USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 519 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 79 LYS NZ :NH3+ -129:sc= -0.102 (180deg=0) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.144 K(o=-0.25,f=-2!) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= -0.92 USER MOD Set 2.2: A 71 GLN : amide:sc= -1.05 K(o=-2,f=-3!) USER MOD Single : A 28 MET CE :methyl 149:sc= -0.533 (180deg=-2.19!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 32 MET CE :methyl 161:sc= -2.31 (180deg=-3.2!) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -130:sc= -1.39 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00405 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 49 THR OG1 : rot -23:sc= -1.93 USER MOD Single : A 53 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-2.3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.25!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 170:sc= -6.22! (180deg=-6.34!) USER MOD Single : A 75 ASN : amide:sc= -3.19! C(o=-3.2!,f=-3.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0736 USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0112) USER MOD ----------------------------------------------------------------- ATOM 288 N PHE A 23 2.824 2.825 -1.748 1.00 0.00 N ATOM 289 CA PHE A 23 2.699 2.820 -0.296 1.00 0.00 C ATOM 290 C PHE A 23 1.368 3.427 0.138 1.00 0.00 C ATOM 291 O PHE A 23 0.810 3.053 1.170 1.00 0.00 O ATOM 292 CB PHE A 23 3.855 3.594 0.340 1.00 0.00 C ATOM 293 CG PHE A 23 5.204 2.993 0.062 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.409 1.629 0.185 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.267 3.795 -0.322 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.648 1.074 -0.071 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.509 3.246 -0.579 1.00 0.00 C ATOM 298 CZ PHE A 23 7.700 1.884 -0.453 1.00 0.00 C ATOM 0 HA PHE A 23 2.734 1.784 0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.840 4.620 -0.028 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.702 3.640 1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.590 0.991 0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.123 4.861 -0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.794 0.008 0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.329 3.881 -0.878 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.670 1.453 -0.653 1.00 0.00 H new ATOM 308 N LEU A 24 0.864 4.367 -0.656 1.00 0.00 N ATOM 309 CA LEU A 24 -0.401 5.026 -0.354 1.00 0.00 C ATOM 310 C LEU A 24 -1.580 4.100 -0.631 1.00 0.00 C ATOM 311 O LEU A 24 -1.571 3.340 -1.600 1.00 0.00 O ATOM 312 CB LEU A 24 -0.541 6.308 -1.176 1.00 0.00 C ATOM 313 CG LEU A 24 0.481 7.401 -0.855 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.694 8.305 -2.059 1.00 0.00 C ATOM 315 CD2 LEU A 24 0.031 8.211 0.351 1.00 0.00 C ATOM 0 H LEU A 24 1.313 4.689 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.404 5.279 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.458 6.054 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.542 6.712 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 24 1.431 6.925 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.424 9.076 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.062 7.714 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.251 8.775 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.769 8.984 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.931 8.677 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.068 7.553 1.215 1.00 0.00 H new ATOM 327 N ASP A 25 -2.596 4.168 0.225 1.00 0.00 N ATOM 328 CA ASP A 25 -3.783 3.337 0.070 1.00 0.00 C ATOM 329 C ASP A 25 -4.587 3.763 -1.157 1.00 0.00 C ATOM 330 O ASP A 25 -4.680 4.952 -1.463 1.00 0.00 O ATOM 331 CB ASP A 25 -4.657 3.423 1.324 1.00 0.00 C ATOM 332 CG ASP A 25 -5.210 2.075 1.739 1.00 0.00 C ATOM 333 OD1 ASP A 25 -4.406 1.149 1.974 1.00 0.00 O ATOM 334 OD2 ASP A 25 -6.449 1.943 1.829 1.00 0.00 O ATOM 0 H ASP A 25 -2.620 4.790 1.033 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.461 2.305 -0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.071 3.840 2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.483 4.110 1.141 1.00 0.00 H new ATOM 339 N PRO A 26 -5.181 2.799 -1.880 1.00 0.00 N ATOM 340 CA PRO A 26 -5.977 3.090 -3.078 1.00 0.00 C ATOM 341 C PRO A 26 -7.282 3.806 -2.746 1.00 0.00 C ATOM 342 O PRO A 26 -7.829 4.535 -3.575 1.00 0.00 O ATOM 343 CB PRO A 26 -6.262 1.706 -3.664 1.00 0.00 C ATOM 344 CG PRO A 26 -6.168 0.774 -2.507 1.00 0.00 C ATOM 345 CD PRO A 26 -5.125 1.353 -1.591 1.00 0.00 C ATOM 0 HA PRO A 26 -5.452 3.756 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.250 1.667 -4.123 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.540 1.448 -4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.128 0.686 -1.998 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.887 -0.227 -2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.348 1.143 -0.545 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.137 0.940 -1.795 1.00 0.00 H new ATOM 353 N ILE A 27 -7.779 3.593 -1.532 1.00 0.00 N ATOM 354 CA ILE A 27 -9.022 4.217 -1.096 1.00 0.00 C ATOM 355 C ILE A 27 -8.755 5.329 -0.086 1.00 0.00 C ATOM 356 O ILE A 27 -9.235 6.452 -0.244 1.00 0.00 O ATOM 357 CB ILE A 27 -9.975 3.186 -0.463 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.102 1.955 -1.364 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.341 3.809 -0.215 1.00 0.00 C ATOM 360 CD1 ILE A 27 -10.700 0.755 -0.665 1.00 0.00 C ATOM 0 H ILE A 27 -7.340 2.993 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.491 4.640 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.561 2.871 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.719 2.208 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.116 1.690 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.003 3.068 0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.237 4.658 0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.763 4.149 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.760 -0.080 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.072 0.476 0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.700 1.003 -0.308 1.00 0.00 H new ATOM 372 N MET A 28 -7.990 5.008 0.952 1.00 0.00 N ATOM 373 CA MET A 28 -7.662 5.979 1.989 1.00 0.00 C ATOM 374 C MET A 28 -6.701 7.042 1.463 1.00 0.00 C ATOM 375 O MET A 28 -6.690 8.174 1.947 1.00 0.00 O ATOM 376 CB MET A 28 -7.047 5.275 3.200 1.00 0.00 C ATOM 377 CG MET A 28 -8.079 4.714 4.165 1.00 0.00 C ATOM 378 SD MET A 28 -8.599 5.918 5.402 1.00 0.00 S ATOM 379 CE MET A 28 -9.954 6.718 4.546 1.00 0.00 C ATOM 0 H MET A 28 -7.586 4.083 1.097 1.00 0.00 H new ATOM 0 HA MET A 28 -8.586 6.471 2.292 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.408 4.464 2.852 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.408 5.979 3.733 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.950 4.376 3.603 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.664 3.840 4.666 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.697 7.050 5.271 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.577 7.578 3.993 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.413 6.013 3.853 1.00 0.00 H new ATOM 389 N SER A 29 -5.895 6.671 0.472 1.00 0.00 N ATOM 390 CA SER A 29 -4.933 7.597 -0.113 1.00 0.00 C ATOM 391 C SER A 29 -3.923 8.063 0.932 1.00 0.00 C ATOM 392 O SER A 29 -3.424 9.187 0.870 1.00 0.00 O ATOM 393 CB SER A 29 -5.654 8.804 -0.717 1.00 0.00 C ATOM 394 OG SER A 29 -5.935 8.595 -2.089 1.00 0.00 O ATOM 0 H SER A 29 -5.889 5.738 0.059 1.00 0.00 H new ATOM 0 HA SER A 29 -4.396 7.072 -0.903 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.583 8.985 -0.176 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.038 9.696 -0.600 1.00 0.00 H new ATOM 0 HG SER A 29 -6.397 9.379 -2.451 1.00 0.00 H new ATOM 400 N THR A 30 -3.628 7.192 1.891 1.00 0.00 N ATOM 401 CA THR A 30 -2.679 7.512 2.951 1.00 0.00 C ATOM 402 C THR A 30 -1.617 6.423 3.075 1.00 0.00 C ATOM 403 O