A 75 2.189 -4.269 -0.370 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.913 -4.291 -2.811 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.789 -5.469 -0.919 1.00 0.00 C ATOM 907 CZ TYR A 75 1.150 -5.473 -2.143 1.00 0.00 C ATOM 908 OH TYR A 75 0.747 -6.661 -2.701 1.00 0.00 O ATOM 0 H TYR A 75 5.162 -2.217 -0.548 1.00 0.00 H new ATOM 0 HA TYR A 75 3.117 -0.744 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.755 -1.978 0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.556 -1.108 -0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.132 -2.172 -2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.689 -4.266 0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.413 -4.298 -3.768 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.974 -6.396 -0.397 1.00 0.00 H new ATOM 0 HH TYR A 75 1.464 -7.323 -2.614 1.00 0.00 H new ATOM 918 N VAL A 76 3.197 1.128 -0.169 1.00 0.00 N ATOM 919 CA VAL A 76 3.640 2.336 0.514 1.00 0.00 C ATOM 920 C VAL A 76 2.746 2.578 1.725 1.00 0.00 C ATOM 921 O VAL A 76 1.801 1.829 1.960 1.00 0.00 O ATOM 922 CB VAL A 76 3.621 3.571 -0.435 1.00 0.00 C ATOM 923 CG1 VAL A 76 4.490 4.704 0.104 1.00 0.00 C ATOM 924 CG2 VAL A 76 4.071 3.191 -1.841 1.00 0.00 C ATOM 0 H VAL A 76 2.220 1.134 -0.461 1.00 0.00 H new ATOM 0 HA VAL A 76 4.671 2.196 0.838 1.00 0.00 H new ATOM 0 HB VAL A 76 2.591 3.923 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.453 5.549 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.119 5.014 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.519 4.359 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.048 4.073 -2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.086 2.796 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.401 2.432 -2.245 1.00 0.00 H new ATOM 934 N PHE A 77 3.067 3.584 2.517 1.00 0.00 N ATOM 935 CA PHE A 77 2.244 3.946 3.653 1.00 0.00 C ATOM 936 C PHE A 77 1.321 5.104 3.302 1.00 0.00 C ATOM 937 O PHE A 77 1.315 5.591 2.171 1.00 0.00 O ATOM 938 CB PHE A 77 3.112 4.296 4.866 1.00 0.00 C ATOM 939 CG PHE A 77 3.568 3.092 5.649 1.00 0.00 C ATOM 940 CD1 PHE A 77 3.505 1.819 5.099 1.00 0.00 C ATOM 941 CD2 PHE A 77 4.037 3.230 6.946 1.00 0.00 C ATOM 942 CE1 PHE A 77 3.904 0.713 5.823 1.00 0.00 C ATOM 943 CE2 PHE A 77 4.435 2.126 7.676 1.00 0.00 C ATOM 944 CZ PHE A 77 4.369 0.867 7.113 1.00 0.00 C ATOM 0 H PHE A 77 3.895 4.166 2.393 1.00 0.00 H new ATOM 0 HA PHE A 77 1.629 3.085 3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.987 4.852 4.528 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.550 4.957 5.526 1.00 0.00 H new ATOM 0 HD1 PHE A 77 3.139 1.692 4.091 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.092 4.212 7.392 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.852 -0.271 5.380 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.797 2.248 8.686 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.681 0.004 7.682 1.00 0.00 H new ATOM 1137 N THR A 90 7.584 2.002 3.272 1.00 0.00 N ATOM 1138 CA THR A 90 7.107 1.051 2.291 1.00 0.00 C ATOM 1139 C THR A 90 6.902 -0.325 2.902 1.00 0.00 C ATOM 1140 O THR A 90 7.663 -0.749 3.776 1.00 0.00 O ATOM 1141 CB THR A 90 8.103 0.935 1.121 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.452 1.054 1.603 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.834 1.980 0.066 1.00 0.00 C ATOM 0 HA THR A 90 6.149 1.420 1.926 1.00 0.00 H new ATOM 0 HB THR A 90 7.972 -0.046 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.443 1.403 2.519 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.554 1.871 -0.746 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.824 1.851 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.929 2.973 0.505 1.00 0.00 H new ATOM 1151 N LEU A 91 5.869 -1.013 2.445 1.00 0.00 N ATOM 1152 CA LEU A 91 5.652 -2.391 2.828 1.00 0.00 C ATOM 1153 C LEU A 91 6.324 -3.298 1.816 1.00 0.00 C ATOM 1154 O LEU A 