USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 592 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 50 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 29 HIS : no HD1:sc= -0.14 K(o=0.69,f=-12!) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.833 K(o=0.69,f=-4.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0327 X(o=-0.033,f=-0.034) USER MOD Single : A 35 HIS : no HD1:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -179:sc= 1.26 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= -0.683 (180deg=-1.57!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 157:sc= -2.77 (180deg=-5.15!) USER MOD Single : A 61 MET CE :methyl -156:sc= 0 (180deg=-0.0429) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 160:sc= -1.75 (180deg=-2.47!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -118:sc= -2.11 (180deg=-6.07!) USER MOD Single : A 78 MET CE :methyl 138:sc= -2.31 (180deg=-6.1!) USER MOD Single : A 82 CYS SG : rot 1:sc= 0.306 USER MOD Single : A 84 LYS NZ :NH3+ -167:sc= -0.0054 (180deg=-0.233) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 30:sc= -0.647 USER MOD Single : A 95 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000661) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 355 N GLY A 25 -8.699 9.297 -8.739 1.00 0.00 N ATOM 356 CA GLY A 25 -7.342 8.854 -8.480 1.00 0.00 C ATOM 357 C GLY A 25 -7.292 7.491 -7.818 1.00 0.00 C ATOM 358 O GLY A 25 -7.951 7.262 -6.804 1.00 0.00 O ATOM 0 HA2 GLY A 25 -6.789 8.819 -9.419 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.841 9.582 -7.842 1.00 0.00 H new ATOM 362 N ARG A 26 -6.510 6.583 -8.393 1.00 0.00 N ATOM 363 CA ARG A 26 -6.380 5.235 -7.854 1.00 0.00 C ATOM 364 C ARG A 26 -4.963 4.989 -7.344 1.00 0.00 C ATOM 365 O ARG A 26 -4.040 4.767 -8.127 1.00 0.00 O ATOM 366 CB ARG A 26 -6.737 4.200 -8.922 1.00 0.00 C ATOM 367 CG ARG A 26 -8.126 4.384 -9.509 1.00 0.00 C ATOM 368 CD ARG A 26 -8.116 4.233 -11.022 1.00 0.00 C ATOM 369 NE ARG A 26 -9.135 5.061 -11.662 1.00 0.00 N ATOM 370 CZ ARG A 26 -9.159 5.322 -12.964 1.00 0.00 C ATOM 371 NH1 ARG A 26 -8.224 4.822 -13.761 1.00 0.00 N ATOM 372 NH2 ARG A 26 -10.119 6.084 -13.472 1.00 0.00 N ATOM 0 H ARG A 26 -5.957 6.757 -9.232 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.071 5.136 -7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.003 4.252 -9.726 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.665 3.203 -8.488 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.806 3.652 -9.074 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.507 5.370 -9.243 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.133 4.506 -11.407 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.282 3.188 -11.283 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.869 5.461 -11.077 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.484 4.236 -13.374 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.245 5.024 -14.761 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.840 6.470 -12.862 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.136 6.284 -14.472 1.00 0.00 H new ATOM 386 N VAL A 27 -4.799 5.028 -6.025 1.00 0.00 N ATOM 387 CA VAL A 27 -3.496 4.808 -5.410 1.00 0.00 C ATOM 388 C VAL A 27 -3.607 3.880 -4.206 1.00 0.00 C ATOM 389 O VAL A 27 -4.192 4.239 -3.183 1.00 0.00 O ATOM 390 CB VAL A 27 -2.854 6.135 -4.964 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.548 5.876 -4.230 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.632 7.047 -6.161 1.00 0.00 C ATOM 0 H VAL A 27 -5.553 5.210 -5.362 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.863 4.344 -6.166 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.535 6.636 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.109 6.825 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.741 5.263 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.856 5.354 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.178 7.980 -5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.971 6.556 -6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.588 