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 52 GLN : amide:sc= -2.97 K(o=-3,f=-4.9!) USER MOD Set 1.2: A 71 ASN : amide:sc= 0 X(o=-3,f=-3) USER MOD Set 2.1: A 51 THR OG1 : rot -150:sc= -0.872 USER MOD Set 2.2: A 54 GLN :FLIP amide:sc= -1.08 F(o=-3.6,f=-2) USER MOD Set 3.1: A 39 THR OG1 : rot -52:sc= 0.926 USER MOD Set 3.2: A 41 ASN : amide:sc= -0.921 K(o=0.0044,f=-7.6!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= 1.17 (180deg=0.0355) USER MOD Single : A 50 MET CE :methyl -133:sc= -7.11! (180deg=-10.2!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) 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 -160:sc= -2.61 (180deg=-3.81!) USER MOD Single : A 65 SER OG : rot -33:sc= 0.207 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00288 USER MOD Single : A 75 TYR OH : rot 139:sc= 0.379 USER MOD Single : A 90 THR OG1 : rot -25:sc= 0.405 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.93! C(o=-1.9!,f=-8.8!) USER MOD Single : A 97 SER OG : rot 180:sc=0.000306 USER MOD Single : A 98 SER OG : rot -27:sc= 0.173 USER MOD Single : A 102 THR OG1 : rot 170:sc= -0.671 USER MOD Single : A 103 ASN : amide:sc= -0.0586 K(o=-0.059,f=-1) USER MOD Single : A 106 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.037) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 334 N LEU A 38 -2.255 0.143 -2.046 1.00 0.00 N ATOM 335 CA LEU A 38 -2.072 -0.185 -0.647 1.00 0.00 C ATOM 336 C LEU A 38 -1.494 0.965 0.148 1.00 0.00 C ATOM 337 O LEU A 38 -0.629 1.708 -0.319 1.00 0.00 O ATOM 338 CB LEU A 38 -1.176 -1.391 -0.484 1.00 0.00 C ATOM 339 CG LEU A 38 -1.856 -2.751 -0.618 1.00 0.00 C ATOM 340 CD1 LEU A 38 -3.174 -2.755 0.123 1.00 0.00 C ATOM 341 CD2 LEU A 38 -2.040 -3.139 -2.076 1.00 0.00 C ATOM 0 HA LEU A 38 -3.066 -0.406 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.379 -1.330 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.703 -1.338 0.497 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.207 -3.501 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.647 -3.731 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.999 -2.548 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.828 -1.988 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.527 -4.112 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.658 -2.393 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.067 -3.190 -2.565 1.00 0.00 H new ATOM 353 N THR A 39 -2.020 1.096 1.339 1.00 0.00 N ATOM 354 CA THR A 39 -1.581 2.087 2.300 1.00 0.00 C ATOM 355 C THR A 39 -1.345 1.438 3.662 1.00 0.00 C ATOM 356 O THR A 39 -1.430 0.217 3.795 1.00 0.00 O ATOM 357 CB THR A 39 -2.591 3.238 2.449 1.00 0.00 C ATOM 358 OG1 THR A 39 -3.726 2.808 3.200 1.00 0.00 O ATOM 359 CG2 THR A 39 -3.051 3.725 1.094 1.00 0.00 C ATOM 0 H THR A 39 -2.781 0.507 1.679 1.00 0.00 H new ATOM 0 HA THR A 39 -0.648 2.505 1.923 1.00 0.00 H new ATOM 0 HB THR A 39 -2.094 4.054 2.973 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.087 1.986 2.806 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.765 4.539 1.223 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.193 4.082 0.525 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.528 2.906 0.556 1.00 0.00 H new ATOM 367 N ALA A 40 -1.089 2.259 4.671 1.00 0.00 N ATOM 368 CA ALA A 40 -0.781 1.766 6.016 1.00 0.00 C ATOM 369 C ALA A 40 -1.943 0.984 6.628 1.00 0.00 C ATOM 370 O ALA A 40 -1.752 -0.105 7.164 1.00 0.00 O ATOM 371 CB ALA A 40 -0.407 2.921 6.929 1.00 0.00 C ATOM 0 H ALA A 40 -1.087 3.276 4.588 1.00 0.00 H new ATOM 0 HA ALA A 40 0.063 1.084 5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.181 2.539 7.925 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.469 3.432 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.240 3.621 6.990 1.00 0.00 H new ATOM 377 N ASN A 41 -3.144 1.540 6.549 1.00 0.00 N ATOM 378 CA ASN A 41 -4.313 0.906 7.156 1.00 0.00 C ATOM 379 C ASN A 41 -4.668 -0.386 6.434 1.00 0.00 C ATOM 380 O ASN A 41 -5.153 -1.339 7.043 1.00 0.00 O ATOM 381 CB ASN A 41 -5.508 1.860 7.192 1.00 0.00 C ATOM 382 CG ASN A 41 -5.764 2.585 5.885 1.00 0.00 C ATOM 383 OD1 ASN A 41 -5.626 2.022 4.811 1.00 0.00 O ATOM 384 ND2 ASN A 41 -6.136 3.852 5.980 1.00 0.00 N ATOM 0 H ASN A 41 -3.337 2.422 6.075 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.057 0.658 8.186 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.401 1.296 7.463 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.346 2.598 7.978 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.319 4.395 5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.240 4.286 6.897 1.00 0.00 H new ATOM 391 N ASP A 42 -4.417 -0.407 5.136 1.00 0.00 N ATOM 392 CA ASP A 42 -4.561 -1.624 4.345 1.00 0.00 C ATOM 393 C ASP A 42 -3.589 -2.689 4.832 1.00 0.00 C ATOM 394 O ASP A 42 -3.913 -3.869 4.860 1.00 0.00 O ATOM 395 CB ASP A 42 -4.301 -1.364 2.862 1.00 0.00 C ATOM 396 CG ASP A 42 -5.293 -0.417 2.216 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.330 -0.893 1.709 1.00 0.00 O ATOM 398 OD2 ASP A 42 -5.024 0.801 2.179 1.00 0.00 O ATOM 0 H ASP A 42 -4.111 0.407 4.603 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.588 -1.969 4.468 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.297 -0.956 2.746 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.322 -2.314 2.328 1.00 0.00 H new ATOM 403 N VAL A 43 -2.391 -2.264 5.211 1.00 0.00 N ATOM 404 CA VAL A 43 -1.378 -3.177 5.737 1.00 0.00 C ATOM 405 C VAL A 43 -1.872 -3.869 7.006 1.00 0.00 C ATOM 406 O VAL A 43 -1.607 -5.049 7.231 1.00 0.00 O ATOM 407 CB VAL A 43 -0.059 -2.437 6.040 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.930 -3.364 6.710 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.550 -1.885 4.780 1.00 0.00 C ATOM 0 H VAL A 43 -2.094 -1.289 5.165 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.192 -3.927 4.968 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.291 -1.611 6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.854 -2.823 6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.508 -3.731 7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.142 -4.207 6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.479 -1.368 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.758 -2.701 4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.145 -1.185 4.316 1.00 0.00 H new ATOM 419 N SER A 44 -2.597 -3.123 7.825 1.00 0.00 N ATOM 420 CA SER A 44 -3.187 -3.657 9.048 1.00 0.00 C ATOM 421 C SER A 44 -4.163 -4.796 8.742 1.00 0.00 C ATOM 422 O SER A 44 -4.438 -5.639 9.597 1.00 0.00 O ATOM 423 CB SER A 44 -3.897 -2.535 9.802 1.00 0.00 C ATOM 424 OG SER A 44 -4.469 -2.991 11.018 1.00 0.00 O ATOM 0 H SER A 44 -2.794 -2.135 7.664 1.00 0.00 H new ATOM 0 HA SER A 44 -2.390 -4.064 9.670 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.188 -1.734 10.013 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.678 -2.111 9.170 1.00 0.00 H new ATOM 0 HG SER A 44 -4.912 -2.244 11.471 1.00 0.00 H new ATOM 430 N