91 6.053 -3.213 0.620 1.00 0.00 O ATOM 1155 CB LEU A 91 4.159 -2.734 2.902 1.00 0.00 C ATOM 1156 CG LEU A 91 3.872 -4.136 3.436 1.00 0.00 C ATOM 1157 CD1 LEU A 91 4.294 -4.231 4.885 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.411 -4.522 3.303 1.00 0.00 C ATOM 0 H LEU A 91 5.168 -0.636 1.807 1.00 0.00 H new ATOM 0 HA LEU A 91 6.079 -2.538 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.660 -2.004 3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.725 -2.639 1.907 1.00 0.00 H new ATOM 0 HG LEU A 91 4.449 -4.835 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.086 -5.233 5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.362 -4.027 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.739 -3.501 5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.263 -5.527 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.796 -3.818 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.123 -4.499 2.252 1.00 0.00 H new ATOM 1170 N THR A 92 7.213 -4.142 2.287 1.00 0.00 N ATOM 1171 CA THR A 92 7.862 -5.108 1.433 1.00 0.00 C ATOM 1172 C THR A 92 7.502 -6.499 1.904 1.00 0.00 C ATOM 1173 O THR A 92 8.001 -6.976 2.921 1.00 0.00 O ATOM 1174 CB THR A 92 9.389 -4.929 1.423 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.714 -3.599 0.994 1.00 0.00 O ATOM 1176 CG2 THR A 92 10.039 -5.944 0.495 1.00 0.00 C ATOM 0 H THR A 92 7.504 -4.178 3.264 1.00 0.00 H new ATOM 0 HA THR A 92 7.514 -4.955 0.411 1.00 0.00 H new ATOM 0 HB THR A 92 9.768 -5.089 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.609 -3.593 0.596 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.120 -5.802 0.501 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.803 -6.952 0.836 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.660 -5.806 -0.518 1.00 0.00 H new ATOM 1184 N LEU A 93 6.612 -7.141 1.184 1.00 0.00 N ATOM 1185 CA LEU A 93 6.115 -8.421 1.616 1.00 0.00 C ATOM 1186 C LEU A 93 7.045 -9.528 1.158 1.00 0.00 C ATOM 1187 O LEU A 93 7.363 -9.635 -0.025 1.00 0.00 O ATOM 1188 CB LEU A 93 4.696 -8.663 1.114 1.00 0.00 C ATOM 1189 CG LEU A 93 3.850 -9.454 2.075 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.636 -8.645 3.337 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.531 -9.823 1.457 1.00 0.00 C ATOM 0 H LEU A 93 6.222 -6.800 0.305 1.00 0.00 H new ATOM 0 HA LEU A 93 6.083 -8.422 2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.217 -7.703 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.740 -9.190 0.161 1.00 0.00 H new ATOM 0 HG LEU A 93 4.370 -10.380 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.023 -9.215 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.600 -8.425 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.130 -7.712 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.940 -10.394 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.991 -8.917 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.703 -10.427 0.566 1.00 0.00 H new ATOM 1203 N THR A 94 7.495 -10.330 2.110 1.00 0.00 N ATOM 1204 CA THR A 94 8.421 -11.389 1.851 1.00 0.00 C ATOM 1205 C THR A 94 7.718 -12.739 1.941 1.00 0.00 C ATOM 1206 O THR A 94 7.111 -13.071 2.970 1.00 0.00 O ATOM 1207 CB THR A 94 9.570 -11.315 2.863 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.380 -10.162 2.601 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.402 -12.569 2.811 1.00 0.00 C ATOM 0 H THR A 94 7.217 -10.253 3.088 1.00 0.00 H new ATOM 0 HA THR A 94 8.823 -11.281 0.843 1.00 0.00 H new ATOM 0 HB THR A 94 9.150 -11.228 3.865 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.111 -10.121 3.253 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.213 -12.498 3.536 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.777 -13.430 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.819 -12.688 1.811 1.00 0.00 H new ATOM 1217 N PHE A 95 7.791 -13.503 0.857 1.00 0.00 N ATOM 1218 CA PHE