7.259 -6.639 1.00 0.00 H new ATOM 402 N ILE A 28 -3.040 2.685 -4.333 1.00 0.00 N ATOM 403 CA ILE A 28 -3.074 1.705 -3.255 1.00 0.00 C ATOM 404 C ILE A 28 -2.098 2.077 -2.144 1.00 0.00 C ATOM 405 O ILE A 28 -0.882 2.002 -2.320 1.00 0.00 O ATOM 406 CB ILE A 28 -2.738 0.292 -3.766 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.776 -0.163 -4.793 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.669 -0.690 -2.605 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.127 -0.475 -4.190 1.00 0.00 C ATOM 0 H ILE A 28 -2.551 2.372 -5.172 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.090 1.706 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.762 0.321 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.895 0.615 -5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.403 -1.049 -5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.431 -1.684 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.896 -0.373 -1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.631 -0.717 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.812 -0.791 -4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.022 -1.275 -3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.522 0.416 -3.701 1.00 0.00 H new ATOM 421 N HIS A 29 -2.638 2.477 -0.997 1.00 0.00 N ATOM 422 CA HIS A 29 -1.815 2.859 0.145 1.00 0.00 C ATOM 423 C HIS A 29 -1.380 1.630 0.936 1.00 0.00 C ATOM 424 O HIS A 29 -2.212 0.881 1.449 1.00 0.00 O ATOM 425 CB HIS A 29 -2.580 3.820 1.055 1.00 0.00 C ATOM 426 CG HIS A 29 -1.697 4.775 1.795 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.980 6.119 1.922 1.00 0.00 N ATOM 428 CD2 HIS A 29 -0.531 4.575 2.453 1.00 0.00 C ATOM 429 CE1 HIS A 29 -1.026 6.704 2.624 1.00 0.00 C ATOM 430 NE2 HIS A 29 -0.135 5.789 2.959 1.00 0.00 N ATOM 0 H HIS A 29 -3.643 2.545 -0.834 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.924 3.361 -0.233 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.292 4.387 0.455 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.160 3.242 1.775 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.009 3.636 2.560 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.982 7.752 2.880 1.00 0.00 H new ATOM 0 HE2 HIS A 29 0.710 5.956 3.505 1.00 0.00 H new ATOM 438 N LEU A 30 -0.070 1.426 1.031 1.00 0.00 N ATOM 439 CA LEU A 30 0.477 0.286 1.758 1.00 0.00 C ATOM 440 C LEU A 30 1.308 0.749 2.951 1.00 0.00 C ATOM 441 O LEU A 30 2.392 1.308 2.784 1.00 0.00 O ATOM 442 CB LEU A 30 1.333 -0.575 0.828 1.00 0.00 C ATOM 443 CG LEU A 30 0.581 -1.338 -0.262 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.520 -1.709 -1.399 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.079 -2.582 0.315 1.00 0.00 C ATOM 0 H LEU A 30 0.633 2.036 0.613 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.356 -0.311 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.072 0.067 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.881 -1.295 1.435 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.199 -0.689 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.967 -2.252 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.944 -0.803 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.323 -2.339 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.610 -3.112 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.684 -3.234 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.784 -2.292 1.094 1.00 0.00 H new ATOM 457 N SER A 31 0.793 0.512 4.153 1.00 0.00 N ATOM 458 CA SER A 31 1.488 0.906 5.373 1.00 0.00 C ATOM 459 C SER A 31 1.867 -0.317 6.202 1.00 0.00 C ATOM 460 O SER A 31 1.222 -1.362 6.117 1.00 0.00 O ATOM 461 CB SER A 31 0.611 1.847 6.202 1.00 0.00 C ATOM 462 OG SER A 31 0.245 2.994 5.455 1.00 0.00 O ATOM 0 H SER A 31 -0.103 0.049 4.308 1.00 0.00 H new ATOM 0 HA SER A 31 2.402 1.428 5.089 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.286 1.320 6.528 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.147 2.151 7.101 1.00 0.00 H new ATOM 0 HG SER A 31 -0.316 3.578 6.006 1.00 0.00 H new