LYS A 45 -4.678 -4.812 7.517 1.00 0.00 N ATOM 431 CA LYS A 45 -5.616 -5.840 7.078 1.00 0.00 C ATOM 432 C LYS A 45 -4.943 -7.202 6.961 1.00 0.00 C ATOM 433 O LYS A 45 -5.566 -8.231 7.220 1.00 0.00 O ATOM 434 CB LYS A 45 -6.235 -5.457 5.742 1.00 0.00 C ATOM 435 CG LYS A 45 -7.108 -4.218 5.820 1.00 0.00 C ATOM 436 CD LYS A 45 -7.627 -3.834 4.455 1.00 0.00 C ATOM 437 CE LYS A 45 -8.455 -4.961 3.875 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.755 -4.753 2.436 1.00 0.00 N ATOM 0 H LYS A 45 -4.459 -4.117 6.804 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.399 -5.912 7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.440 -5.288 5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.832 -6.291 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.946 -4.401 6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.535 -3.391 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.231 -2.930 4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.793 -3.607 3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.922 -5.903 4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.389 -5.047 4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.762 -4.946 2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.540 -3.769 2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.174 -5.398 1.863 1.00 0.00 H new ATOM 452 N ILE A 46 -3.676 -7.218 6.564 1.00 0.00 N ATOM 453 CA ILE A 46 -2.977 -8.468 6.395 1.00 0.00 C ATOM 454 C ILE A 46 -2.207 -8.872 7.631 1.00 0.00 C ATOM 455 O ILE A 46 -2.136 -8.143 8.622 1.00 0.00 O ATOM 456 CB ILE A 46 -2.015 -8.474 5.195 1.00 0.00 C ATOM 457 CG1 ILE A 46 -0.934 -7.393 5.303 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.795 -8.337 3.907 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.149 -7.561 4.260 1.00 0.00 C ATOM 0 H ILE A 46 -3.124 -6.385 6.357 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.769 -9.193 6.206 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.493 -9.431 5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.393 -6.410 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.487 -7.426 6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.106 -8.342 3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.491 -9.171 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.351 -7.399 3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.892 -6.772 4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.628 -8.532 4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.292 -7.500 3.265 1.00 0.00 H new ATOM 471 N ARG A 47 -1.631 -10.053 7.540 1.00 0.00 N ATOM 472 CA ARG A 47 -0.918 -10.663 8.644 1.00 0.00 C ATOM 473 C ARG A 47 -0.127 -11.851 8.140 1.00 0.00 C ATOM 474 O ARG A 47 -0.502 -12.492 7.156 1.00 0.00 O ATOM 475 CB ARG A 47 -1.889 -11.116 9.743 1.00 0.00 C ATOM 476 CG ARG A 47 -2.943 -12.112 9.270 1.00 0.00 C ATOM 477 CD ARG A 47 -4.156 -11.408 8.675 1.00 0.00 C ATOM 478 NE ARG A 47 -4.698 -10.392 9.579 1.00 0.00 N ATOM 479 CZ ARG A 47 -5.961 -10.347 9.995 1.00 0.00 C ATOM 480 NH1 ARG A 47 -6.826 -11.286 9.629 1.00 0.00 N ATOM 481 NH2 ARG A 47 -6.354 -9.356 10.782 1.00 0.00 N ATOM 0 H ARG A 47 -1.644 -10.620 6.693 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.241 -9.922 9.070 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.318 -11.566 10.555 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.391 -10.240 10.154 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.507 -12.777 8.525 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.258 -12.734 10.108 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.877 -10.941 7.730 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.929 -12.144 8.451 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.063 -9.668 9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.524 -12.050 9.024 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.792 -11.243 9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.690 -8.635 11.064 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.320 -9.314 11.105 1.00 0.00 H new ATOM 495 N VAL A 48 0.971 -12.127 8.812 1.00 0.00 N ATOM 496 CA VAL A 48 1.852 -13.200 8.421 1.00 0.00 C ATOM 497 C VAL A 48 1.208 -14.539 8.738 1.00 0.00 C ATOM 498 O VAL A 48 0.551 -14.684 9.769 1.00 0.00 O ATOM 499 CB VAL A 48 3.193 -13.099 9.152 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.316 -13.603 8.266 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.451 -11.670 9.582 1.00 0.00 C ATOM 0 H VAL A 48 1.274 -11.615 9.640 1.00 0.00 H new ATOM 0 HA VAL A 48 2.030 -13.120 7.349 1.00 0.00 H new ATOM 0 HB VAL A 48 3.153 -13.724 10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.263 -13.525 8.799 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.132 -14.645 8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.361 -13.002 7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.408 -11.613 10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.475 -11.025 8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.656 -11.342 10.251 1.00 0.00 H new ATOM 511 N GLY A 49 1.393 -15.504 7.860 1.00 0.00 N ATOM 512 CA GLY A 49 0.767 -16.794 8.045 1.00 0.00 C ATOM 513 C GLY A 49 -0.134 -17.166 6.885 1.00 0.00 C ATOM 514 O GLY A 49 -0.385 -18.348 6.645 1.00 0.00 O ATOM 0 H GLY A 49 1.966 -15.420 7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.537 -17.556 8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.185 -16.784 8.966 1.00 0.00 H new ATOM 518 N MET A 50 -0.624 -16.168 6.156 1.00 0.00 N ATOM 519 CA MET A 50 -1.442 -16.449 4.987 1.00 0.00 C ATOM 520 C MET A 50 -0.611 -16.416 3.712 1.00 0.00 C ATOM 521 O MET A 50 0.588 -16.141 3.746 1.00 0.00 O ATOM 522 CB MET A 50 -2.663 -15.528 4.872 1.00 0.00 C ATOM 523 CG MET A 50 -2.387 -14.042 4.940 1.00 0.00 C ATOM 524 SD MET A 50 -3.881 -13.090 4.590 1.00 0.00 S ATOM 525 CE MET A 50 -3.266 -11.418 4.675 1.00 0.00 C ATOM 0 H MET A 50 -0.472 -15.178 6.350 1.00 0.00 H new ATOM 0 HA MET A 50 -1.829 -17.459 5.122 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.165 -15.740 3.928 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.361 -15.784 5.669 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.010 -13.783 5.930 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.608 -13.780 4.224 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.940 -10.813 5.281 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.274 -11.418 5.126 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.208 -11.000 3.670 1.00 0.00 H new ATOM 535 N THR A 51 -1.259 -16.698 2.596 1.00 0.00 N ATOM 536 CA THR A 51 -0.567 -16.928 1.338 1.00 0.00 C ATOM 537 C THR A 51 -0.480 -15.680 0.481 1.00 0.00 C ATOM 538 O THR A 51 -0.962 -14.608 0.860 1.00 0.00 O ATOM 539 CB THR A 51 -1.283 -18.006 0.522 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.648 -17.633 0.314 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.248 -19.324 1.234 1.00 0.00 C ATOM 0 H THR A 51 -2.274 -16.774 2.535 1.00 0.00 H