THR A 30 -1.741 5.351 2.483 1.00 0.00 O ATOM 404 CB THR A 30 -3.409 7.683 4.284 1.00 0.00 C ATOM 405 OG1 THR A 30 -4.171 6.529 4.590 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.346 8.871 4.305 1.00 0.00 C ATOM 0 H THR A 30 -4.033 6.258 1.956 1.00 0.00 H new ATOM 0 HA THR A 30 -2.186 8.449 2.693 1.00 0.00 H new ATOM 0 HB THR A 30 -2.625 7.846 5.024 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.629 6.657 5.447 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.831 8.934 5.279 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.780 9.784 4.122 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.103 8.751 3.530 1.00 0.00 H new ATOM 414 N LEU A 31 -0.574 6.706 3.848 1.00 0.00 N ATOM 415 CA LEU A 31 0.510 5.750 4.049 1.00 0.00 C ATOM 416 C LEU A 31 -0.018 4.439 4.623 1.00 0.00 C ATOM 417 O LEU A 31 -0.699 4.429 5.649 1.00 0.00 O ATOM 418 CB LEU A 31 1.571 6.338 4.983 1.00 0.00 C ATOM 419 CG LEU A 31 3.011 5.940 4.658 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.480 6.628 3.385 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.931 6.279 5.820 1.00 0.00 C ATOM 0 H LEU A 31 -0.456 7.589 4.345 1.00 0.00 H new ATOM 0 HA LEU A 31 0.963 5.544 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.495 7.425 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.346 6.029 6.004 1.00 0.00 H new ATOM 0 HG LEU A 31 3.044 4.862 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.507 6.333 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.836 6.336 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.433 7.709 3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.952 5.989 5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.895 7.351 6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.607 5.740 6.710 1.00 0.00 H new ATOM 433 N MET A 32 0.298 3.336 3.953 1.00 0.00 N ATOM 434 CA MET A 32 -0.146 2.020 4.395 1.00 0.00 C ATOM 435 C MET A 32 0.867 1.395 5.350 1.00 0.00 C ATOM 436 O MET A 32 2.045 1.258 5.019 1.00 0.00 O ATOM 437 CB MET A 32 -0.363 1.101 3.191 1.00 0.00 C ATOM 438 CG MET A 32 -1.498 1.547 2.284 1.00 0.00 C ATOM 439 SD MET A 32 -1.782 0.406 0.916 1.00 0.00 S ATOM 440 CE MET A 32 -0.251 0.583 0.004 1.00 0.00 C ATOM 0 H MET A 32 0.860 3.328 3.102 1.00 0.00 H new ATOM 0 HA MET A 32 -1.090 2.143 4.925 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.558 1.053 2.610 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.568 0.091 3.547 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.412 1.640 2.871 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.273 2.537 1.886 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.120 -0.273 -0.657 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.284 1.497 -0.588 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.585 0.633 0.702 1.00 0.00 H new ATOM 450 N CYS A 33 0.398 1.015 6.535 1.00 0.00 N ATOM 451 CA CYS A 33 1.261 0.402 7.538 1.00 0.00 C ATOM 452 C CYS A 33 1.147 -1.118 7.496 1.00 0.00 C ATOM 453 O CYS A 33 2.110 -1.832 7.774 1.00 0.00 O ATOM 454 CB CYS A 33 0.901 0.916 8.933 1.00 0.00 C ATOM 455 SG CYS A 33 1.922 2.297 9.498 1.00 0.00 S ATOM 0 H CYS A 33 -0.575 1.121 6.823 1.00 0.00 H new ATOM 0 HA CYS A 33 2.292 0.677 7.313 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.144 1.226 8.936 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.992 0.096 9.645 1.00 0.00 H new ATOM 0 HG CYS A 33 1.540 2.662 10.686 1.00 0.00 H new ATOM 461 N ASP A 34 -0.039 -1.607 7.145 1.00 0.00 N ATOM 462 CA ASP A 34 -0.281 -3.042 7.065 1.00 0.00 C ATOM 463 C ASP A 34 -1.161 -3.379 5.864 1.00 0.00 C ATOM 464 O ASP A 34 -2.352 -3.657 6.014 1.00 0.00 O ATOM 465 CB ASP A 34 -0.939 -3.542 8.352 1.00 0.00 C ATOM 466 CG ASP A 34 -0.029 -3.410 9.557 1.00 0.00 C ATOM 467 OD1 ASP A 34 1.157 -3.789 9.449 1.00 0.00 O ATOM 468 OD2 ASP A 34 -0.501 -2.930 10.609 1.00 0.00 O ATOM 0 H ASP A 34 -0.847 -1.030 6.912 1.00 0.00 H new ATOM 0 HA ASP A 34 0.680 -3.541 6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.856 -2.980 8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.224 -4.587 8.229 1.00 0.00 H new ATOM 473 N PRO A 35 -0.585 -3.361 4.651 1.00 0.00 N ATOM 474 CA PRO A 35 -1.323 -3.666 3.421 1.00 0.00 C ATOM 475 C PRO A 35 -1.706 -5.139 3.326 1.00 0.00 C ATOM 476 O PRO A 35 -0.841 -6.012 3.258 1.00 0.00 O ATOM 477 CB PRO A 35 -0.335 -3.297 2.312 1.00 0.00 C ATOM 478 CG PRO A 35 1.007 -3.431 2.941 1.00 0.00 C ATOM 479 CD PRO A 35 0.830 -3.041 4.382 1.00 0.00 C ATOM 0 HA PRO A 35 -2.266 -3.123 3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.438 -3.960 1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.504 -2.282 1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.378 -4.453 2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.735 -2.786 2.449 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.500 -3.601 5.035 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.040 -1.983 4.541 1.00 0.00 H new ATOM 487 N VAL A 36 -3.007 -5.407 3.321 1.00 0.00 N ATOM 488 CA VAL A 36 -3.505 -6.775 3.233 1.00 0.00 C ATOM 489 C VAL A 36 -3.975 -7.099 1.820 1.00 0.00 C ATOM 490 O VAL A 36 -4.736 -6.340 1.218 1.00 0.00 O ATOM 491 CB VAL A 36 -4.667 -7.014 4.215 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.151 -7.101 5.644 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.711 -5.917 4.083 1.00 0.00 C ATOM 0 H VAL A 36 -3.736 -4.695 3.377 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.675 -7.431 3.497 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.139 -7.965 3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.987 -7.270 6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.444 -7.927 5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.652 -6.169 5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.524 -6.103 4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.255 -4.952 4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.104 -5.909 3.066 1.00 0.00 H new ATOM 503 N VAL A 37 -3.517 -8.231 1.294 1.00 0.00 N ATOM 504 CA VAL A 37 -3.889 -8.655 -0.050 1.00 0.00 C ATOM 505 C VAL A 37 -5.305 -9.219 -0.076 1.00 0.00 C ATOM 506 O VAL A 37 -5.623 -10.161 0.650 1.00 0.00 O ATOM 507 CB VAL A 37 -2.916 -9.718 -0.591 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.195 -10.002 -2.059 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.475 -9.274 -0.390 1.00 0.00 C ATOM 0 H VAL A 37 -2.888 -8.871 1.779 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.841 -7.771 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.069 -10.641 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.497 -10.756 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.215 -10.368 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.073 -9.086 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.801 -10.038 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.306 -8.337 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.284 -9.129 0.673 1.00 0.00 H new ATOM 519 N LEU A 38 -6.153 -8.638 -0.920 1.00 0.00 N ATOM 520 CA LEU A 38 -7.536 -9.084 -1.042 1.00 0.00 C ATOM 521 C LEU A 38 -7.637 -10.274 -1.995 1.00 0.00 C ATOM 522 O LEU A 38 -7.295 -10.163 -3.171 1.00 0.00 O ATOM 523 CB LEU A 38 -8.420 -7.940 -1.543 1.00 0.00 C ATOM 524 CG LEU A 38 -8.413 -6.685 -0.669 1.00 0.00 C ATOM 525 CD1 LEU A 38 -8.983 -5.500 -1.432 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.198 -6.925 0.612 1.00 0.00 C ATOM 0 H LEU A 38 -5.906 -7.858 -1.529 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.882 -9.396 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.098 -7.666 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.445 -8.302 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.381 -6.456 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.970 -4.616 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.379 -5.315 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.009 -5.718 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.183 -6.022 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.229 -7.179 