ATOM 468 N ASN A 32 2.918 -0.178 7.003 1.00 0.00 N ATOM 469 CA ASN A 32 3.383 -1.273 7.848 1.00 0.00 C ATOM 470 C ASN A 32 4.080 -2.345 7.015 1.00 0.00 C ATOM 471 O ASN A 32 3.885 -3.541 7.236 1.00 0.00 O ATOM 472 CB ASN A 32 2.211 -1.887 8.615 1.00 0.00 C ATOM 473 CG ASN A 32 2.664 -2.666 9.836 1.00 0.00 C ATOM 474 OD1 ASN A 32 3.201 -2.096 10.786 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.448 -3.976 9.815 1.00 0.00 N ATOM 0 H ASN A 32 3.463 0.680 7.085 1.00 0.00 H new ATOM 0 HA ASN A 32 4.102 -0.869 8.561 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.528 -1.096 8.925 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.653 -2.548 7.952 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.731 -4.552 10.608 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.999 -4.406 9.006 1.00 0.00 H new ATOM 482 N LEU A 33 4.891 -1.908 6.059 1.00 0.00 N ATOM 483 CA LEU A 33 5.617 -2.830 5.192 1.00 0.00 C ATOM 484 C LEU A 33 6.828 -3.414 5.911 1.00 0.00 C ATOM 485 O LEU A 33 7.449 -2.770 6.758 1.00 0.00 O ATOM 486 CB LEU A 33 6.063 -2.116 3.915 1.00 0.00 C ATOM 487 CG LEU A 33 4.953 -1.750 2.928 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.362 -0.551 2.086 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.616 -2.938 2.040 1.00 0.00 C ATOM 0 H LEU A 33 5.063 -0.922 5.864 1.00 0.00 H new ATOM 0 HA LEU A 33 4.945 -3.647 4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.587 -1.203 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.784 -2.751 3.401 1.00 0.00 H new ATOM 0 HG LEU A 33 4.062 -1.482 3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.560 -0.305 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.552 0.303 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.267 -0.790 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.825 -2.659 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.502 -3.237 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.279 -3.770 2.658 1.00 0.00 H new ATOM 501 N PRO A 34 7.177 -4.663 5.566 1.00 0.00 N ATOM 502 CA PRO A 34 8.319 -5.360 6.166 1.00 0.00 C ATOM 503 C PRO A 34 9.654 -4.763 5.734 1.00 0.00 C ATOM 504 O PRO A 34 9.696 -3.727 5.068 1.00 0.00 O ATOM 505 CB PRO A 34 8.178 -6.790 5.640 1.00 0.00 C ATOM 506 CG PRO A 34 7.417 -6.652 4.366 1.00 0.00 C ATOM 507 CD PRO A 34 6.484 -5.490 4.565 1.00 0.00 C ATOM 0 HA PRO A 34 8.314 -5.289 7.254 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.153 -7.248 5.471 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.648 -7.423 6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.090 -6.473 3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.863 -7.563 4.142 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.320 -4.943 3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.506 -5.816 4.920 1.00 0.00 H new ATOM 515 N HIS A 35 10.743 -5.423 6.115 1.00 0.00 N ATOM 516 CA HIS A 35 12.081 -4.957 5.765 1.00 0.00 C ATOM 517 C HIS A 35 13.073 -6.116 5.754 1.00 0.00 C ATOM 518 O HIS A 35 14.085 -6.085 6.455 1.00 0.00 O ATOM 519 CB HIS A 35 12.543 -3.883 6.750 1.00 0.00 C ATOM 520 CG HIS A 35 13.651 -3.024 6.223 1.00 0.00 C ATOM 521 ND1 HIS A 35 13.430 -1.848 5.539 1.00 0.00 N ATOM 522 CD2 HIS A 35 14.994 -3.176 6.286 1.00 0.00 C ATOM 523 CE1 HIS A 35 14.590 -1.314 5.201 1.00 0.00 C ATOM 524 NE2 HIS A 35 15.556 -2.100 5.643 1.00 0.00 N ATOM 0 H HIS A 35 10.726 -6.281 6.666 1.00 0.00 H new ATOM 0 HA HIS A 35 12.040 -4.527 4.764 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.695 -3.249 7.008 1.00 0.00 H new ATOM 0 HB3 HIS A 35 12.874 -4.364 7.671 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.525 -3.991 6.755 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.726 -0.392 4.656 1.00 0.00 H new ATOM 0 HE2 HIS A 35 16.556 -1.935 5.526 1.00 0.00 H new ATOM 532 N SER A 36 12.776 -7.136 4.956 1.00 0.00 N ATOM 533 CA SER A 36 13.641 -8.307 4.857 1.00 0.00 C ATOM 534 C SER A 36 14.562 -8.201 3.646 1.00 0.00 C ATOM 535 O SER A 36 14.983 -9.211 3.083 1.00 0.00 O ATOM 536 CB SER A 36 12.800 -9.580 4.763 1.00 0.00 C ATOM 