new ATOM 0 HA THR A 51 0.442 -17.243 1.604 1.00 0.00 H new ATOM 0 HB THR A 51 -0.770 -18.101 -0.435 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.200 -18.439 0.243 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.763 -20.075 0.635 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.212 -19.628 1.385 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.743 -19.229 2.200 1.00 0.00 H new ATOM 549 N GLN A 52 0.121 -15.836 -0.688 1.00 0.00 N ATOM 550 CA GLN A 52 0.154 -14.786 -1.670 1.00 0.00 C ATOM 551 C GLN A 52 -1.251 -14.503 -2.170 1.00 0.00 C ATOM 552 O GLN A 52 -1.655 -13.346 -2.287 1.00 0.00 O ATOM 553 CB GLN A 52 1.050 -15.181 -2.836 1.00 0.00 C ATOM 554 CG GLN A 52 2.508 -15.351 -2.446 1.00 0.00 C ATOM 555 CD GLN A 52 3.409 -15.714 -3.613 1.00 0.00 C ATOM 556 OE1 GLN A 52 4.410 -16.405 -3.442 1.00 0.00 O ATOM 557 NE2 GLN A 52 3.071 -15.241 -4.801 1.00 0.00 N ATOM 0 H GLN A 52 0.595 -16.693 -0.973 1.00 0.00 H new ATOM 0 HA GLN A 52 0.558 -13.885 -1.208 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.685 -16.114 -3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.976 -14.422 -3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.866 -14.425 -1.996 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.584 -16.126 -1.684 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.232 -14.670 -4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.650 -15.447 -5.615 1.00 0.00 H new ATOM 566 N GLN A 53 -2.014 -15.561 -2.432 1.00 0.00 N ATOM 567 CA GLN A 53 -3.364 -15.383 -2.939 1.00 0.00 C ATOM 568 C GLN A 53 -4.212 -14.682 -1.897 1.00 0.00 C ATOM 569 O GLN A 53 -5.034 -13.829 -2.222 1.00 0.00 O ATOM 570 CB GLN A 53 -4.013 -16.711 -3.333 1.00 0.00 C ATOM 571 CG GLN A 53 -4.254 -17.670 -2.191 1.00 0.00 C ATOM 572 CD GLN A 53 -5.299 -18.719 -2.521 1.00 0.00 C ATOM 573 OE1 GLN A 53 -4.984 -19.795 -3.024 1.00 0.00 O ATOM 574 NE2 GLN A 53 -6.554 -18.413 -2.230 1.00 0.00 N ATOM 0 H GLN A 53 -1.725 -16.531 -2.304 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.301 -14.772 -3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.966 -16.502 -3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.380 -17.202 -4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.317 -18.164 -1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.572 -17.110 -1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.775 -17.509 -1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.300 -19.082 -2.423 1.00 0.00 H new ATOM 583 N GLN A 54 -3.985 -15.037 -0.644 1.00 0.00 N ATOM 584 CA GLN A 54 -4.725 -14.445 0.449 1.00 0.00 C ATOM 585 C GLN A 54 -4.389 -12.963 0.602 1.00 0.00 C ATOM 586 O GLN A 54 -5.286 -12.134 0.735 1.00 0.00 O ATOM 587 CB GLN A 54 -4.475 -15.203 1.747 1.00 0.00 C ATOM 588 CG GLN A 54 -5.145 -16.562 1.763 1.00 0.00 C ATOM 589 CD GLN A 54 -4.885 -17.333 3.027 1.00 0.00 C ATOM 590 OE1 GLN A 54 -3.876 -18.172 2.976 1.00 0.00 O flip ATOM 591 NE2 GLN A 54 -5.597 -17.203 4.021 1.00 0.00 N flip ATOM 0 H GLN A 54 -3.294 -15.732 -0.362 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.787 -14.520 0.216 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.402 -15.329 1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.841 -14.611 2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.220 -16.432 1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.794 -17.144 0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.370 -16.537 4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.415 -17.761 4.855 1.00 0.00 H new ATOM 600 N VAL A 55 -3.101 -12.623 0.556 1.00 0.00 N ATOM 601 CA VAL A 55 -2.685 -11.236 0.690 1.00 0.00 C ATOM 602 C VAL A 55 -3.094 -10.401 -0.510 1.00 0.00 C ATOM 603 O VAL A 55 -3.646 -9.325 -0.347 1.00 0.00 O ATOM 604 CB VAL A 55 -1.170 -11.104 0.892 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.749 -9.644 0.811 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.782 -11.685 2.227 1.00 0.00 C ATOM 0 H VAL A 55 -2.337 -13.286 0.428 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.195 -10.861 1.577 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.659 -11.654 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.329 -9.567 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.013 -9.243 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.261 -9.074 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.295 -11.589 2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.300 -11.148 3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.060 -12.738 2.260 1.00 0.00 H new ATOM 616 N ALA A 56 -2.835 -10.893 -1.713 1.00 0.00 N ATOM 617 CA ALA A 56 -3.149 -10.125 -2.912 1.00 0.00 C ATOM 618 C ALA A 56 -4.645 -9.887 -3.014 1.00 0.00 C ATOM 619 O ALA A 56 -5.091 -8.923 -3.626 1.00 0.00 O ATOM 620 CB ALA A 56 -2.625 -10.808 -4.164 1.00 0.00 C ATOM 0 H ALA A 56 -2.415 -11.806 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.648 -9.160 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.877 -10.208 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.542 -10.912 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.079 -11.794 -4.258 1.00 0.00 H new ATOM 626 N TYR A 57 -5.418 -10.775 -2.421 1.00 0.00 N ATOM 627 CA TYR A 57 -6.856 -10.611 -2.382 1.00 0.00 C ATOM 628 C TYR A 57 -7.279 -9.653 -1.264 1.00 0.00 C ATOM 629 O TYR A 57 -8.191 -8.845 -1.443 1.00 0.00 O ATOM 630 CB TYR A 57 -7.532 -11.970 -2.256 1.00 0.00 C ATOM 631 CG TYR A 57 -7.717 -12.640 -3.601 1.00 0.00 C ATOM 632 CD1 TYR A 57 -6.766 -12.502 -4.616 1.00 0.00 C ATOM 633 CD2 TYR A 57 -8.853 -13.393 -3.870 1.00 0.00 C ATOM 634 CE1 TYR A 57 -6.948 -13.094 -5.844 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.038 -13.986 -5.103 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.084 -13.834 -6.085 1.00 0.00 C ATOM 637 OH TYR A 57 -8.268 -14.420 -7.318 1.00 0.00 O ATOM 0 H TYR A 57 -5.074 -11.617 -1.960 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.182 -10.158 -3.318 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.935 -12.613 -1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.503 -11.849 -1.775 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.874 -11.921 -4.433 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.603 -13.516 -3.103 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.202 -12.979 -6.617 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.928 -14.567 -5.297 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.118 -14.907 -7.325 1.00 0.00 H new ATOM 647 N ALA A 58 -6.610 -9.746 -0.115 1.00 0.00 N ATOM 648 CA ALA A 58 -6.863 -8.845 1.007 1.00 0.00 C ATOM 649 C ALA A 58 -6.438 -7.430 0.669 1.00 0.00 C ATOM 650 O ALA A 58 -7.198 -6.469 0.800 1.00 0.00 O ATOM 651 CB ALA A 58 -6.094 -9.309 2.237 1.00 0.00 C ATOM 0 H ALA A 58 -5.885 -10.441 0.063 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.934 -8.859 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.290 -8.630 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.414 -10.315 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.026 -9.315 2.018 1.00 0.00 H new ATOM 657 N LEU A 59 -5.208 -7.334 0.217 1.00 0.00 N ATOM 658 CA LEU A 59 -4.547 -6.073 -0.028 1.00 0.00 C ATOM 659 C LEU A 59 -4.947 -5.492 -1.372 1.00 0.00 C ATOM 660 O LEU A 59 -5.359 -4.336 -1.473 1.00 0.00 O ATOM 661 CB LEU A 59 -3.033 -6.310 0.026 1.00 0.00 C ATOM 662 CG LEU A 59 -2.283 -5.508 1.073 1.00 0.00 C ATOM 663 CD1 LEU A 59 -3.082 -5.455 2.348 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.936 -6.128 1.322 1.00 0.00 C ATOM 0 H LEU A 59 -4.628 -8.146 0.005 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.845 -5.352 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.855 -7.370 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.612 -6.080 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.138 -4.490 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.537 -4.878 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.045 -4.982 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.243 -6.467 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.402 -5.548 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.066 -7.150 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.362 -6.136 0.395 1.00 0.00 H new ATOM 676 N GLY A 60 -4.863 -6.324 -2.386 1.00 0.00 N ATOM 677 CA GLY A 60 -5.026 -5.874 -3.744 1.00 0.00 C ATOM 678 C GLY A 60 -3.834 -6.293 -4.563 1.00 0.00 C ATOM 679 O GLY A 60 -2.697 -6.008 -4.187 1.00 0.00 O ATOM 0 H GLY A 60 -4.681 -7.323 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.938 -6.294 -4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.133 -4.790 -3.768 1.00 0.00 H new ATOM 683 N THR A 61 -4.081 -7.012 -5.647 1.00 0.00 N ATOM 684 CA THR A 61 -3.007 -7.518 -6.479 1.00 0.00 C ATOM 685 C THR A 61 -2.128 -6.375 -6.979 1.00 0.00 C ATOM 686 O THR A 61 -2.628 -5.347 -7.437 1.00 0.00 O ATOM 687 CB THR A 61 -3.563 -8.318 -7.665 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.496 -7.517 -8.401 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.247 -9.592 -7.180 1.00 0.00 C ATOM 0 H THR A 61 -5.017 -7.257 -5.969 1.00 0.00 H new ATOM 0 HA THR A 61 -2.397 -8.185 -5.870 1.00 0.00 H new ATOM 0 HB THR A 61 -2.733 -8.594 -8.315 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.845 -8.033 -9.157 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.635 -10.145 -8.036 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.527 -10.210 -6.644 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.069 -9.332 -6.513 1.00 0.00 H new ATOM 697 N PRO A 62 -0.806 -6.562 -6.884 1.00 0.00 N ATOM 698 CA PRO A 62 0.181 -5.517 -7.168 1.00 0.00 C ATOM 699 C PRO A 62 0.098 -5.006 -8.599 1.00 0.00 C ATOM 700 O PRO A 62 -0.369 -5.698 -9.503 1.00 0.00 O ATOM 701 CB PRO A 62 1.521 -6.211 -6.919 1.00 0.00 C ATOM 702 CG PRO A 62 1.196 -7.384 -6.062 1.00 0.00 C ATOM 703 CD PRO A 62 -0.166 -7.824 -6.500 1.00 0.00 C ATOM 0 HA PRO A 62 0.024 -4.634 -6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.984 -6.523 -7.855 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.225 -5.543 -6.423 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.928 -8.181 -6.191 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.202 -7.114 -5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.116 -8.523 -7.335 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.707 -8.324 -5.697 1.00 0.00 H new ATOM 711 N LEU A 63 0.597 -3.786 -8.779 1.00 0.00 N ATOM 712 CA LEU A 63 0.468 -3.027 -10.023 1.00 0.00 C ATOM 713 C LEU A 63 1.102 -3.763 -11.185 1.00 0.00 C ATOM 714 O LEU A 63 0.712 -3.574 -12.336 1.00 0.00 O ATOM 715 CB LEU A 63 1.160 -1.685 -9.867 1.00 0.00 C ATOM 716 CG LEU A 63 0.885 -0.966 -8.554 1.00 0.00 C ATOM 717 CD1 LEU A 63 2.112 -0.177 -8.155 1.00 0.00 C ATOM 718 CD2 LEU A 63 -0.326 -0.056 -8.682 1.00 0.00 C ATOM 0 H LEU A 63 1.111 -3.287 -8.053 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.594 -2.894 -10.228 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.235 -1.835 -9.963 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.854 -1.038 -10.689 1.00 0.00 H new ATOM 0 HG LEU A 63 0.664 -1.700 -7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.922 0.341 -7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.956 -0.855 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.343 0.553 -8.931 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.504 0.448 -7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.142 0.687 -9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.201 -0.650 -8.948 1.00 0.00 H new ATOM 730 N MET A 64 2.104 -4.575 -10.870 1.00 0.00 N ATOM 731 CA MET A 64 2.749 -5.435 -11.864 1.00 0.00 C ATOM 732 C MET A 64 1.774 -6.461 -12.449 1.00 0.00 C ATOM 733 O MET A 64 2.135 -7.221 -13.347 1.00 0.00 O ATOM 734 CB MET A 64 3.971 -6.138 -11.257 1.00 0.00 C ATOM 735 CG MET A 64 3.729 -6.788 -9.902 1.00 0.00 C ATOM 736 SD MET A 64 5.273 -7.209 -9.080 1.00 0.00 S ATOM 737 CE MET A 64 4.641 -8.034 -7.632 1.00 0.00 C ATOM 0 H MET A 64 2.491 -4.658 -9.930 1.00 0.00 H new ATOM 0 HA MET A 64 3.081 -4.796 -12.682 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.316 -6.902 -11.954 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.777 -5.411 -11.156 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.154 -6.110 -9.271 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.129 -7.689 -10.032 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.407 -8.046 -6.856 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.762 -7.504 -7.266 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.367 -9.058 -7.887 1.00 0.00 H new ATOM 747 N SER A 65 0.549 -6.485 -11.909 1.00 0.00 N ATOM 748 CA SER A 65 -0.555 -7.289 -12.444 1.00 0.00 C ATOM 749 C SER A 65 -0.345 -8.778 -12.186 1.00 0.00 C ATOM 750 O SER A 65 -1.210 -9.608 -12.477 1.00 0.00 O ATOM 751 CB SER A 65 -0.738 -7.006 -13.940 1.00 0.00 C ATOM 752 OG SER A 65 -1.947 -7.558 -14.431 1.00 0.00 O ATOM 0 H SER A 65 0.295 -5.943 -11.083 1.00 0.00 H new ATOM 0 HA SER A 65 -1.467 -7.001 -11.921 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.733 -5.929 -14.110 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.104 -7.420 -14.495 1.00 0.00 H new ATOM 0 HG SER A 65 -2.144 -8.390 -13.953 1.00 0.00 H new ATOM 758 N ASP A 66 0.786 -9.103 -11.600 1.00 0.00 N ATOM 759 CA ASP A 66 1.133 -10.476 -11.303 1.00 0.00 C ATOM 760 C ASP A 66 1.788 -10.573 -9.940 1.00 0.00 C ATOM 761 O ASP A 66 2.961 -10.245 -9.761 1.00 0.00 O ATOM 762 CB ASP A 66 2.029 -11.059 -12.390 1.00 0.00 C ATOM 763 CG ASP A 66 2.861 -12.230 -11.907 1.00 0.00 C ATOM 764 OD1 ASP A 66 2.291 -13.314 -11.675 1.00 0.00 O ATOM 765 OD2 ASP A 66 4.091 -12.068 -11.754 1.00 0.00 O ATOM 0 H ASP A 66 1.491 -8.423 -11.316 1.00 0.00 H new ATOM 0 HA ASP A 66 0.217 -11.066 -11.281 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.411 -11.381 -13.228 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.692 -10.279 -12.764 1.00 