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.745 -7.746 1.168 1.00 0.00 H new ATOM 538 N PRO A 39 -8.107 -11.435 -1.504 1.00 0.00 N ATOM 539 CA PRO A 39 -8.245 -12.640 -2.328 1.00 0.00 C ATOM 540 C PRO A 39 -9.412 -12.558 -3.311 1.00 0.00 C ATOM 541 O PRO A 39 -9.621 -13.468 -4.113 1.00 0.00 O ATOM 542 CB PRO A 39 -8.494 -13.743 -1.298 1.00 0.00 C ATOM 543 CG PRO A 39 -9.141 -13.045 -0.152 1.00 0.00 C ATOM 544 CD PRO A 39 -8.539 -11.667 -0.111 1.00 0.00 C ATOM 0 HA PRO A 39 -7.367 -12.803 -2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.138 -14.524 -1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.562 -14.222 -0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.222 -12.995 -0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.960 -13.578 0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.265 -10.922 0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.700 -11.617 0.583 1.00 0.00 H new ATOM 552 N SER A 40 -10.173 -11.468 -3.245 1.00 0.00 N ATOM 553 CA SER A 40 -11.317 -11.284 -4.131 1.00 0.00 C ATOM 554 C SER A 40 -10.941 -10.448 -5.353 1.00 0.00 C ATOM 555 O SER A 40 -10.898 -10.955 -6.474 1.00 0.00 O ATOM 556 CB SER A 40 -12.468 -10.614 -3.376 1.00 0.00 C ATOM 557 OG SER A 40 -13.714 -11.186 -3.737 1.00 0.00 O ATOM 0 H SER A 40 -10.018 -10.702 -2.589 1.00 0.00 H new ATOM 0 HA SER A 40 -11.636 -12.268 -4.475 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.313 -10.719 -2.302 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.477 -9.546 -3.594 1.00 0.00 H new ATOM 0 HG SER A 40 -14.433 -10.743 -3.241 1.00 0.00 H new ATOM 563 N SER A 41 -10.679 -9.163 -5.131 1.00 0.00 N ATOM 564 CA SER A 41 -10.317 -8.258 -6.217 1.00 0.00 C ATOM 565 C SER A 41 -8.807 -8.233 -6.455 1.00 0.00 C ATOM 566 O SER A 41 -8.330 -7.556 -7.366 1.00 0.00 O ATOM 567 CB SER A 41 -10.816 -6.844 -5.912 1.00 0.00 C ATOM 568 OG SER A 41 -10.091 -6.268 -4.838 1.00 0.00 O ATOM 0 H SER A 41 -10.711 -8.726 -4.210 1.00 0.00 H new ATOM 0 HA SER A 41 -10.794 -8.627 -7.125 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.714 -6.220 -6.800 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.877 -6.875 -5.664 1.00 0.00 H new ATOM 0 HG SER A 41 -10.718 -5.903 -4.179 1.00 0.00 H new ATOM 574 N ARG A 42 -8.056 -8.967 -5.637 1.00 0.00 N ATOM 575 CA ARG A 42 -6.605 -9.013 -5.776 1.00 0.00 C ATOM 576 C ARG A 42 -5.999 -7.621 -5.612 1.00 0.00 C ATOM 577 O ARG A 42 -4.954 -7.317 -6.188 1.00 0.00 O ATOM 578 CB ARG A 42 -6.218 -9.592 -7.137 1.00 0.00 C ATOM 579 CG ARG A 42 -6.331 -11.108 -7.206 1.00 0.00 C ATOM 580 CD ARG A 42 -7.395 -11.548 -8.201 1.00 0.00 C ATOM 581 NE ARG A 42 -8.266 -12.584 -7.649 1.00 0.00 N ATOM 582 CZ ARG A 42 -7.874 -13.835 -7.421 1.00 0.00 C ATOM 583 NH1 ARG A 42 -6.631 -14.210 -7.694 1.00 0.00 N ATOM 584 NH2 ARG A 42 -8.730 -14.715 -6.918 1.00 0.00 N ATOM 0 H ARG A 42 -8.427 -9.535 -4.875 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.211 -9.658 -4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.855 -9.153 -7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.193 -9.301 -7.369 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.368 -11.532 -7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.572 -11.500 -6.218 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.996 -10.687 -8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.914 -11.922 -9.104 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.229 -12.334 -7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.969 -13.538 -8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.338 -15.171 -7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.687 -14.432 -6.707 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.431 -15.674 -6.743 1.00 0.00 H new ATOM 598 N VAL A 43 -6.663 -6.781 -4.826 1.00 0.00 N ATOM 599 CA VAL A 43 -6.192 -5.422 -4.587 1.00 0.00 C ATOM 600 C VAL A 43 -5.623 -5.279 -3.179 1.00 0.00 C ATOM 601 O VAL A 43 -6.223 -5.735 -2.206 1.00 0.00 O ATOM 602 CB VAL A 43 -7.322 -4.394 -4.780 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.774 -2.977 -4.705 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.035 -4.628 -6.103 1.00 0.00 C ATOM 0 H VAL A 43 -7.530 -7.018 -4.343 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.406 -5.226 -5.316 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.046 -4.521 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.587 -2.265 -4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.313 -2.816 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.029 -2.833 -5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.830 -3.892 -6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.323 -4.529 -6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.463 -5.630 -6.113 1.00 0.00 H new ATOM 614 N THR A 44 -4.461 -4.641 -3.078 1.00 0.00 N ATOM 615 CA THR A 44 -3.811 -4.437 -1.790 1.00 0.00 C ATOM 616 C THR A 44 -4.386 -3.218 -1.076 1.00 0.00 C ATOM 617 O THR A 44 -4.346 -2.104 -1.599 1.00 0.00 O ATOM 618 CB THR A 44 -2.303 -4.267 -1.978 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.856 -4.983 -3.116 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.494 -4.742 -0.790 1.00 0.00 C ATOM 0 H THR A 44 -3.951 -4.257 -3.873 1.00 0.00 H new ATOM 0 HA THR A 44 -3.997 -5.317 -1.174 1.00 0.00 H new ATOM 0 HB THR A 44 -2.146 -3.195 -2.098 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.889 -4.861 -3.221 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.433 -4.593 -0.989 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.780 -4.174 0.095 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.686 -5.801 -0.619 1.00 0.00 H new ATOM 628 N VAL A 45 -4.921 -3.436 0.121 1.00 0.00 N ATOM 629 CA VAL A 45 -5.503 -2.356 0.906 1.00 0.00 C ATOM 630 C VAL A 45 -5.162 -2.506 2.385 1.00 0.00 C ATOM 631 O VAL A 45 -4.856 -3.602 2.852 1.00 0.00 O ATOM 632 CB VAL A 45 -7.035 -2.307 0.748 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.413 -1.966 -0.685 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.657 -3.629 1.170 1.00 0.00 C ATOM 0 H VAL A 45 -4.963 -4.352 0.568 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.076 -1.427 0.529 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.424 -1.524 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.499 -1.936 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.999 -0.993 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.012 -2.725 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.739 -3.576 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.263 -4.432 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.415 -3.828 2.214 1.00 0.00 H new ATOM 644 N ASP A 46 -5.215 -1.397 3.114 1.00 0.00 N ATOM 645 CA ASP A 46 -4.911 -1.405 4.541 1.00 0.00 C ATOM 646 C ASP A 46 -5.858 -2.336 5.294 1.00 0.00 C ATOM 647 O ASP A 46 -7.054 -2.387 5.006 1.00 0.00 O ATOM 648 CB ASP A 46 -5.006 0.012 5.110 1.00 0.00 C ATOM 649 CG ASP A 46 -3.644 0.602 5.424 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.687 0.314 4.675 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.536 1.353 6.416 1.00 0.00 O ATOM 0 H ASP A 46 -5.465 -0.481 2.741 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.893 -1.773 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.521 0.654 4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.610 -0.003 6.017 1.00 0.00 H new ATOM 656 N ARG A 47 -5.313 -3.069 6.259 1.00 0.00 N ATOM 657 CA ARG A 47 -6.108 -3.997 7.055 1.00 0.00 C ATOM 658 C ARG A 47 -7.239 -3.269 7.773 1.00 0.00 C ATOM 659 O ARG A 47 -8.307 -3.835 8.007 1.00 0.00 O ATOM 660 CB ARG A 47 -5.221 -4.717 8.072 1.00 0.00 C ATOM 661 CG ARG A 47 -5.859 -5.967 8.659 1.00 0.00 C ATOM 662 CD ARG A 47 -6.371 -5.722 10.069 1.00 0.00 C ATOM 663 NE ARG A 47 -5.281 -5.512 11.019 1.00 0.00 N ATOM 664 CZ ARG A 47 -5.438 -4.945 12.213 1.00 0.00 C ATOM 665 NH1 ARG A 47 -6.635 -4.529 12.607 1.00 0.00 N ATOM 666 NH2 ARG A 47 -4.393 -4.792 13.016 1.00 0.00 N ATOM 0 H ARG A 47 -4.325 -3.039 6.509 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.546 -4.732 6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.281 -4.990 7.593 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.978 -4.029 8.882 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.683 -6.289 8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.130 -6.777 8.671 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.026 -4.851 10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.972 -6.573 10.389 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.345 -5.818 10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.442 -4.643 11.994 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.748 -4.095 13.523 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.470 -5.109 12.718 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.512 -4.358 13.931 1.00 0.00 H new ATOM 680 N SER A 48 -6.998 -2.009 8.121 1.00 0.00 N ATOM 681 CA SER A 48 -7.995 -1.202 8.812 1.00 0.00 C ATOM 682 C SER A 48 -8.989 -0.603 7.824 1.00 0.00 C ATOM 683 O SER A 48 -10.158 -0.397 8.151 1.00 0.00 O ATOM 684 CB SER A 48 -7.316 -0.087 9.610 1.00 0.00 C ATOM 685 OG SER A 48 -6.336 0.575 8.830 1.00 0.00 O ATOM 0 H SER A 48 -6.120 -1.525 7.935 1.00 0.00 H new ATOM 0 HA SER A 48 -8.539 -1.851 9.499 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.064 0.631 9.946 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.852 -0.506 10.503 1.00 0.00 H new ATOM 0 HG SER A 48 -5.918 1.284 9.362 1.00 0.00 H new ATOM 691 N THR A 49 -8.517 -0.324 6.614 1.00 0.00 N ATOM 692 CA THR A 49 -9.365 0.252 5.576 1.00 0.00 C ATOM 693 C THR A 49 -10.403 -0.758 5.097 1.00 0.00 C ATOM 694 O THR A 49 -11.536 -0.395 4.783 1.00 0.00 O ATOM 695 CB THR A 49 -8.514 0.725 4.396 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.511 1.626 4.831 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.318 1.420 3.319 1.00 0.00 C ATOM 0 H THR A 49 -7.552 -0.487 6.327 1.00 0.00 H new ATOM 0 HA THR A 49 -9.888 1.107 6.004 1.00 0.00 H new ATOM 0 HB THR A 49 -8.077 -0.180 3.974 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.784 2.035 5.678 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.654 1.730 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.070 0.735 2.927 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.810 2.296 3.741 1.00 0.00 H new ATOM 705 N ILE A 50 -10.007 -2.025 5.045 1.00 0.00 N ATOM 706 CA ILE A 50 -10.902 -3.087 4.604 1.00 0.00 C ATOM 707 C ILE A 50 -11.882 -3.471 5.709 1.00 0.00 C ATOM 708 O ILE A 50 -13.066 -3.684 5.454 1.00 0.00 O ATOM 709 CB ILE A 50 -10.116 -4.340 4.164 1.00 0.00 C ATOM 710 CG1 ILE A 50 -11.067 -5.394 3.594 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.322 -4.911 5.330 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.804 -4.937 2.354 1.00 0.00 C ATOM 0 H ILE A 50 -9.072 -2.341 5.303 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.457 -2.701 3.749 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.414 -4.049 3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.499 -6.294 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.794 -5.667 4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.775 -5.794 5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.618 -4.162 5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.004 -5.187 6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.460 -5.735 2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.399 -4.055 2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.085 -4.692 1.573 1.00 0.00 H new ATOM 724 N ALA A 51 -11.378 -3.556 6.937 1.00 0.00 N ATOM 725 CA ALA A 51 -12.210 -3.913 8.082 1.00 0.00 C ATOM 726 C ALA A 51 -13.410 -2.980 8.203 1.00 0.00 C ATOM 727 O ALA A 51 -14.528 -3.423 8.465 1.00 0.00 O ATOM 728 CB ALA A 51 -11.386 -3.883 9.360 1.00 0.00 C ATOM 0 H ALA A 51 -10.399 -3.383 7.165 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.585 -4.924 7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.018 -4.151 10.207 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.565 -4.595 9.280 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.984 -2.881 9.510 1.00 0.00 H new ATOM 734 N ARG A 52 -13.171 -1.688 8.006 1.00 0.00 N ATOM 735 CA ARG A 52 -14.233 -0.694 8.089 1.00 0.00 C ATOM 736 C ARG A 52 -15.325 -0.982 7.064 1.00 0.00 C ATOM 737 O ARG A 52 -16.501 -0.704 7.297 1.00 0.00 O ATOM 738 CB ARG A 52 -13.665 0.711 7.870 1.00 0.00 C ATOM 739 CG ARG A 52 -14.199 1.743 8.851 1.00 0.00 C ATOM 740 CD ARG A 52 -13.076 2.547 9.487 1.00 0.00 C ATOM 741 NE ARG A 52 -12.929 3.865 8.872 1.00 0.00 N ATOM 742 CZ ARG A 52 -12.214 4.855 9.401 1.00 0.00 C ATOM 743 NH1 ARG A 52 -11.577 4.680 10.553 1.00 0.00 N ATOM 744 NH2 ARG A 52 -12.133 6.021 8.777 1.00 0.00 N ATOM 0 H ARG A 52 -12.251 -1.305 7.788 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.672 -0.747 9.085 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.579 0.672 7.952 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.896 1.033 6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.882 2.417 8.334 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.774 1.242 9.630 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.273 2.664 10.553 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.139 1.997 9.394 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.402 4.036 7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.634 3.784 11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.030 5.442 10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.619 6.160 7.891 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.585 6.780 9.183 1.00 0.00 H new ATOM 758 N HIS A 53 -14.925 -1.545 5.928 1.00 0.00 N ATOM 759 CA HIS A 53 -15.867 -1.876 4.865 1.00 0.00 C ATOM 760 C HIS A 53 -16.583 -3.192 5.158 1.00 0.00 C ATOM 761 O HIS A 53 -17.671 -3.444 4.641 1.00 0.00 O ATOM 762 CB HIS A 53 -15.142 -1.967 3.522 1.00 0.00 C ATOM 763 CG HIS A 53 -16.062 -1.940 2.342 1.00 0.00 C ATOM 764 ND1 HIS A 53 -16.972 -0.934 2.102 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.204 -2.825 1.324 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.625 -1.233 0.970 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.196 -2.371 0.459 1.00 0.00 N ATOM 0 H HIS A 53 -13.955 -1.781 5.720 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.612 -1.082 4.816 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.437 -1.139 3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.557 -2.887 3.496 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -17.122 -0.109 2.682 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.638 -3.737 1.204 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.401 -0.622 0.533 1.00 0.00 H new ATOM 775 N LEU A 54 -15.968 -4.027 5.991 1.00 0.00 N ATOM 776 CA LEU A 54 -16.549 -5.314 6.351 1.00 0.00 C ATOM 777 C LEU A 54 -17.332 -5.216 7.659 1.00 0.00 C ATOM 778 O LEU A 54 -17.413 -6.181 8.418 1.00 0.00 O ATOM 779 CB LEU A 54 -15.453 -6.374 6.479 1.00 0.00 C ATOM 780 CG LEU A 54 -14.585 -6.563 5.234 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.586 -7.691 5.445 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.453 -6.839 4.016 1.00 0.00 C ATOM 0 H LEU A 54 -15.067 -3.834 6.429 1.00 0.00 H new ATOM 0 HA LEU A 54 -17.238 -5.605 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.808 -6.108 7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.919 -7.328 6.727 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.030 -5.642 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.977 -7.811 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.942 -7.453 6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.122 -8.619 5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.819 -6.971 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.035 -7.745 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.128 -5.999 3.852 1.00 0.00 H new ATOM 794 N LEU A 55 -17.907 -4.044 7.914 1.00 0.00 N ATOM 795 CA LEU A 55 -18.683 -3.823 9.128 1.00 0.00 C ATOM 796 C LEU A 55 -20.140 -4.226 8.921 1.00 0.00 C ATOM 797 O LEU A 55 -20.655 -5.108 9.608 