537 OG SER A 36 12.779 -10.270 6.002 1.00 0.00 O ATOM 0 H SER A 36 11.943 -7.176 4.368 1.00 0.00 H new ATOM 0 HA SER A 36 14.256 -8.352 5.756 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.782 -9.326 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.205 -10.231 3.988 1.00 0.00 H new ATOM 0 HG SER A 36 12.233 -11.080 5.916 1.00 0.00 H new ATOM 543 N GLY A 37 14.870 -6.970 3.250 1.00 0.00 N ATOM 544 CA GLY A 37 15.740 -6.754 2.108 1.00 0.00 C ATOM 545 C GLY A 37 15.137 -7.268 0.815 1.00 0.00 C ATOM 546 O GLY A 37 15.830 -7.871 -0.004 1.00 0.00 O ATOM 0 H GLY A 37 14.533 -6.119 3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.948 -5.689 2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.694 -7.251 2.283 1.00 0.00 H new ATOM 550 N TYR A 38 13.842 -7.031 0.632 1.00 0.00 N ATOM 551 CA TYR A 38 13.146 -7.479 -0.568 1.00 0.00 C ATOM 552 C TYR A 38 13.218 -6.421 -1.666 1.00 0.00 C ATOM 553 O TYR A 38 13.780 -5.344 -1.470 1.00 0.00 O ATOM 554 CB TYR A 38 11.685 -7.797 -0.245 1.00 0.00 C ATOM 555 CG TYR A 38 10.975 -6.690 0.502 1.00 0.00 C ATOM 556 CD1 TYR A 38 10.383 -5.633 -0.178 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.896 -6.702 1.890 1.00 0.00 C ATOM 558 CE1 TYR A 38 9.735 -4.621 0.501 1.00 0.00 C ATOM 559 CE2 TYR A 38 10.248 -5.694 2.577 1.00 0.00 C ATOM 560 CZ TYR A 38 9.669 -4.655 1.879 1.00 0.00 C ATOM 561 OH TYR A 38 9.023 -3.649 2.559 1.00 0.00 O ATOM 0 H TYR A 38 13.254 -6.532 1.299 1.00 0.00 H new ATOM 0 HA TYR A 38 13.637 -8.383 -0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.151 -7.997 -1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.643 -8.710 0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.431 -5.603 -1.257 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.349 -7.513 2.440 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.282 -3.806 -0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.195 -5.719 3.655 1.00 0.00 H new ATOM 0 HH TYR A 38 9.081 -3.816 3.523 1.00 0.00 H new ATOM 571 N SER A 39 12.645 -6.740 -2.822 1.00 0.00 N ATOM 572 CA SER A 39 12.646 -5.820 -3.954 1.00 0.00 C ATOM 573 C SER A 39 11.263 -5.211 -4.161 1.00 0.00 C ATOM 574 O SER A 39 10.268 -5.707 -3.631 1.00 0.00 O ATOM 575 CB SER A 39 13.094 -6.543 -5.226 1.00 0.00 C ATOM 576 OG SER A 39 14.273 -5.963 -5.754 1.00 0.00 O ATOM 0 H SER A 39 12.175 -7.627 -3.000 1.00 0.00 H new ATOM 0 HA SER A 39 13.348 -5.016 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.270 -7.596 -5.007 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.299 -6.501 -5.971 1.00 0.00 H new ATOM 0 HG SER A 39 14.539 -6.444 -6.565 1.00 0.00 H new ATOM 582 N ASP A 40 11.208 -4.133 -4.935 1.00 0.00 N ATOM 583 CA ASP A 40 9.946 -3.456 -5.215 1.00 0.00 C ATOM 584 C ASP A 40 8.916 -4.435 -5.771 1.00 0.00 C ATOM 585 O ASP A 40 7.775 -4.476 -5.313 1.00 0.00 O ATOM 586 CB ASP A 40 10.167 -2.310 -6.203 1.00 0.00 C ATOM 587 CG ASP A 40 10.373 -2.802 -7.623 1.00 0.00 C ATOM 588 OD1 ASP A 40 9.367 -2.988 -8.339 1.00 0.00 O ATOM 589 OD2 ASP A 40 11.541 -3.001 -8.018 1.00 0.00 O ATOM 0 H ASP A 40 12.022 -3.709 -5.380 1.00 0.00 H new ATOM 0 HA ASP A 40 9.564 -3.049 -4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.308 -1.639 -6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.036 -1.729 -5.893 1.00 0.00 H new ATOM 594 N SER A 41 9.327 -5.219 -6.762 1.00 0.00 N ATOM 595 CA SER A 41 8.439 -6.193 -7.385 1.00 0.00 C ATOM 596 C SER A 41 7.660 -6.972 -6.328 1.00 0.00 C ATOM 597 O SER A 41 6.470 -7.235 -6.487 1.00 0.00 O ATOM 598 CB SER A 41 9.239 -7.160 -8.259 1.00 0.00 C ATOM 599 OG SER A 41 8.930 -6.981 -9.631 1.00 0.00 O ATOM 0 H SER A 41 10.270 -5.199 -7.151 1.00 0.00 H new ATOM 0 HA SER A 41 7.729 -5.652 -8.011 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.306 -7.002 -8.099 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.021 -8.187 -7.965 1.00 0.00 H new ATOM 0 HG SER A 41 9.455 -7.609 -10.169 1.00 0.00 H new ATOM 605 N ALA A 42 8.345 -7.337 -5.248 1.00 0.00 N ATOM 606 CA ALA A 42 7.719 -8.083 -4.164 1.00 0.00 C ATOM 607 