0.00 H new ATOM 770 N PRO A 67 1.003 -10.969 -8.952 1.00 0.00 N ATOM 771 CA PRO A 67 1.493 -11.199 -7.604 1.00 0.00 C ATOM 772 C PRO A 67 2.198 -12.554 -7.456 1.00 0.00 C ATOM 773 O PRO A 67 3.104 -12.708 -6.640 1.00 0.00 O ATOM 774 CB PRO A 67 0.206 -11.182 -6.771 1.00 0.00 C ATOM 775 CG PRO A 67 -0.861 -11.661 -7.704 1.00 0.00 C ATOM 776 CD PRO A 67 -0.451 -11.176 -9.074 1.00 0.00 C ATOM 0 HA PRO A 67 2.236 -10.460 -7.305 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.290 -11.832 -5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.013 -10.180 -6.401 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.943 -12.748 -7.681 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.836 -11.262 -7.423 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.688 -11.909 -9.845 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.965 -10.253 -9.342 1.00 0.00 H new ATOM 784 N PHE A 68 1.791 -13.519 -8.272 1.00 0.00 N ATOM 785 CA PHE A 68 2.190 -14.906 -8.096 1.00 0.00 C ATOM 786 C PHE A 68 3.524 -15.226 -8.763 1.00 0.00 C ATOM 787 O PHE A 68 4.043 -16.333 -8.618 1.00 0.00 O ATOM 788 CB PHE A 68 1.101 -15.818 -8.660 1.00 0.00 C ATOM 789 CG PHE A 68 -0.244 -15.628 -8.016 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.343 -15.284 -6.678 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.409 -15.792 -8.749 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.577 -15.108 -6.082 1.00 0.00 C ATOM 793 CE2 PHE A 68 -2.646 -15.618 -8.159 1.00 0.00 C ATOM 794 CZ PHE A 68 -2.729 -15.275 -6.822 1.00 0.00 C ATOM 0 H PHE A 68 1.177 -13.361 -9.071 1.00 0.00 H new ATOM 0 HA PHE A 68 2.320 -15.076 -7.027 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.009 -15.639 -9.731 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.409 -16.856 -8.536 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.555 -15.152 -6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.349 -16.059 -9.794 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.640 -14.840 -5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.546 -15.750 -8.741 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.694 -15.138 -6.358 1.00 0.00 H new ATOM 804 N GLY A 69 4.081 -14.269 -9.488 1.00 0.00 N ATOM 805 CA GLY A 69 5.331 -14.513 -10.181 1.00 0.00 C ATOM 806 C GLY A 69 6.526 -14.173 -9.323 1.00 0.00 C ATOM 807 O GLY A 69 7.644 -14.622 -9.584 1.00 0.00 O ATOM 0 H GLY A 69 3.694 -13.333 -9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.383 -15.561 -10.478 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.361 -13.921 -11.096 1.00 0.00 H new ATOM 811 N THR A 70 6.284 -13.396 -8.283 1.00 0.00 N ATOM 812 CA THR A 70 7.342 -12.950 -7.403 1.00 0.00 C ATOM 813 C THR A 70 7.033 -13.356 -5.965 1.00 0.00 C ATOM 814 O THR A 70 5.939 -13.836 -5.664 1.00 0.00 O ATOM 815 CB THR A 70 7.514 -11.419 -7.473 1.00 0.00 C ATOM 816 OG1 THR A 70 8.741 -11.025 -6.843 1.00 0.00 O ATOM 817 CG2 THR A 70 6.358 -10.730 -6.785 1.00 0.00 C ATOM 0 H THR A 70 5.355 -13.060 -8.028 1.00 0.00 H new ATOM 0 HA THR A 70 8.269 -13.422 -7.729 1.00 0.00 H new ATOM 0 HB THR A 70 7.537 -11.126 -8.523 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.838 -10.051 -6.896 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.492 -9.650 -6.842 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.425 -11.006 -7.277 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.322 -11.037 -5.740 1.00 0.00 H new ATOM 825 N ASN A 71 7.998 -13.149 -5.086 1.00 0.00 N ATOM 826 CA ASN A 71 7.834 -13.465 -3.676 1.00 0.00 C ATOM 827 C ASN A 71 8.205 -12.251 -2.838 1.00 0.00 C ATOM 828 O ASN A 71 8.535 -12.365 -1.656 1.00 0.00 O ATOM 829 CB ASN A 71 8.696 -14.673 -3.280 1.00 0.00 C ATOM 830 CG ASN A 71 8.323 -15.939 -4.036 1.00 0.00 C ATOM 831 OD1 ASN A 71 8.873 -16.228 -5.102 1.00 0.00 O ATOM 832 ND2 ASN A 71 7.384 -16.701 -3.496 1.00 0.00 N ATOM 0 H ASN A 71 8.910 -12.761 -5.326 1.00 0.00 H new ATOM 0 HA ASN A 71 6.791 -13.725 -3.493 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.745 -14.441 -3.465 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.593 -14.851 -2.210 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.093 -17.560 -3.963 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.952 -16.429 -2.613 1.00 0.00 H new ATOM 839 N THR A 72 8.174 -11.085 -3.478 1.00 0.00 N ATOM 840 CA THR A 72 8.478 -9.828 -2.832 1.00 0.00 C ATOM 841 C THR A 72 7.576 -8.731 -3.391 1.00 0.00 C ATOM 842 O THR A 72 7.681 -8.363 -4.560 1.00 0.00 O ATOM 843 CB THR A 72 9.945 -9.451 -3.061 1.00 0.00 C ATOM 844 OG1 THR A 72 10.786 -10.574 -2.758 1.00 0.00 O ATOM 845 CG2 THR A 72 10.324 -8.282 -2.182 1.00 0.00 C ATOM 0 H THR A 72 7.935 -10.994 -4.465 1.00 0.00 H new ATOM 0 HA THR A 72 8.304 -9.934 -1.761 1.00 0.00 H new ATOM 0 HB THR A 72 10.079 -9.169 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.723 -10.330 -2.907 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.369 -8.022 -2.353 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.693 -7.426 -2.423 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.184 -8.553 -1.136 1.00 0.00 H new ATOM 853 N TRP A 73 6.674 -8.233 -2.560 1.00 0.00 N ATOM 854 CA TRP A 73 5.686 -7.252 -2.996 1.00 0.00 C ATOM 855 C TRP A 73 6.010 -5.874 -2.427 1.00 0.00 C ATOM 856 O TRP A 73 6.545 -5.775 -1.325 1.00 0.00 O ATOM 857 CB TRP A 73 4.288 -7.706 -2.568 1.00 0.00 C ATOM 858 CG TRP A 73 3.858 -8.978 -3.234 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.502 -9.632 -4.243 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.691 -9.747 -2.944 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.812 -10.765 -4.590 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.695 -10.854 -3.809 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.641 -9.609 -2.039 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.695 -11.813 -3.793 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.651 -10.565 -2.026 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.684 -11.652 -2.898 1.00 0.00 C ATOM 0 H TRP A 73 6.604 -8.492 -1.576 1.00 0.00 H new ATOM 0 HA TRP A 73 5.713 -7.177 -4.083 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.272 -7.844 -1.487 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.569 -6.920 -2.800 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.423 -9.305 -4.702 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.087 -11.431 -5.312 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.605 -8.769 -1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.718 -12.657 -4.