1.00 0.00 O ATOM 798 CB LEU A 55 -18.604 -2.354 9.549 1.00 0.00 C ATOM 799 CG LEU A 55 -17.277 -1.933 10.182 1.00 0.00 C ATOM 800 CD1 LEU A 55 -17.194 -0.418 10.290 1.00 0.00 C ATOM 801 CD2 LEU A 55 -17.111 -2.576 11.550 1.00 0.00 C ATOM 0 H LEU A 55 -17.850 -3.234 7.296 1.00 0.00 H new ATOM 0 HA LEU A 55 -18.260 -4.443 9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.785 -1.731 8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.408 -2.151 10.257 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.466 -2.276 9.540 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.243 -0.137 10.743 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.267 0.022 9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.013 -0.052 10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.161 -2.265 11.985 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.928 -2.263 12.200 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -17.125 -3.661 11.446 1.00 0.00 H new ATOM 813 N SER A 56 -20.797 -3.575 7.967 1.00 0.00 N ATOM 814 CA SER A 56 -22.194 -3.865 7.666 1.00 0.00 C ATOM 815 C SER A 56 -22.307 -4.804 6.469 1.00 0.00 C ATOM 816 O SER A 56 -23.231 -5.613 6.386 1.00 0.00 O ATOM 817 CB SER A 56 -22.958 -2.569 7.387 1.00 0.00 C ATOM 818 OG SER A 56 -22.901 -1.693 8.499 1.00 0.00 O ATOM 0 H SER A 56 -20.384 -2.843 7.389 1.00 0.00 H new ATOM 0 HA SER A 56 -22.633 -4.356 8.534 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.537 -2.077 6.510 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.998 -2.799 7.155 1.00 0.00 H new ATOM 0 HG SER A 56 -23.395 -0.872 8.294 1.00 0.00 H new ATOM 824 N ASP A 57 -21.359 -4.690 5.545 1.00 0.00 N ATOM 825 CA ASP A 57 -21.351 -5.528 4.351 1.00 0.00 C ATOM 826 C ASP A 57 -20.020 -6.263 4.213 1.00 0.00 C ATOM 827 O ASP A 57 -19.033 -5.696 3.747 1.00 0.00 O ATOM 828 CB ASP A 57 -21.609 -4.680 3.104 1.00 0.00 C ATOM 829 CG ASP A 57 -22.874 -3.852 3.220 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.799 -4.279 3.942 1.00 0.00 O ATOM 831 OD2 ASP A 57 -22.940 -2.778 2.585 1.00 0.00 O ATOM 0 H ASP A 57 -20.587 -4.026 5.600 1.00 0.00 H new ATOM 0 HA ASP A 57 -22.147 -6.266 4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.759 -4.019 2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.683 -5.332 2.234 1.00 0.00 H new ATOM 836 N GLN A 58 -20.003 -7.527 4.623 1.00 0.00 N ATOM 837 CA GLN A 58 -18.793 -8.338 4.545 1.00 0.00 C ATOM 838 C GLN A 58 -18.427 -8.631 3.094 1.00 0.00 C ATOM 839 O GLN A 58 -18.668 -9.729 2.592 1.00 0.00 O ATOM 840 CB GLN A 58 -18.984 -9.648 5.313 1.00 0.00 C ATOM 841 CG GLN A 58 -18.471 -9.596 6.743 1.00 0.00 C ATOM 842 CD GLN A 58 -19.589 -9.461 7.757 1.00 0.00 C ATOM 843 OE1 GLN A 58 -20.142 -10.456 8.226 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.929 -8.224 8.103 1.00 0.00 N ATOM 0 H GLN A 58 -20.812 -8.011 5.012 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.977 -7.776 4.998 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -20.044 -9.901 5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.471 -10.449 4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.901 -10.501 6.954 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.785 -8.755 6.849 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -19.444 -7.427 7.690 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.675 -8.071 8.782 1.00 0.00 H new ATOM 853 N THR A 59 -17.842 -7.643 2.426 1.00 0.00 N ATOM 854 CA THR A 59 -17.442 -7.796 1.031 1.00 0.00 C ATOM 855 C THR A 59 -16.352 -6.793 0.665 1.00 0.00 C ATOM 856 O THR A 59 -15.984 -5.939 1.471 1.00 0.00 O ATOM 857 CB THR A 59 -18.649 -7.616 0.110 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.355 -6.432 0.435 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.630 -8.767 0.178 1.00 0.00 C ATOM 0 H THR A 59 -17.634 -6.728 2.827 1.00 0.00 H new ATOM 0 HA THR A 59 -17.043 -8.802 0.901 1.00 0.00 H new ATOM 0 HB THR A 59 -18.238 -7.568 -0.899 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.123 -6.333 -0.166 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.462 -8.576 -0.499 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.129 -9.690 -0.114 1.00 0.00 H new ATOM 0 HG23 THR A 59 -20.006 -8.865 1.196 1.00 0.00 H new ATOM 867 N ASP A 60 -15.842 -6.902 -0.559 1.00 0.00 N ATOM 868 CA ASP A 60 -14.796 -6.003 -1.033 1.00 0.00 C ATOM 869 C ASP A 60 -15.400 -4.720 -1.600 1.00 0.00 C ATOM 870 O ASP A 60 -16.484 -4.739 -2.184 1.00 0.00 O ATOM 871 CB ASP A 60 -13.943 -6.697 -2.097 1.00 0.00 C ATOM 872 CG ASP A 60 -12.546 -7.016 -1.601 1.00 0.00 C ATOM 873 OD1 ASP A 60 -12.055 -6.297 -0.705 1.00 0.00 O ATOM 874 OD2 ASP A 60 -11.943 -7.985 -2.106 1.00 0.00 O ATOM 0 H ASP A 60 -16.136 -7.603 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.162 -5.740 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.434 -7.619 -2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.876 -6.059 -2.978 1.00 0.00 H new ATOM 879 N PRO A 61 -14.705 -3.581 -1.435 1.00 0.00 N ATOM 880 CA PRO A 61 -15.181 -2.287 -1.933 1.00 0.00 C ATOM 881 C PRO A 61 -15.030 -2.145 -3.446 1.00 0.00 C ATOM 882 O PRO A 61 -15.511 -1.178 -4.035 1.00 0.00 O ATOM 883 CB PRO A 61 -14.281 -1.286 -1.211 1.00 0.00 C ATOM 884 CG PRO A 61 -13.012 -2.027 -0.971 1.00 0.00 C ATOM 885 CD PRO A 61 -13.402 -3.465 -0.749 1.00 0.00 C ATOM 0 HA PRO A 61 -16.245 -2.146 -1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.112 -0.396 -1.817 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.729 -0.954 -0.275 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.339 -1.933 -1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.486 -1.628 -0.104 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.665 -4.150 -1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.485 -3.699 0.312 1.00 0.00 H new ATOM 893 N PHE A 62 -14.358 -3.109 -4.071 1.00 0.00 N ATOM 894 CA PHE A 62 -14.147 -3.076 -5.514 1.00 0.00 C ATOM 895 C PHE A 62 -14.931 -4.184 -6.213 1.00 0.00 C ATOM 896 O PHE A 62 -15.643 -3.935 -7.184 1.00 0.00 O ATOM 897 CB PHE A 62 -12.657 -3.213 -5.835 1.00 0.00 C ATOM 898 CG PHE A 62 -11.779 -2.326 -4.997 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.699 -0.967 -5.255 1.00 0.00 C ATOM 900 CD2 PHE A 62 -11.035 -2.853 -3.954 1.00 0.00 C ATOM 901 CE1 PHE A 62 -10.892 -0.149 -4.486 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.228 -2.040 -3.182 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.156 -0.686 -3.449 1.00 0.00 C ATOM 0 H PHE A 62 -13.952 -3.919 -3.602 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.508 -2.116 -5.883 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.356 -4.251 -5.690 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.497 -2.979 -6.888 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.273 -0.542 -6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.086 -3.911 -3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.838 0.909 -4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.654 -2.462 -2.370 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.525 -0.049 -2.847 1.00 0.00 H new ATOM 913 N ASN A 63 -14.789 -5.409 -5.715 1.00 0.00 N ATOM 914 CA ASN A 63 -15.481 -6.554 -6.299 1.00 0.00 C ATOM 915 C ASN A 63 -16.877 -6.719 -5.705 1.00 0.00 C ATOM 916 O ASN A 63 -17.786 -7.223 -6.365 1.00 0.00 O ATOM 917 CB ASN A 63 -14.668 -7.830 -6.082 1.00 0.00 C ATOM 918 CG ASN A 63 -15.055 -8.933 -7.048 1.00 0.00 C ATOM 919 OD1 ASN A 63 -16.234 -9.130 -7.344 1.00 0.00 O ATOM 920 ND2 ASN A 63 -14.061 -9.660 -7.545 1.00 0.00 N ATOM 0 H ASN A 63 -14.203 -5.634 -4.911 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.586 -6.372 -7.369 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.607 -7.606 -6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.811 -8.179 -5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.260 -10.416 -8.200 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.098 -9.462 -7.272 1.00 0.00 H new ATOM 927 N ARG A 64 -17.040 -6.298 -4.455 1.00 0.00 N ATOM 928 CA ARG A 64 -18.327 -6.405 -3.775 