C ALA A 42 6.534 -7.319 -3.583 1.00 0.00 C ATOM 608 O ALA A 42 5.541 -7.916 -3.167 1.00 0.00 O ATOM 609 CB ALA A 42 8.737 -8.387 -3.075 1.00 0.00 C ATOM 0 H ALA A 42 9.333 -7.128 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 42 7.347 -9.023 -4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.255 -8.945 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.550 -8.981 -3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.136 -7.453 -2.679 1.00 0.00 H new ATOM 615 N VAL A 43 6.645 -5.994 -3.559 1.00 0.00 N ATOM 616 CA VAL A 43 5.582 -5.148 -3.030 1.00 0.00 C ATOM 617 C VAL A 43 4.450 -4.992 -4.039 1.00 0.00 C ATOM 618 O VAL A 43 3.310 -4.708 -3.670 1.00 0.00 O ATOM 619 CB VAL A 43 6.113 -3.753 -2.650 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.962 -2.773 -2.473 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.956 -3.830 -1.386 1.00 0.00 C ATOM 0 H VAL A 43 7.460 -5.484 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 43 5.201 -5.640 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 43 6.746 -3.391 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.357 -1.793 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.403 -2.696 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.301 -3.127 -1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.323 -2.835 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.348 -4.213 -0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.802 -4.497 -1.553 1.00 0.00 H new ATOM 631 N LEU A 44 4.772 -5.180 -5.314 1.00 0.00 N ATOM 632 CA LEU A 44 3.782 -5.061 -6.378 1.00 0.00 C ATOM 633 C LEU A 44 3.137 -6.410 -6.676 1.00 0.00 C ATOM 634 O LEU A 44 2.145 -6.491 -7.400 1.00 0.00 O ATOM 635 CB LEU A 44 4.431 -4.501 -7.646 1.00 0.00 C ATOM 636 CG LEU A 44 5.477 -3.407 -7.437 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.221 -3.125 -8.733 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.824 -2.138 -6.908 1.00 0.00 C ATOM 0 H LEU A 44 5.711 -5.415 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 44 3.005 -4.375 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.899 -5.325 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.644 -4.106 -8.289 1.00 0.00 H new ATOM 0 HG LEU A 44 6.197 -3.757 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.962 -2.343 -8.565 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.722 -4.033 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.514 -2.797 -9.495 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.584 -1.370 -6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.082 -1.785 -7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.338 -2.349 -5.955 1.00 0.00 H new ATOM 650 N LYS A 45 3.707 -7.469 -6.112 1.00 0.00 N ATOM 651 CA LYS A 45 3.188 -8.816 -6.313 1.00 0.00 C ATOM 652 C LYS A 45 1.776 -8.945 -5.751 1.00 0.00 C ATOM 653 O LYS A 45 1.022 -9.841 -6.134 1.00 0.00 O ATOM 654 CB LYS A 45 4.108 -9.844 -5.650 1.00 0.00 C ATOM 655 CG LYS A 45 4.791 -10.775 -6.638 1.00 0.00 C ATOM 656 CD LYS A 45 4.883 -12.191 -6.096 1.00 0.00 C ATOM 657 CE LYS A 45 3.856 -13.105 -6.749 1.00 0.00 C ATOM 658 NZ LYS A 45 4.368 -14.496 -6.900 1.00 0.00 N ATOM 0 H LYS A 45 4.530 -7.420 -5.511 1.00 0.00 H new ATOM 0 HA LYS A 45 3.152 -9.008 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.869 -9.319 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.527 -10.439 -4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.238 -10.779 -7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.792 -10.403 -6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.885 -12.584 -6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.728 -12.180 -5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.946 -13.116 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.587 -12.709 -7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.639 -15.087 -7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.222 -14.489 -7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.600 -14.884 -5.963 1.00 0.00 H new ATOM 672 N LEU A 46 1.422 -8.044 -4.840 