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.167 -10.471 -1.327 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.111 -12.382 -2.862 1.00 0.00 H new ATOM 877 N PHE A 74 5.695 -4.818 -3.180 1.00 0.00 N ATOM 878 CA PHE A 74 6.060 -3.457 -2.780 1.00 0.00 C ATOM 879 C PHE A 74 4.835 -2.539 -2.752 1.00 0.00 C ATOM 880 O PHE A 74 4.219 -2.278 -3.786 1.00 0.00 O ATOM 881 CB PHE A 74 7.105 -2.874 -3.739 1.00 0.00 C ATOM 882 CG PHE A 74 8.194 -3.839 -4.121 1.00 0.00 C ATOM 883 CD1 PHE A 74 9.183 -4.194 -3.216 1.00 0.00 C ATOM 884 CD2 PHE A 74 8.225 -4.390 -5.392 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.180 -5.084 -3.575 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.218 -5.278 -5.755 1.00 0.00 C ATOM 887 CZ PHE A 74 10.196 -5.625 -4.846 1.00 0.00 C ATOM 0 H PHE A 74 5.191 -4.878 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 74 6.480 -3.515 -1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.602 -2.534 -4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.557 -1.997 -3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.175 -3.772 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.462 -4.121 -6.108 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.945 -5.355 -2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.229 -5.700 -6.749 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.974 -6.319 -5.128 1.00 0.00 H new ATOM 897 N TYR A 75 4.495 -2.060 -1.562 1.00 0.00 N ATOM 898 CA TYR A 75 3.369 -1.142 -1.367 1.00 0.00 C ATOM 899 C TYR A 75 3.838 0.071 -0.579 1.00 0.00 C ATOM 900 O TYR A 75 4.990 0.114 -0.157 1.00 0.00 O ATOM 901 CB TYR A 75 2.235 -1.835 -0.618 1.00 0.00 C ATOM 902 CG TYR A 75 1.857 -3.167 -1.204 1.00 0.00 C ATOM 903 CD1 TYR A 75 1.428 -3.287 -2.520 1.00 0.00 C ATOM 904 CD2 TYR A 75 1.937 -4.307 -0.434 1.00 0.00 C ATOM 905 CE1 TYR A 75 1.093 -4.518 -3.047 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.607 -5.539 -0.944 1.00 0.00 C ATOM 907 CZ TYR A 75 1.183 -5.642 -2.255 1.00 0.00 C ATOM 908 OH TYR A 75 0.848 -6.866 -2.774 1.00 0.00 O ATOM 0 H TYR A 75 4.990 -2.294 -0.701 1.00 0.00 H new ATOM 0 HA TYR A 75 2.998 -0.827 -2.342 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.529 -1.975 0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.360 -1.185 -0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.356 -2.405 -3.139 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.266 -4.230 0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.763 -4.600 -4.072 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.678 -6.421 -0.325 1.00 0.00 H new ATOM 0 HH TYR A 75 1.493 -7.538 -2.470 1.00 0.00 H new ATOM 918 N VAL A 76 2.966 1.051 -0.371 1.00 0.00 N ATOM 919 CA VAL A 76 3.369 2.274 0.316 1.00 0.00 C ATOM 920 C VAL A 76 2.460 2.514 1.524 1.00 0.00 C ATOM 921 O VAL A 76 1.504 1.771 1.743 1.00 0.00 O ATOM 922 CB VAL A 76 3.352 3.495 -0.643 1.00 0.00 C ATOM 923 CG1 VAL A 76 1.935 4.002 -0.873 1.00 0.00 C ATOM 924 CG2 VAL A 76 4.265 4.614 -0.140 1.00 0.00 C ATOM 0 H VAL A 76 1.989 1.025 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 76 4.395 2.152 0.664 1.00 0.00 H new ATOM 0 HB VAL A 76 3.742 3.159 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.960 4.857 -1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.332 3.208 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.498 4.304 0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.229 5.453 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.929 4.943 0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.288 4.245 -0.070 1.00 0.00 H new ATOM 934 N PHE A 77 2.764 3.537 2.309 1.00 0.00 N ATOM 935 CA PHE A 77 2.033 3.796 3.538 1.00 0.00 C ATOM 936 C PHE A 77 0.972 4.872 3.344 1.00 0.00 C ATOM 937 O PHE A 77 0.964 5.587 2.343 1.00 0.00 O ATOM 938 CB PHE A 77 3.001 4.199 4.653 1.00 0.00 C ATOM 939 CG PHE A 77 2.978 3.255 5.819 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.765 1.902 5.622 1.00 0.00 C ATOM 941 CD2 PHE A 77 3.158 3.721 7.111 1.00 0.00 C ATOM 942 CE1 PHE A 77 2.731 1.027 6.689 1.00 0.00 C ATOM 943 CE2 PHE A 77 3.125 2.851 8.183 1.00 0.00 C ATOM 944 CZ PHE A 77 2.912 1.503 7.974 1.00 0.00 C ATOM 0 H PHE A 77 3.513 4.202 2.115 1.00 0.00 H new ATOM 0 HA PHE A 77 1.522 2.876 3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.013 4.245 4.249 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.750 5.202 4.999 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.623 1.525 4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.326 4.774 7.282 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.563 -0.027 6.520 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.266 3.226 9.186 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.887 0.822 8.812 1.00 0.00 H new ATOM 1137 N THR A 90 7.591 1.861 2.693 1.00 0.00 N ATOM 1138 CA THR A 90 7.080 0.850 1.791 1.00 0.00 C ATOM 1139 C THR A 90 6.865 -0.481 2.484 1.00 0.00 C ATOM 1140 O THR A 90 7.636 -0.875 3.358 1.00 0.00 O ATOM 1141 CB THR A 90 8.038 0.636 0.609 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.381 0.464 1.089 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.976 1.810 -0.344 1.00 0.00 C ATOM 0 HA THR A 90 6.118 1.218 1.433 1.00 0.00 H new ATOM 0 HB THR A 90 7.732 -0.263 0.074 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.473 0.893 1.965 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.661 1.641 -1.175 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.961 1.915 -0.726 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.262 2.721 0.182 1.00 0.00 H new ATOM 1151 N LEU A 91 5.809 -1.163 2.081 1.00 0.00 N ATOM 1152 CA LEU A 91 5.537 -2.501 2.564 1.00 0.00 C ATOM 1153 C LEU A 91 6.177 -3.507 1.628 1.00 0.00 C ATOM 1154 O LEU A 91 5.776 -3.622 0.472 1.00 0.00 O ATOM 1155 CB LEU A 91 4.030 -2.779 2.645 1.00 0.00 C ATOM 1156 CG LEU A 91 3.677 -4.083 3.362 1.00 0.00 C ATOM 1157 CD1 LEU A 91 3.975 -3.963 4.839 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.231 -4.482 3.170 1.00 0.00 C ATOM 0 H LEU A 91 5.122 -0.808 1.416 1.00 0.00 H new ATOM 0 HA LEU A 91 5.953 -2.589 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.545 -1.950 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.621 -2.809 1.635 1.00 0.00 H new ATOM 0 HG LEU A 91 4.294 -4.863 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.720 -4.897 5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.035 -3.754 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.385 -3.151 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.037 -5.414 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.582 -3.699 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.030 -4.621 2.108 1.00 0.00 H new ATOM 1170 N THR A 92 7.174 -4.213 2.121 1.00 0.00 N ATOM 1171 CA THR A 92 7.848 -5.225 1.342 1.00 0.00 C ATOM 1172 C THR A 92 7.422 -6.588 1.851 1.00 0.00 C ATOM 1173 O THR A 92 7.823 -7.014 2.932 1.00 0.00 O ATOM 1174 CB THR A 92 9.378 -5.090 1.440 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.771 -3.740 1.145 1.00 0.00 O ATOM 1176 CG2 THR A 92 10.068 -6.053 0.483 1.00 0.00 C ATOM 0 H THR A 92 7.536 -4.101 3.068 1.00 0.00 H new ATOM 0 HA THR A 92 7.573 -5.102 0.294 1.00 0.00 H new ATOM 0 HB THR A 92 9.681 -5.339 2.457 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.746 -3.661 1.211 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.149 -5.940 0.569 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.789 -7.077 0.733 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.761 -5.833 -0.539 1.00 0.00 H new ATOM 1184 N LEU A 93 6.574 -7.255 1.102 1.00 0.00 N ATOM 1185 CA LEU A 93 6.035 -8.507 1.569 1.00 0.00 C ATOM 1186 C LEU A 93 6.910 -9.663 1.114 1.00 0.00 C ATOM 1187 O LEU A 93 7.131 -9.852 -0.083 1.00 0.00 O ATOM 1188 CB LEU A 93 4.598 -8.702 1.099 1.00 0.00 C ATOM 1189 CG LEU A 93 3.746 -9.428 2.098 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.601 -8.579 3.337 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.397 -9.751 1.526 1.00 0.00 C ATOM 0 H LEU A 93 6.248 -6.957 0.183 1.00 0.00 H new ATOM 0 HA LEU A 93 6.027 -8.484 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.154 -7.728 0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.601 -9.257 0.161 1.00 0.00 H new ATOM 0 HG LEU A 93 4.230 -10.370 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.983 -9.102 4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.585 -8.389 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.130 -7.631 3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.802 -10.277 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.891 -8.828 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.517 -10.383 0.646 1.00 0.00 H new ATOM 1203 N THR A 94 7.408 -10.425 2.077 1.00 0.00 N ATOM 1204 CA THR A 94 8.315 -11.504 1.816 1.00 0.00 C ATOM 1205 C THR A 94 7.606 -12.856 1.935 1.00 0.00 C ATOM 1206 O THR A 94 6.998 -13.167 2.971 1.00 0.00 O ATOM 1207 CB THR A 94 9.484 -11.429 2.810 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.285 -10.272 2.547 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.321 -12.674 2.734 1.00 0.00 C ATOM 0 H THR A 94 7.185 -10.301 3.065 1.00 0.00 H new ATOM 0 HA THR A 94 8.691 -11.413 0.797 1.00 0.00 H new ATOM 0 HB THR A 94 9.077 -11.350 3.818 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.026 -10.234 3.188 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.144 -12.603 3.445 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.706 -13.541 2.976 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.721 -12.783 1.726 1.00 0.00 H new ATOM 1217 N PHE A 95 7.682 -13.641 0.865 1.00 0.00 N ATOM 1218 CA PHE A 95 7.048 -14.953 0.808 1.00 0.00 C ATOM 1219 C PHE A 95 8.076 -16.060 0.642 1.00 0.00 C ATOM 1220 O PHE A 95 9.052 -15.911 -0.097 1.00 0.00 O ATOM 1221 CB PHE A 95 6.065 -15.018 -0.356 1.00 0.00 C ATOM 1222 CG PHE A 95 4.821 -14.224 -0.137 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.802 -14.748 0.626 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.661 -12.973 -0.698 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.641 -14.047 0.836 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.499 -12.262 -0.496 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.485 -12.802 0.274 1.00 0.00 C ATOM 0 H PHE A 95 8.184 -13.386 0.015 1.00 0.00 H new ATOM 0 HA PHE A 95 6.520 -15.099 1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.560 -14.659 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.794 -16.059 -0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.918 -15.727 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.452 -12.549 -1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.853 -14.472 1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.380 -11.284 -0.938 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.572 -12.247 0.434 1.00 0.00 H new ATOM 1237 N ASN A 96 7.861 -17.158 1.352 1.00 0.00 N ATOM 1238 CA ASN A 96 8.696 -18.347 1.211 1.00 0.00 C ATOM 1239 C ASN A 96 8.348 -19.119 -0.065 1.00 0.00 C ATOM 1240 O ASN A 96 7.510 -18.677 -0.852 1.00 0.00 O ATOM 1241 CB ASN A 96 8.583 -19.251 2.447 1.00 0.00 C ATOM 1242 CG ASN A 96 7.167 -19.713 2.745 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.345 -19.904 1.846 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.873 -19.893 4.023 1.00 0.00 N ATOM 0 H ASN A 96 7.111 -17.252 2.037 1.00 0.00 H new ATOM 0 HA ASN A 96 9.732 -18.017 1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.218 -20.126 2.304 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.970 -18.715 3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.939 -20.200 4.293 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.581 -19.724 4.738 1.00 0.00 H new ATOM 1251 N SER A 97 8.962 -20.284 -0.245 1.00 0.00 N ATOM 1252 CA SER A 97 8.789 -21.082 -1.459 1.00 0.00 C ATOM 1253 C SER A 97 7.323 -21.445 -1.730 1.00 0.00 C ATOM 1254 O SER A 97 6.888 -21.478 -2.883 1.00 0.00 O ATOM 1255 CB SER A 97 9.626 -22.357 -1.348 1.00 0.00 C ATOM 1256 OG SER A 97 9.384 -23.010 -0.111 1.00 0.00 O ATOM 0 H SER A 97 9.591 -20.702 0.441 1.00 0.00 H new ATOM 0 HA SER A 97 9.125 -20.474 -2.299 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.386 -23.028 -2.172 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.685 -22.112 -1.434 1.00 0.00 H new ATOM 0 HG SER A 97 9.927 -23.824 -0.059 1.00 0.00 H new ATOM 1262 N SER A 98 6.555 -21.698 -0.674 1.00 0.00 N ATOM 1263 CA SER A 98 5.186 -22.171 -0.825 1.00 0.00 C ATOM 1264 C SER A 98 4.238 -21.010 -1.114 1.00 0.00 C ATOM 1265 O SER A 98 3.051 -21.206 -1.375 1.00 0.00 O ATOM 1266 CB SER A 98 4.758 -22.911 0.446 1.00 0.00 C ATOM 1267 OG SER A 98 3.504 -23.560 0.292 1.00 0.00 O ATOM 0 H SER A 98 6.858 -21.583 0.293 1.00 0.00 H new ATOM 0 HA SER A 98 5.141 -22.856 -1.672 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.517 -23.648 0.708 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.700 -22.204 1.274 1.00 0.00 H new ATOM 0 HG SER A 98 2.971 -23.086 -0.380 1.00 0.00 H new ATOM 1273 N GLY A 99 4.773 -19.799 -1.078 1.00 0.00 N ATOM 1274 CA GLY A 99 3.953 -18.630 -1.293 1.00 0.00 C ATOM 1275 C GLY A 99 3.264 -18.215 -0.019 1.00 0.00 C ATOM 1276 O GLY A 99 2.183 -17.632 -0.042 1.00 0.00 O ATOM 0 H GLY A 99 5.760 -19.607 -0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.570 -17.810 -1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.209 -18.839 -2.062 1.00 0.00 H new ATOM 1280 N VAL A 100 3.899 -18.535 1.095 1.00 0.00 N ATOM 1281 CA VAL A 100 3.360 -18.234 2.405 1.00 0.00 C ATOM 1282 C VAL A 100 4.105 -17.051 3.008 1.00 0.00 C ATOM 1283 O VAL A 100 5.327 -16.944 2.872 1.00 0.00 O ATOM 1284 CB VAL A 100 3.491 -19.451 3.344 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.716 -19.229 4.633 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.031 -20.723 2.642 1.00 0.00 C ATOM 0 H VAL A 100 4.801 -19.010 1.115 1.00 0.00 H new ATOM 0 HA VAL A 100 2.304 -17.989 2.293 1.00 0.00 H new ATOM 0 HB VAL A 100 4.543 -19.569 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.824 -20.101 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.105 -18.349 5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.662 -19.077 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.131 -21.570 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.988 -20.618 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.645 -20.893 1.757 