1.00 0.00 C ATOM 929 C ARG A 64 -18.727 -7.867 -3.600 1.00 0.00 C ATOM 930 O ARG A 64 -19.912 -8.199 -3.594 1.00 0.00 O ATOM 931 CB ARG A 64 -19.409 -5.658 -4.558 1.00 0.00 C ATOM 932 CG ARG A 64 -20.630 -5.306 -3.725 1.00 0.00 C ATOM 933 CD ARG A 64 -20.480 -3.949 -3.053 1.00 0.00 C ATOM 934 NE ARG A 64 -21.607 -3.067 -3.346 1.00 0.00 N ATOM 935 CZ ARG A 64 -22.790 -3.150 -2.742 1.00 0.00 C ATOM 936 NH1 ARG A 64 -23.005 -4.074 -1.814 1.00 0.00 N ATOM 937 NH2 ARG A 64 -23.760 -2.307 -3.066 1.00 0.00 N ATOM 0 H ARG A 64 -16.299 -5.880 -3.893 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.227 -5.952 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.983 -4.742 -4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.721 -6.270 -5.404 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -21.515 -5.301 -4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.786 -6.073 -2.966 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.397 -4.085 -1.975 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -19.555 -3.479 -3.387 1.00 0.00 H new ATOM 0 HE ARG A 64 -21.480 -2.345 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -22.262 -4.725 -1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -23.914 -4.133 -1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -23.600 -1.595 -3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -24.667 -2.371 -2.603 1.00 0.00 H new ATOM 951 N SER A 65 -17.730 -8.734 -3.457 1.00 0.00 N ATOM 952 CA SER A 65 -17.978 -10.161 -3.282 1.00 0.00 C ATOM 953 C SER A 65 -17.664 -10.596 -1.852 1.00 0.00 C ATOM 954 O SER A 65 -17.106 -9.827 -1.069 1.00 0.00 O ATOM 955 CB SER A 65 -17.138 -10.970 -4.273 1.00 0.00 C ATOM 956 OG SER A 65 -17.927 -11.429 -5.356 1.00 0.00 O ATOM 0 H SER A 65 -16.744 -8.474 -3.459 1.00 0.00 H new ATOM 0 HA SER A 65 -19.034 -10.349 -3.475 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.321 -10.354 -4.650 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.686 -11.820 -3.762 1.00 0.00 H new ATOM 0 HG SER A 65 -17.366 -11.941 -5.975 1.00 0.00 H new ATOM 962 N PRO A 66 -18.018 -11.842 -1.491 1.00 0.00 N ATOM 963 CA PRO A 66 -17.770 -12.376 -0.148 1.00 0.00 C ATOM 964 C PRO A 66 -16.325 -12.177 0.299 1.00 0.00 C ATOM 965 O PRO A 66 -15.390 -12.570 -0.398 1.00 0.00 O ATOM 966 CB PRO A 66 -18.083 -13.866 -0.296 1.00 0.00 C ATOM 967 CG PRO A 66 -19.060 -13.935 -1.419 1.00 0.00 C ATOM 968 CD PRO A 66 -18.687 -12.826 -2.364 1.00 0.00 C ATOM 0 HA PRO A 66 -18.372 -11.872 0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.183 -14.440 -0.517 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.505 -14.276 0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.014 -14.904 -1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -20.080 -13.811 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.024 -13.178 -3.154 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.565 -12.400 -2.850 1.00 0.00 H new ATOM 976 N LEU A 67 -16.152 -11.564 1.465 1.00 0.00 N ATOM 977 CA LEU A 67 -14.821 -11.312 2.006 1.00 0.00 C ATOM 978 C LEU A 67 -14.885 -11.043 3.506 1.00 0.00 C ATOM 979 O LEU A 67 -15.838 -10.441 3.999 1.00 0.00 O ATOM 980 CB LEU A 67 -14.173 -10.124 1.292 1.00 0.00 C ATOM 981 CG LEU A 67 -12.785 -9.737 1.808 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.708 -10.541 1.097 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.549 -8.245 1.625 1.00 0.00 C ATOM 0 H LEU A 67 -16.916 -11.233 2.054 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.215 -12.203 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.097 -10.355 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.832 -9.261 1.384 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.735 -9.966 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.728 -10.252 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.868 -11.604 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.754 -10.344 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.558 -7.985 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.617 -7.993 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.303 -7.687 2.180 1.00 0.00 H new ATOM 995 N THR A 68 -13.863 -11.494 4.226 1.00 0.00 N ATOM 996 CA THR A 68 -13.802 -11.302 5.671 1.00 0.00 C ATOM 997 C THR A 68 -12.400 -10.887 6.106 1.00 0.00 C ATOM 998 O THR A 68 -11.511 -10.701 5.275 1.00 0.00 O ATOM 999 CB THR A 68 -14.215 -12.584 6.395 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.381 -13.664 6.017 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.647 -12.992 6.120 1.00 0.00 C ATOM 0 H THR A 68 -13.066 -11.995 3.833 1.00 0.00 H new ATOM 0 HA THR A 68 -14.496 -10.504 5.936 1.00 0.00 H new ATOM 0 HB THR A 68 -14.115 -12.361 7.457 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.660 -14.475 6.492 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.875 -13.909 6.664 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.320 -12.199 6.447 1.00 0.00 H new ATOM 0 HG23 THR A 68 -15.778 -13.162 5.051 1.00 0.00 H new ATOM 1009 N MET A 69 -12.210 -10.743 7.413 1.00 0.00 N ATOM 1010 CA MET A 69 -10.916 -10.349 7.959 1.00 0.00 C ATOM 1011 C MET A 69 -9.923 -11.506 7.901 1.00 0.00 C ATOM 1012 O MET A 69 -8.716 -11.294 7.787 1.00 0.00 O ATOM 1013 CB MET A 69 -11.074 -9.870 9.404 1.00 0.00 C ATOM 1014 CG MET A 69 -9.896 -9.048 9.904 1.00 0.00 C ATOM 1015 SD MET A 69 -10.241 -7.279 9.927 1.00 0.00 S ATOM 1016 CE MET A 69 -9.496 -6.769 8.381 1.00 0.00 C ATOM 0 H MET A 69 -12.935 -10.893 8.114 1.00 0.00 H new ATOM 0 HA MET A 69 -10.528 -9.532 7.351 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.983 -9.273 9.483 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.204 -10.736 10.053 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.631 -9.375 10.909 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.031 -9.237 9.269 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.777 -5.739 8.164 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.411 -6.840 8.459 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.845 -7.417 7.577 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.438 -12.728 7.983 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.594 -13.917 7.942 1.00 0.00 C ATOM 1028 C ASP A 70 -9.172 -14.239 6.511 1.00 0.00 C ATOM 1029 O ASP A 70 -8.068 -14.729 6.276 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.331 -15.112 8.549 1.00 0.00 C ATOM 1031 CG ASP A 70 -10.038 -15.281 10.027 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -9.041 -15.954 10.362 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -10.807 -14.740 10.851 1.00 0.00 O ATOM 0 H ASP A 70 -11.435 -12.921 8.078 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.698 -13.714 8.528 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.404 -14.984 8.406 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.045 -16.020 8.018 1.00 0.00 H new ATOM 1038 N GLN A 71 -10.058 -13.961 5.560 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.776 -14.222 4.154 1.00 0.00 C ATOM 1040 C GLN A 71 -8.552 -13.439 3.688 1.00 0.00 C ATOM 1041 O GLN A 71 -7.647 -13.995 3.065 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.986 -13.857 3.293 1.00 0.00 C ATOM 1043 CG GLN A 71 -12.094 -14.897 3.330 1.00 0.00 C ATOM 1044 CD GLN A 71 -13.137 -14.677 2.252 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -14.279 -14.322 2.541 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -12.747 -14.888 1.000 1.00 0.00 N ATOM 0 H GLN A 71 -10.977 -13.555 5.738 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.567 -15.286 4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.386 -12.900 3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.660 -13.722 2.262 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.659 -15.890 3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.576 -14.874 4.307 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.790 -15.182 0.807 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.405 -14.756 0.232 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.529 -12.146 3.996 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.416 -11.288 3.609 1.00 0.00 C ATOM 1057 C ILE A 72 -6.139 -11.679 4.344 1.00 0.00 C ATOM 1058 O ILE A 72 -6.187 -12.182 5.468 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.723 -9.805 3.891 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.146 -9.618 5.349 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.808 -9.301 2.951 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.619 -8.343 5.972 1.00 0.00 C ATOM 0 H ILE A 72 -9.269 -11.670 4.512 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.272 -11.423 2.537 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.818 -9.222 3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.235 -9.618 5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.796 -10.470 5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.014 -8.252 3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.472 -9.404 1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.716 -9.886 3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.958 -8.276 7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.529 -8.349 5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.990 -7.484 5.412 1.00 0.00 H new ATOM 1074 N ARG A 73 -4.998 -11.445 3.704 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.707 -11.773 4.299 1.00 0.00 C ATOM 1076 C ARG A 73 -2.758 -10.579 4.236 1.00 0.00 C ATOM 1077 O ARG A 73 -2.871 -9.731 3.349 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.083 -12.973 3.584 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.868 -14.264 3.761 1.00 0.00 C ATOM 1080 CD ARG A 73 -3.037 -15.335 4.449 1.00 0.00 C ATOM 1081 NE ARG A 73 -2.412 -16.243 3.490 1.00 0.00 N ATOM 1082 CZ ARG A 73 -1.748 -17.345 3.836 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -1.622 -17.678 5.115 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -1.211 -18.116 2.901 1.00 0.00 N ATOM 0 H ARG A 73 -4.941 -11.030 2.774 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.872 -12.027 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.002 -12.750 2.520 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.069 -13.120 3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.766 -14.067 4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.196 -14.627 2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.265 -14.861 5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.671 -15.905 5.128 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.489 -16.020 2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.035 -17.089 5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.113 -18.523 5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.306 -17.866 1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.703 -18.960 3.166 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.805 -10.496 5.180 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.834 -9.398 5.227 1.00 0.00 C ATOM 1100 C PRO A 74 0.187 -9.481 4.097 1.00 0.00 C ATOM 1101 O PRO A 74 0.817 -10.518 3.891 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.148 -9.589 6.581 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.285 -11.043 6.872 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.600 -11.464 6.274 1.00 0.00 C ATOM 0 HA PRO A 74 -1.312 -8.425 5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.899 -9.290 6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.622 -8.984 7.354 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.540 -11.607 6.437 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.267 -11.229 7.946 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.563 -12.488 5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.407 -11.420 7.006 1.00 0.00 H new ATOM 1112 N ASN A 75 0.344 -8.381 3.367 1.00 0.00 N ATOM 1113 CA ASN A 75 1.289 -8.329 2.258 1.00 0.00 C ATOM 1114 C ASN A 75 2.712 -8.106 2.764 1.00 0.00 C ATOM 1115 O ASN A 75 3.188 -6.973 2.827 1.00 0.00 O ATOM 1116 CB ASN A 75 0.902 -7.216 1.282 1.00 0.00 C ATOM 1117 CG ASN A 75 1.249 -7.560 -0.153 1.00 0.00 C ATOM 1118 OD1 ASN A 75 1.554 -8.710 -0.472 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.202 -6.564 -1.030 1.00 0.00 N ATOM 0 H ASN A 75 -0.171 -7.515 3.524 1.00 0.00 H new ATOM 0 HA ASN A 75 1.254 -9.287 1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.168 -7.025 1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.411 -6.295 1.565 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.423 -6.737 -2.011 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.944 -5.626 -0.723 1.00 0.00 H new ATOM 1126 N THR A 76 3.383 -9.195 3.124 1.00 0.00 N ATOM 1127 CA THR A 76 4.750 -9.120 3.625 1.00 0.00 C ATOM 1128 C THR A 76 5.691 -8.565 2.561 1.00 0.00 C ATOM 1129 O THR A 76 6.603 -7.796 2.865 1.00 0.00 O ATOM 1130 CB THR A 76 5.228 -10.502 4.074 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.129 -11.318 4.437 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.173 -10.453 5.254 1.00 0.00 C ATOM 0 H THR A 76 3.002 -10.140 3.078 1.00 0.00 H new ATOM 0 HA THR A 76 4.759 -8.444 4.480 1.00 0.00 H new ATOM 0 HB THR A 76 5.762 -10.916 3.219 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.454 -12.198 4.720 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.474 -11.466 5.522 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.055 -9.870 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.672 -9.987 6.103 1.00 0.00 H new ATOM 1140 N GLU A 77 5.464 -8.961 1.312 1.00 0.00 N ATOM 1141 CA GLU A 77 6.292 -8.504 0.203 1.00 0.00 C ATOM 1142 C GLU A 77 6.240 -6.983 0.076 1.00 0.00 C ATOM 1143 O GLU A 77 7.211 -6.352 -0.346 1.00 0.00 O ATOM 1144 CB GLU A 77 5.834 -9.156 -1.105 1.00 0.00 C ATOM 1145 CG GLU A 77 6.763 -10.255 -1.593 1.00 0.00 C ATOM 1146 CD GLU A 77 6.623 -10.519 -3.079 1.00 0.00 C ATOM 1147 OE1 GLU A 77 5.544 -10.985 -3.500 1.00 0.00 O ATOM 1148 OE2 GLU A 77 7.594 -10.260 -3.821 1.00 0.00 O ATOM 0 H GLU A 77 4.713 -9.597 1.044 1.00 0.00 H new ATOM 0 HA GLU A 77 7.322 -8.797 0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.836 -9.571 -0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.755 -8.389 -1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.794 -9.979 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.554 -11.173 -1.043 1.00 0.00 H new ATOM 1155 N LEU A 78 5.104 -6.402 0.443 1.00 0.00 N ATOM 1156 CA LEU A 78 4.926 -4.956 0.370 1.00 0.00 C ATOM 1157 C LEU A 78 5.343 -4.290 1.678 1.00 0.00 C ATOM 1158 O LEU A 78 5.941 -3.214 1.675 1.00 0.00 O ATOM 1159 CB LEU A 78 3.470 -4.614 0.052 1.00 0.00 C ATOM 1160 CG LEU A 78 3.216 -3.154 -0.326 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.872 -2.824 -1.658 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.722 -2.872 -0.381 1.00 0.00 C ATOM 0 H LEU A 78 4.292 -6.910 0.794 1.00 0.00 H new ATOM 0 HA LEU A 78 5.563 -4.577 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.134 -5.249 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.857 -4.861 0.919 1.00 0.00 H new ATOM 0 HG LEU A 78 3.659 -2.518 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.680 -1.781 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.947 -2.988 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.460 -3.467 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.558 -1.829 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.257 -3.517 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.279 -3.068 0.595 1.00 0.00 H new ATOM 1174 N LYS A 79 5.021 -4.936 2.793 1.00 0.00 N ATOM 1175 CA LYS A 79 5.359 -4.408 4.110 1.00 0.00 C ATOM 1176 C LYS A 79 6.859 -4.158 4.230 1.00 0.00 C ATOM 1177 O LYS A 79 7.290 -3.225 4.909 1.00 0.00 O ATOM 1178 CB LYS A 79 4.903 -5.377 5.203 1.00 0.00 C ATOM 1179 CG LYS A 79 4.971 -4.790 6.604 1.00 0.00 C ATOM 1180 CD LYS A 79 5.389 -5.834 7.627 1.00 0.00 C ATOM 1181 CE LYS A 79 6.864 -6.183 7.499 1.00 0.00 C ATOM 1182 NZ LYS A 79 7.664 -5.636 8.630 1.00 0.00 N ATOM 0 H LYS A 79 4.526 -5.827 2.811 1.00 0.00 H new ATOM 0 HA LYS A 79 4.840 -3.458 