1.00 0.00 N ATOM 673 CA LEU A 46 0.099 -8.056 -4.225 1.00 0.00 C ATOM 674 C LEU A 46 -0.894 -7.248 -5.056 1.00 0.00 C ATOM 675 O LEU A 46 -2.079 -7.182 -4.732 1.00 0.00 O ATOM 676 CB LEU A 46 0.170 -7.494 -2.805 1.00 0.00 C ATOM 677 CG LEU A 46 1.318 -6.523 -2.524 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.962 -5.593 -1.375 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.598 -7.286 -2.217 1.00 0.00 C ATOM 0 H LEU A 46 2.033 -7.296 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.246 -9.089 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.770 -6.986 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.248 -8.329 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 46 1.483 -5.918 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.791 -4.910 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.071 -5.021 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.769 -6.181 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.404 -6.580 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.445 -7.916 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.863 -7.910 -3.070 1.00 0.00 H new ATOM 691 N ALA A 47 -0.401 -6.637 -6.128 1.00 0.00 N ATOM 692 CA ALA A 47 -1.246 -5.837 -7.007 1.00 0.00 C ATOM 693 C ALA A 47 -1.145 -6.317 -8.451 1.00 0.00 C ATOM 694 O ALA A 47 -1.920 -5.897 -9.309 1.00 0.00 O ATOM 695 CB ALA A 47 -0.867 -4.367 -6.910 1.00 0.00 C ATOM 0 H ALA A 47 0.579 -6.680 -6.409 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.280 -5.956 -6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.506 -3.782 -7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.997 -4.025 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.174 -4.239 -7.205 1.00 0.00 H new ATOM 701 N GLU A 48 -0.185 -7.199 -8.711 1.00 0.00 N ATOM 702 CA GLU A 48 0.016 -7.734 -10.052 1.00 0.00 C ATOM 703 C GLU A 48 -1.262 -8.379 -10.579 1.00 0.00 C ATOM 704 O GLU A 48 -1.822 -7.966 -11.595 1.00 0.00 O ATOM 705 CB GLU A 48 1.154 -8.758 -10.051 1.00 0.00 C ATOM 706 CG GLU A 48 2.431 -8.250 -10.699 1.00 0.00 C ATOM 707 CD GLU A 48 2.826 -9.056 -11.920 1.00 0.00 C ATOM 708 OE1 GLU A 48 2.025 -9.118 -12.876 1.00 0.00 O ATOM 709 OE2 GLU A 48 3.938 -9.625 -11.921 1.00 0.00 O ATOM 0 H GLU A 48 0.465 -7.558 -8.011 1.00 0.00 H new ATOM 0 HA GLU A 48 0.281 -6.906 -10.709 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.369 -9.048 -9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.824 -9.656 -10.573 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.299 -7.206 -10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.241 -8.281 -9.970 1.00 0.00 H new ATOM 716 N PRO A 49 -1.736 -9.416 -9.873 1.00 0.00 N ATOM 717 CA PRO A 49 -2.953 -10.141 -10.250 1.00 0.00 C ATOM 718 C PRO A 49 -4.211 -9.304 -10.048 1.00 0.00 C ATOM 719 O PRO A 49 -5.325 -9.772 -10.285 1.00 0.00 O ATOM 720 CB PRO A 49 -2.956 -11.346 -9.305 1.00 0.00 C ATOM 721 CG PRO A 49 -2.167 -10.901 -8.122 1.00 0.00 C ATOM 722 CD PRO A 49 -1.119 -9.962 -8.652 1.00 0.00 C ATOM 0 HA PRO A 49 -2.956 -10.410 -11.306 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.971 -11.625 -9.022 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.505 -12.220 -9.776 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.805 -10.402 -7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.709 -11.751 -7.616 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.884 -9.176 -7.934 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.187 -10.483 -8.871 1.00 0.00 H new ATOM 730 N TYR A 50 -4.027 -8.063 -9.611 1.00 0.00 N ATOM 731 CA TYR A 50 -5.148 -7.160 -9.377 1.00 0.00 C ATOM 732 C TYR A 50 -5.348 -6.219 -10.561 1.00 0.00 C ATOM 733 O TYR A 50 -6.476 -5.881 -10.917 1.00 0.00 O ATOM 734 CB TYR A 50 -4.919 -6.350 -8.100 1.00 0.00 C ATOM 735 CG TYR A 50 -5.118 -7.148 -6.832 1.00 0.00 C ATOM 736 CD1 TYR A 50 -4.070 -7.866 -6.268 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.354 -7.187 -6.198 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.248 -8.597 -5.110 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.539 -7.915 -5.039 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.483 -8.619 -4.499 1.00 0.00 C ATOM 741 OH TYR A 50 -5.665 -9.346 -3.345 1.00 0.00 O ATOM 0 H TYR A 50 -3.112 -7.659 -9.412 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.049 -7.763 -9.261 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.906 -5.949 -8.111 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.599 -5.498 -8.093 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.100 -7.852 -6.743 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.184 -6.639 -6.619 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.423 -9.149 -4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.506 -7.933 -4.558 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.824 -9.379 -2.843 1.00 0.00 H new ATOM 751 N GLY A 51 -4.241 -5.799 -11.168 1.00 0.00 N ATOM 752 CA GLY A 51 -4.315 -4.902 -12.306 1.00 0.00 C ATOM 753 C GLY A 51 -2.945 -4.481 -12.802 1.00 0.00 C ATOM 754 O GLY A 51 -1.934 -4.739 -12.149 1.00 0.00 O ATOM 0 H GLY A 51 -3.296 -6.064 -10.892 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.857 -5.391 -13.116 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.886 -4.016 -12.030 1.00 0.00 H new ATOM 758 N LYS A 52 -2.911 -3.833 -13.961 1.00 0.00 N ATOM 759 CA LYS A 52 -1.656 -3.375 -14.546 1.00 0.00 C ATOM 760 C LYS A 52 -1.044 -2.253 -13.712 1.00 0.00 C ATOM 761 O LYS A 52 -1.643 -1.189 -13.554 1.00 0.00 O ATOM 762 CB LYS A 52 -1.884 -2.893 -15.980 1.00 0.00 C ATOM 763 CG LYS A 52 -1.435 -3.892 -17.035 1.00 0.00 C ATOM 764 CD LYS A 52 -0.069 -3.534 -17.596 1.00 0.00 C ATOM 765 CE LYS A 52 -0.123 -3.330 -19.103 1.00 0.00 C ATOM 766 NZ LYS A 52 1.176 -2.839 -19.642 1.00 0.00 N ATOM 0 H LYS A 52 -3.739 -3.613 -14.515 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.962 -4.215 -14.558 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.944 -2.681 -16.119 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.349 -1.955 -16.129 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.400 -4.891 -16.600 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.165 -3.921 -17.844 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.296 -2.625 -17.117 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.642 -4.326 -17.360 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.385 -4.270 -19.588 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.910 -2.616 -19.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.099 -2.712 -20.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.414 -1.929 -19.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.923 -3.532 -19.433 1.00 0.00 H new ATOM 780 N ILE A 53 0.149 -2.498 -13.183 1.00 0.00 N ATOM 781 CA ILE A 53 0.841 -1.507 -12.369 1.00 0.00 C ATOM 782 C ILE A 53 1.337 -0.344 -13.221 1.00 0.00 C ATOM 783 O ILE A 53 2.431 -0.394 -13.785 1.00 0.00 O ATOM 784 CB ILE A 53 2.037 -2.128 -11.622 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.555 -3.203 -10.646 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.820 -1.050 -10.888 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.430 -4.437 -10.625 1.00 0.00 C ATOM 0 H ILE A 53 0.657 -3.374 -13.303 1.00 0.00 H new ATOM 0 HA ILE A 53 0.119 -1.138 -11.640 1.00 0.00 H new ATOM 0 HB ILE A 53 2.698 -2.597 -12.351 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.514 -2.779 -9.643 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.538 -3.493 -10.911 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.662 -1.504 -10.365 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.191 -0.318 -11.605 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.169 -0.555 -10.167 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.028 -5.156 -9.911 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.451 -4.885 -11.618 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.442 -4.160 -10.330 1.00 0.00 H new ATOM 799 N LYS A 54 0.525 0.704 -13.312 1.00 0.00 N ATOM 800 CA LYS A 54 0.880 1.883 -14.093 1.00 0.00 C ATOM 801 C LYS A 54 1.963 2.694 -13.390 