A 95 7.092 -14.774 0.773 1.00 0.00 C ATOM 1219 C PHE A 95 8.036 -15.964 0.786 1.00 0.00 C ATOM 1220 O PHE A 95 9.155 -15.914 0.269 1.00 0.00 O ATOM 1221 CB PHE A 95 6.213 -14.821 -0.472 1.00 0.00 C ATOM 1222 CG PHE A 95 4.904 -14.133 -0.277 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.925 -14.738 0.478 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.652 -12.894 -0.831 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.712 -14.131 0.682 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.435 -12.276 -0.629 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.464 -12.900 0.129 1.00 0.00 C ATOM 0 H PHE A 95 8.329 -13.261 0.025 1.00 0.00 H new ATOM 0 HA PHE A 95 6.468 -14.846 1.663 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.743 -14.357 -1.304 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.035 -15.860 -0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.115 -15.706 0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.411 -12.406 -1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.954 -14.620 1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.242 -11.306 -1.063 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.510 -12.419 0.287 1.00 0.00 H new ATOM 1237 N ASN A 96 7.539 -17.028 1.391 1.00 0.00 N ATOM 1238 CA ASN A 96 8.260 -18.278 1.550 1.00 0.00 C ATOM 1239 C ASN A 96 8.339 -19.040 0.231 1.00 0.00 C ATOM 1240 O ASN A 96 7.798 -18.591 -0.779 1.00 0.00 O ATOM 1241 CB ASN A 96 7.515 -19.124 2.575 1.00 0.00 C ATOM 1242 CG ASN A 96 8.397 -20.002 3.408 1.00 0.00 C ATOM 1243 OD1 ASN A 96 9.504 -20.370 3.022 1.00 0.00 O ATOM 1244 ND2 ASN A 96 7.870 -20.375 4.549 1.00 0.00 N ATOM 0 H ASN A 96 6.602 -17.047 1.794 1.00 0.00 H new ATOM 0 HA ASN A 96 9.278 -18.067 1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 96 6.953 -18.463 3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.788 -19.748 2.055 1.00 0.00 H new ATOM 0 HD21 ASN A 96 8.384 -21.003 5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.946 -20.038 4.818 1.00 0.00 H new ATOM 1251 N SER A 97 8.970 -20.206 0.253 1.00 0.00 N ATOM 1252 CA SER A 97 9.089 -21.043 -0.937 1.00 0.00 C ATOM 1253 C SER A 97 7.715 -21.435 -1.490 1.00 0.00 C ATOM 1254 O SER A 97 7.483 -21.376 -2.700 1.00 0.00 O ATOM 1255 CB SER A 97 9.914 -22.288 -0.607 1.00 0.00 C ATOM 1256 OG SER A 97 9.574 -22.799 0.673 1.00 0.00 O ATOM 0 H SER A 97 9.410 -20.597 1.086 1.00 0.00 H new ATOM 0 HA SER A 97 9.597 -20.469 -1.712 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.744 -23.053 -1.365 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.976 -22.043 -0.634 1.00 0.00 H new ATOM 0 HG SER A 97 10.113 -23.595 0.861 1.00 0.00 H new ATOM 1262 N SER A 98 6.795 -21.804 -0.599 1.00 0.00 N ATOM 1263 CA SER A 98 5.455 -22.216 -1.009 1.00 0.00 C ATOM 1264 C SER A 98 4.596 -20.996 -1.356 1.00 0.00 C ATOM 1265 O SER A 98 3.496 -21.128 -1.894 1.00 0.00 O ATOM 1266 CB SER A 98 4.793 -23.032 0.112 1.00 0.00 C ATOM 1267 OG SER A 98 3.510 -23.512 -0.267 1.00 0.00 O ATOM 0 H SER A 98 6.953 -21.826 0.408 1.00 0.00 H new ATOM 0 HA SER A 98 5.539 -22.838 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.433 -23.875 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.700 -22.413 1.005 1.00 0.00 H new ATOM 0 HG SER A 98 3.119 -22.909 -0.933 1.00 0.00 H new ATOM 1273 N GLY A 99 5.115 -19.810 -1.067 1.00 0.00 N ATOM 1274 CA GLY A 99 4.352 -18.597 -1.280 1.00 0.00 C ATOM 1275 C GLY A 99 3.564 -18.216 -0.048 1.00 0.00 C ATOM 1276 O GLY A 99 2.480 -17.639 -0.139 1.00 0.00 O ATOM 0 H GLY A 99 6.051 -19.667 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.027 -17.784 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.671 -18.737 -2.120 1.00 0.00 H new ATOM 1280 N VAL A 100 4.110 -18.555 1.108 1.00 0.00 N ATOM 1281 CA VAL A 100 3.473 -18.258 2.376 1.00 0.00 C ATOM 1282 C VAL A 100 4.123 -17.032 2.997 1.00 0.00 C ATOM 