4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.879 -5.687 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.522 -6.274 5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.679 -3.961 6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.998 -4.382 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.188 -5.461 8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.789 -6.734 7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.979 -7.266 7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.250 -5.790 6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.480 -5.110 8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.071 -4.997 9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.001 -6.418 9.227 1.00 0.00 H new ATOM 1196 N GLU A 80 7.649 -4.997 3.568 1.00 0.00 N ATOM 1197 CA GLU A 80 9.101 -4.866 3.600 1.00 0.00 C ATOM 1198 C GLU A 80 9.551 -3.620 2.843 1.00 0.00 C ATOM 1199 O GLU A 80 10.559 -3.003 3.187 1.00 0.00 O ATOM 1200 CB GLU A 80 9.760 -6.109 2.998 1.00 0.00 C ATOM 1201 CG GLU A 80 9.663 -7.339 3.885 1.00 0.00 C ATOM 1202 CD GLU A 80 10.716 -8.379 3.556 1.00 0.00 C ATOM 1203 OE1 GLU A 80 10.567 -9.070 2.526 1.00 0.00 O ATOM 1204 OE2 GLU A 80 11.689 -8.503 4.329 1.00 0.00 O ATOM 0 H GLU A 80 7.308 -5.775 3.003 1.00 0.00 H new ATOM 0 HA GLU A 80 9.409 -4.768 4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.295 -6.327 2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.811 -5.894 2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.767 -7.040 4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.673 -7.783 3.778 1.00 0.00 H new ATOM 1211 N LYS A 81 8.795 -3.255 1.812 1.00 0.00 N ATOM 1212 CA LYS A 81 9.115 -2.083 1.007 1.00 0.00 C ATOM 1213 C LYS A 81 8.809 -0.798 1.770 1.00 0.00 C ATOM 1214 O LYS A 81 9.466 0.225 1.572 1.00 0.00 O ATOM 1215 CB LYS A 81 8.330 -2.110 -0.305 1.00 0.00 C ATOM 1216 CG LYS A 81 8.786 -3.195 -1.265 1.00 0.00 C ATOM 1217 CD LYS A 81 7.941 -3.213 -2.528 1.00 0.00 C ATOM 1218 CE LYS A 81 7.897 -4.599 -3.150 1.00 0.00 C ATOM 1219 NZ LYS A 81 9.250 -5.072 -3.550 1.00 0.00 N ATOM 0 H LYS A 81 7.957 -3.755 1.515 1.00 0.00 H new ATOM 0 HA LYS A 81 10.182 -2.106 0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.273 -2.254 -0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.424 -1.141 -0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.831 -3.034 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.727 -4.166 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.928 -2.886 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.347 -2.503 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.462 -5.302 -2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.245 -4.584 -4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.169 -5.991 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.683 -4.381 -4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.846 -5.176 -2.704 1.00 0.00 H new ATOM 1233 N ILE A 82 7.809 -0.857 2.643 1.00 0.00 N ATOM 1234 CA ILE A 82 7.416 0.302 3.436 1.00 0.00 C ATOM 1235 C ILE A 82 8.436 0.586 4.534 1.00 0.00 C ATOM 1236 O ILE A 82 8.641 1.737 4.921 1.00 0.00 O ATOM 1237 CB ILE A 82 6.029 0.101 4.077 1.00 0.00 C ATOM 1238 CG1 ILE A 82 5.014 -0.347 3.024 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.566 1.384 4.753 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.806 -1.047 3.608 1.00 0.00 C ATOM 0 H ILE A 82 7.256 -1.696 2.819 1.00 0.00 H new ATOM 0 HA ILE A 82 7.372 1.152 2.755 1.00 0.00 H new ATOM 0 HB ILE A 82 6.107 -0.679 4.834 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.681 0.523 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.506 -1.017 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.585 1.226 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.278 1.664 5.529 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.503 2.182 4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.129 -1.336 2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.128 -1.937 4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.290 -0.373 4.292 1.00 0.00 H new ATOM 1252 N GLN A 83 9.071 -0.469 5.033 1.00 0.00 N ATOM 1253 CA GLN A 83 10.071 -0.333 6.086 1.00 0.00 C ATOM 1254 C GLN A 83 11.409 0.119 5.512 1.00 0.00 C ATOM 1255 O GLN A 83 12.074 0.991 6.072 1.00 0.00 O ATOM 1256 CB GLN A 83 10.243 -1.659 6.829 1.00 0.00 C ATOM 1257 CG GLN A 83 8.943 -2.224 7.378 1.00 0.00 C ATOM 1258 CD GLN A 83 8.735 -1.889 8.843 1.00 0.00 C ATOM 1259 OE1 GLN A 83 9.513 -1.144 9.438 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.679 -2.439 9.431 1.00 0.00 N ATOM 0 H GLN A 83 8.911 -1.428 4.725 1.00 0.00 H new ATOM 0 HA GLN A 83 9.723 0.426 6.787 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.690 -2.389 6.154 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.943 -1.516 7.652 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.107 -1.833 6.797 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.940 -3.307 7.252 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.060 -3.051 8.899 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.487 -2.249 10.415 1.00 0.00 H new ATOM 1269 N ARG A 84 11.799 -0.479 4.391 1.00 0.00 N ATOM 1270 CA ARG A 84 13.058 -0.137 3.742 1.00 0.00 C ATOM 1271 C ARG A 84 13.071 1.328 3.316 1.00 0.00 C ATOM 1272 O ARG A 84 14.123 1.968 3.288 1.00 0.00 O ATOM 1273 CB ARG A 84 13.288 -1.038 2.526 1.00 0.00 C ATOM 1274 CG ARG A 84 14.692 -1.619 2.456 1.00 0.00 C ATOM 1275 CD ARG A 84 14.832 -2.611 1.311 1.00 0.00 C ATOM 1276 NE ARG A 84 15.891 -2.226 0.381 1.00 0.00 N ATOM 1277 CZ ARG A 84 16.327 -3.004 -0.608 1.00 0.00 C ATOM 1278 NH1 ARG A 84 15.799 -4.205 -0.800 1.00 0.00 N ATOM 1279 NH2 ARG A 84 17.295 -2.576 -1.408 1.00 0.00 N ATOM 0 H ARG A 84 11.261 -1.202 3.914 1.00 0.00 H new ATOM 0 HA ARG A 84 13.864 -0.293 4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.566 -1.855 2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.095 -0.466 1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.414 -0.812 2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.929 -2.114 3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.045 -3.601 1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.886 -2.681 0.774 1.00 0.00 H new ATOM 0 HE ARG A 84 16.321 -1.308 0.496 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.054 -4.538 -0.188 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.138 -4.796 -1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.704 -1.653 -1.265 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.630 -3.170 -2.166 1.00 0.00 H new ATOM 1293 N TRP A 85 11.896 1.854 2.985 1.00 0.00 N ATOM 1294 CA TRP A 85 11.772 3.244 2.561 1.00 0.00 C ATOM 1295 C TRP A 85 11.701 4.176 3.766 1.00 0.00 C ATOM 1296 O TRP A 85 12.340 5.228 3.788 1.00 0.00 O ATOM 1297 CB TRP A 85 10.528 3.423 1.687 1.00 0.00 C ATOM 1298 CG TRP A 85 10.349 4.825 1.189 1.00 0.00 C ATOM 1299 CD1 TRP A 85 11.120 5.474 0.268 1.00 0.00 C ATOM 1300 CD2 TRP A 85 9.331 5.752 1.586 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.645 6.747 0.068 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.547 6.942 0.865 1.00 0.00 C ATOM 1303 CE3 TRP A 85 8.258 5.692 2.479 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.731 8.061 1.011 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.448 6.804 2.624 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.687 7.973 1.893 1.00 0.00 C ATOM 0 H TRP A 85 11.016 1.338 3.002 1.00 0.00 H new ATOM 0 HA TRP A 85 12.657 3.501 1.978 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.592 2.747 0.834 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.646 3.133 2.258 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.978 5.048 -0.231 1.00 0.00 H new ATOM 0 HE1 TRP A 85 11.044 7.435 -0.570 1.00 0.00 H new ATOM 0 HE3 TRP A 85 8.064 4.793 3.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.915 8.965 0.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.617 6.769 3.313 1.00 0.00 H new ATOM 0 HH2 TRP A 85 7.035 8.823 2.027 1.00 0.00 H new