1.00 0.00 H new ATOM 1296 N LEU A 101 3.363 -16.149 3.637 1.00 0.00 N ATOM 1297 CA LEU A 101 3.947 -14.994 4.281 1.00 0.00 C ATOM 1298 C LEU A 101 4.939 -15.384 5.349 1.00 0.00 C ATOM 1299 O LEU A 101 4.639 -16.181 6.238 1.00 0.00 O ATOM 1300 CB LEU A 101 2.861 -14.130 4.891 1.00 0.00 C ATOM 1301 CG LEU A 101 2.449 -12.958 4.030 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.403 -12.132 4.740 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.653 -12.111 3.694 1.00 0.00 C ATOM 0 H LEU A 101 2.347 -16.202 3.712 1.00 0.00 H new ATOM 0 HA LEU A 101 4.481 -14.432 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.986 -14.749 5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.208 -13.755 5.854 1.00 0.00 H new ATOM 0 HG LEU A 101 2.020 -13.336 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.114 -11.291 4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.528 -12.750 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.810 -11.759 5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.344 -11.270 3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.103 -11.738 4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.382 -12.713 3.152 1.00 0.00 H new ATOM 1315 N THR A 102 6.120 -14.817 5.246 1.00 0.00 N ATOM 1316 CA THR A 102 7.150 -15.033 6.244 1.00 0.00 C ATOM 1317 C THR A 102 7.452 -13.739 6.974 1.00 0.00 C ATOM 1318 O THR A 102 7.729 -13.736 8.174 1.00 0.00 O ATOM 1319 CB THR A 102 8.442 -15.573 5.607 1.00 0.00 C ATOM 1320 OG1 THR A 102 9.175 -14.513 4.986 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.104 -16.604 4.561 1.00 0.00 C ATOM 0 H THR A 102 6.394 -14.201 4.480 1.00 0.00 H new ATOM 0 HA THR A 102 6.776 -15.774 6.950 1.00 0.00 H new ATOM 0 HB THR A 102 9.049 -16.022 6.393 1.00 0.00 H new ATOM 0 HG1 THR A 102 10.063 -14.837 4.728 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.023 -16.983 4.113 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.560 -17.427 5.024 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.485 -16.149 3.788 1.00 0.00 H new ATOM 1329 N ASN A 103 7.392 -12.631 6.249 1.00 0.00 N ATOM 1330 CA ASN A 103 7.646 -11.333 6.856 1.00 0.00 C ATOM 1331 C ASN A 103 6.857 -10.223 6.175 1.00 0.00 C ATOM 1332 O ASN A 103 6.578 -10.281 4.975 1.00 0.00 O ATOM 1333 CB ASN A 103 9.134 -10.997 6.789 1.00 0.00 C ATOM 1334 CG ASN A 103 9.505 -9.826 7.675 1.00 0.00 C ATOM 1335 OD1 ASN A 103 8.919 -9.626 8.742 1.00 0.00 O ATOM 1336 ND2 ASN A 103 10.477 -9.044 7.241 1.00 0.00 N ATOM 0 H ASN A 103 7.173 -12.604 5.253 1.00 0.00 H new ATOM 0 HA ASN A 103 7.324 -11.398 7.895 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.714 -11.871 7.086 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.406 -10.769 5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.769 -8.239 7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.935 -9.246 6.352 1.00 0.00 H new ATOM 1343 N ILE A 104 6.507 -9.219 6.965 1.00 0.00 N ATOM 1344 CA ILE A 104 5.890 -7.999 6.463 1.00 0.00 C ATOM 1345 C ILE A 104 6.888 -6.869 6.681 1.00 0.00 C ATOM 1346 O ILE A 104 6.944 -6.287 7.765 1.00 0.00 O ATOM 1347 CB ILE A 104 4.586 -7.631 7.222 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.806 -8.877 7.670 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.702 -6.721 6.370 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.190 -9.688 6.555 1.00 0.00 C ATOM 0 H ILE A 104 6.643 -9.227 7.976 1.00 0.00 H new ATOM 0 HA ILE A 104 5.633 -8.150 5.415 1.00 0.00 H new ATOM 0 HB ILE A 104 4.880 -7.091 8.122 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.478 -9.521 8.237 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.014 -8.564 8.350 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.794 -6.476 6.921 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.243 -5.804 6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.438 -7.233 5.445 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.663 -10.544 6.976 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.488 -9.067 5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.974 -10.039 5.884 1.00 0.00 H new ATOM 1362 N ASP A 105 7.685 -6.567 5.672 1.00 0.00 N ATOM 1363 CA ASP A 105 8.816 -5.661 5.851 1.00 0.00 C ATOM 1364 C ASP A 105 8.456 -4.236 5.480 1.00 0.00 C ATOM 1365 O ASP A 105 8.496 -3.861 4.315 1.00 0.00 O ATOM 1366 CB ASP A 105 9.991 -6.119 4.998 1.00 0.00 C ATOM 1367 CG ASP A 105 11.298 -5.491 5.427 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.756 -5.779 6.555 1.00 0.00 O ATOM 1369 OD2 ASP A 105 11.886 -4.726 4.638 1.00 0.00 O ATOM 0 H ASP A 105 7.576 -6.930 4.725 1.00 0.00 H new ATOM 0 HA ASP A 105 9.089 -5.682 6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.077 -7.204 5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.797 -5.870 3.955 1.00 0.00 H new ATOM 1374 N ASN A 106 8.118 -3.434 6.466 1.00 0.00 N ATOM 1375 CA ASN A 106 7.756 -2.056 6.201 1.00 0.00 C ATOM 1376 C ASN A 106 8.845 -1.110 6.666 1.00 0.00 C ATOM 1377 O ASN A 106 9.012 -0.851 7.858 1.00 0.00 O ATOM 1378 CB ASN A 106 6.422 -1.702 6.843 1.00 0.00 C ATOM 1379 CG ASN A 106 6.033 -0.259 6.601 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.314 0.624 7.411 1.00 0.00 O ATOM 1381 ND2 ASN A 106 5.399 -0.008 5.468 1.00 0.00 N ATOM 0 H ASN A 106 8.086 -3.706 7.448 1.00 0.00 H new ATOM 0 HA ASN A 106 7.647 -1.945 5.122 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.646 -2.357 6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.477 -1.886 7.916 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.124 0.947 5.238 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.185 -0.769 4.824 1.00 0.00 H new ATOM 1388 N LYS A 107 9.592 -0.623 5.698 1.00 0.00 N ATOM 1389 CA LYS A 107 10.671 0.315 5.940 1.00 0.00 C ATOM 1390 C LYS A 107 10.524 1.551 5.074 1.00 0.00 C ATOM 1391 O LYS A 107 9.934 1.507 3.993 1.00 0.00 O ATOM 1392 CB LYS A 107 12.006 -0.346 5.644 1.00 0.00 C ATOM 1393 CG LYS A 107 12.137 -1.681 6.314 1.00 0.00 C ATOM 1394 CD LYS A 107 13.560 -2.211 6.263 1.00 0.00 C ATOM 1395 CE LYS A 107 13.703 -3.475 7.089 1.00 0.00 C ATOM 1396 NZ LYS A 107 14.947 -4.218 6.762 1.00 0.00 N ATOM 0 H LYS A 107 9.468 -0.867 4.715 1.00 0.00 H new ATOM 0 HA LYS A 107 10.628 0.615 6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.118 -0.469 4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.814 0.306 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.819 -1.597 7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.468 -2.394 5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.838 -2.415 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.248 -1.451 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.703 -3.217 8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.841 -4.119 6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.004 -5.074 7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.937 -4.487 5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.772 -3.613 6.950 1.00 0.00 H new