1283 O VAL A 100 5.332 -16.848 2.874 1.00 0.00 O ATOM 1284 CB VAL A 100 3.612 -19.454 3.338 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.796 -19.241 4.602 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.212 -20.747 2.643 1.00 0.00 C ATOM 0 H VAL A 100 5.003 -19.041 1.192 1.00 0.00 H new ATOM 0 HA VAL A 100 2.415 -18.065 2.201 1.00 0.00 H new ATOM 0 HB VAL A 100 4.659 -19.532 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.914 -20.101 5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.143 -18.343 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.744 -19.126 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.316 -21.581 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.175 -20.677 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.857 -20.911 1.780 1.00 0.00 H new ATOM 1296 N LEU A 101 3.331 -16.177 3.625 1.00 0.00 N ATOM 1297 CA LEU A 101 3.865 -15.007 4.285 1.00 0.00 C ATOM 1298 C LEU A 101 4.801 -15.381 5.406 1.00 0.00 C ATOM 1299 O LEU A 101 4.433 -16.115 6.323 1.00 0.00 O ATOM 1300 CB LEU A 101 2.748 -14.136 4.823 1.00 0.00 C ATOM 1301 CG LEU A 101 2.444 -12.930 3.964 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.410 -12.056 4.635 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.713 -12.152 3.697 1.00 0.00 C ATOM 0 H LEU A 101 2.318 -16.275 3.689 1.00 0.00 H new ATOM 0 HA LEU A 101 4.429 -14.447 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.845 -14.739 4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.014 -13.799 5.825 1.00 0.00 H new ATOM 0 HG LEU A 101 2.038 -13.267 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.201 -11.191 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.493 -12.626 4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.789 -11.719 5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.485 -11.285 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.142 -11.820 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.429 -12.790 3.178 1.00 0.00 H new ATOM 1315 N THR A 102 6.005 -14.865 5.319 1.00 0.00 N ATOM 1316 CA THR A 102 7.001 -15.093 6.342 1.00 0.00 C ATOM 1317 C THR A 102 7.281 -13.803 7.074 1.00 0.00 C ATOM 1318 O THR A 102 7.357 -13.763 8.305 1.00 0.00 O ATOM 1319 CB THR A 102 8.304 -15.636 5.743 1.00 0.00 C ATOM 1320 OG1 THR A 102 8.846 -14.707 4.797 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.027 -16.942 5.055 1.00 0.00 C ATOM 0 H THR A 102 6.321 -14.280 4.545 1.00 0.00 H new ATOM 0 HA THR A 102 6.609 -15.837 7.035 1.00 0.00 H new ATOM 0 HB THR A 102 9.027 -15.783 6.545 1.00 0.00 H new ATOM 0 HG1 THR A 102 8.132 -14.388 4.206 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.951 -17.331 4.628 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.632 -17.657 5.777 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.297 -16.787 4.261 1.00 0.00 H new ATOM 1329 N ASN A 103 7.404 -12.737 6.301 1.00 0.00 N ATOM 1330 CA ASN A 103 7.666 -11.420 6.875 1.00 0.00 C ATOM 1331 C ASN A 103 6.810 -10.345 6.233 1.00 0.00 C ATOM 1332 O ASN A 103 6.451 -10.418 5.057 1.00 0.00 O ATOM 1333 CB ASN A 103 9.125 -10.975 6.711 1.00 0.00 C ATOM 1334 CG ASN A 103 10.153 -11.784 7.490 1.00 0.00 C ATOM 1335 OD1 ASN A 103 10.044 -12.999 7.652 1.00 0.00 O ATOM 1336 ND2 ASN A 103 11.165 -11.096 7.995 1.00 0.00 N ATOM 0 H ASN A 103 7.328 -12.752 5.284 1.00 0.00 H new ATOM 0 HA ASN A 103 7.429 -11.531 7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.382 -11.018 5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.204 -9.932 7.016 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.885 -11.573 8.538 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.224 -10.089 7.841 1.00 0.00 H new ATOM 1343 N ILE A 104 6.514 -9.338 7.032 1.00 0.00 N ATOM 1344 CA ILE A 104 5.886 -8.117 6.558 1.00 0.00 C ATOM 1345 C ILE A 104 6.878 -6.987 6.798 1.00 0.00 C ATOM 1346 O ILE A 104 6.902 -6.393 7.876 1.00 0.00 O ATOM 1347 CB ILE A 104 4.578 -7.781 7.326 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.834 -9.045 7.781 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.664 -6.911 6.470 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.172 -9.837 6.672 1.00 0.00 C ATOM 0 H ILE A 104 6.703 -9.343 8.034 1.00 0.00 H new ATOM 0 HA ILE A 104 5.626 -8.244 5.507 1.00 0.00 H new ATOM 0 HB ILE A 104 4.863 -7.228 8.221 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.538 -9.695 8.300 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.072 -8.758 8.506 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.753 -6.686 7.024 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.176 -5.982 6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.409 -7.443 5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.674 -10.709 7.095 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.438 -9.210 6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.927 -10.162 5.956 1.00 0.00 H new ATOM 1362 N ASP A 105 7.696 -6.689 5.803 1.00 0.00 N ATOM 1363 CA ASP A 105 8.806 -5.767 6.001 1.00 0.00 C ATOM 1364 C ASP A 105 8.369 -4.332 5.774 1.00 0.00 C ATOM 1365 O ASP A 105 8.309 -3.859 4.645 1.00 0.00 O ATOM 1366 CB ASP A 105 9.961 -6.118 5.064 1.00 0.00 C ATOM 1367 CG ASP A 105 11.250 -5.417 5.437 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.611 -5.426 6.634 1.00 0.00 O ATOM 1369 OD2 ASP A 105 11.915 -4.872 4.539 1.00 0.00 O ATOM 0 H ASP A 105 7.616 -7.066 4.859 1.00 0.00 H new ATOM 0 HA ASP A 105 9.144 -5.862 7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.121 -7.196 5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.689 -5.851 4.043 1.00 0.00 H new ATOM 1374 N ASN A 106 8.051 -3.647 6.852 1.00 0.00 N ATOM 1375 CA ASN A 106 7.645 -2.263 6.778 1.00 0.00 C ATOM 1376 C ASN A 106 8.752 -1.359 7.298 1.00 0.00 C ATOM 1377 O ASN A 106 9.018 -1.276 8.497 1.00 0.00 O ATOM 1378 CB ASN A 106 6.332 -2.051 7.534 1.00 0.00 C ATOM 1379 CG ASN A 106 6.341 -2.590 8.955 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.661 -1.878 9.904 1.00 0.00 O ATOM 1381 ND2 ASN A 106 5.980 -3.857 9.115 1.00 0.00 N ATOM 0 H ASN A 106 8.067 -4.032 7.797 1.00 0.00 H new ATOM 0 HA ASN A 106 7.468 -1.998 5.736 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.110 -0.984 7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.525 -2.530 6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.962 -4.268 10.048 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.720 -4.420 8.305 1.00 0.00 H new ATOM 1388 N LYS A 107 9.421 -0.715 6.362 1.00 0.00 N ATOM 1389 CA LYS A 107 10.532 0.172 6.661 1.00 0.00 C ATOM 1390 C LYS A 107 10.437 1.406 5.766 1.00 0.00 C ATOM 1391 O LYS A 107 9.583 1.448 4.883 1.00 0.00 O ATOM 1392 CB LYS A 107 11.863 -0.564 6.436 1.00 0.00 C ATOM 1393 CG LYS A 107 12.250 -0.734 4.974 1.00 0.00 C ATOM 1394 CD LYS A 107 11.334 -1.680 4.223 1.00 0.00 C ATOM 1395 CE LYS A 107 11.789 -1.848 2.785 1.00 0.00 C ATOM 1396 NZ LYS A 107 11.745 -0.568 2.021 1.00 0.00 N ATOM 0 H LYS A 107 9.209 -0.792 5.367 1.00 0.00 H new ATOM 0 HA LYS A 107 10.489 0.485 7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.656 -0.019 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.802 -1.549 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.236 0.240 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 107 13.273 -1.106 4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.320 -2.650 4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.314 -1.297 4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.806 -2.241 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.156 -2.585 2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.933 -0.757 1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.805 -0.136 2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.467 0.083 2.392 1.00 0.00 H new