1.00 0.00 C ATOM 802 O LYS A 54 2.822 3.293 -14.038 1.00 0.00 O ATOM 803 CB LYS A 54 -0.355 2.756 -14.327 1.00 0.00 C ATOM 804 CG LYS A 54 -0.795 2.810 -15.780 1.00 0.00 C ATOM 805 CD LYS A 54 -1.468 1.517 -16.208 1.00 0.00 C ATOM 806 CE LYS A 54 -0.791 0.914 -17.429 1.00 0.00 C ATOM 807 NZ LYS A 54 -1.781 0.393 -18.412 1.00 0.00 N ATOM 0 H LYS A 54 -0.385 0.761 -12.854 1.00 0.00 H new ATOM 0 HA LYS A 54 1.268 1.548 -15.055 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.178 2.377 -13.721 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.145 3.768 -13.982 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.483 3.643 -15.922 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.070 2.999 -16.416 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.441 0.802 -15.386 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.518 1.708 -16.430 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.167 1.668 -17.908 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.130 0.106 -17.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.336 0.322 -19.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.106 -0.548 -18.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.593 1.040 -18.463 1.00 0.00 H new ATOM 821 N ASN A 55 1.919 2.708 -12.062 1.00 0.00 N ATOM 822 CA ASN A 55 2.898 3.446 -11.272 1.00 0.00 C ATOM 823 C ASN A 55 2.980 2.892 -9.853 1.00 0.00 C ATOM 824 O ASN A 55 2.008 2.344 -9.332 1.00 0.00 O ATOM 825 CB ASN A 55 2.536 4.932 -11.231 1.00 0.00 C ATOM 826 CG ASN A 55 3.663 5.815 -11.733 1.00 0.00 C ATOM 827 OD1 ASN A 55 3.836 5.996 -12.938 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.436 6.370 -10.807 1.00 0.00 N ATOM 0 H ASN A 55 1.216 2.217 -11.510 1.00 0.00 H new ATOM 0 HA ASN A 55 3.873 3.330 -11.746 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.646 5.103 -11.837 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.285 5.214 -10.209 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.210 6.974 -11.084 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.256 6.192 -9.819 1.00 0.00 H new ATOM 835 N TYR A 56 4.144 3.041 -9.232 1.00 0.00 N ATOM 836 CA TYR A 56 4.354 2.555 -7.873 1.00 0.00 C ATOM 837 C TYR A 56 5.332 3.450 -7.119 1.00 0.00 C ATOM 838 O TYR A 56 6.070 4.229 -7.724 1.00 0.00 O ATOM 839 CB TYR A 56 4.876 1.117 -7.898 1.00 0.00 C ATOM 840 CG TYR A 56 6.360 1.017 -8.169 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.860 1.125 -9.460 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.263 0.815 -7.131 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.216 1.032 -9.712 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.620 0.723 -7.373 1.00 0.00 C ATOM 845 CZ TYR A 56 9.091 0.832 -8.665 1.00 0.00 C ATOM 846 OH TYR A 56 10.442 0.741 -8.911 1.00 0.00 O ATOM 0 H TYR A 56 4.957 3.495 -9.648 1.00 0.00 H new ATOM 0 HA TYR A 56 3.396 2.578 -7.354 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.657 0.643 -6.941 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.337 0.557 -8.662 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.177 1.284 -10.282 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.897 0.729 -6.118 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.588 1.115 -10.723 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.308 0.567 -6.555 1.00 0.00 H new ATOM 0 HH TYR A 56 10.920 0.601 -8.067 1.00 0.00 H new ATOM 856 N ILE A 57 5.333 3.332 -5.796 1.00 0.00 N ATOM 857 CA ILE A 57 6.221 4.129 -4.958 1.00 0.00 C ATOM 858 C ILE A 57 6.692 3.335 -3.745 1.00 0.00 C ATOM 859 O ILE A 57 5.886 2.914 -2.914 1.00 0.00 O ATOM 860 CB ILE A 57 5.533 5.420 -4.477 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.419 6.422 -5.628 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.302 6.027 -3.313 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.700 7.179 -5.900 1.00 0.00 C ATOM 0 H ILE A 57 4.729 2.692 -5.281 1.00 0.00 H new ATOM 0 HA ILE A 57 7.082 4.393 -5.573 1.00 0.00 H new ATOM 0 HB ILE A 57 4.528 5.173 -4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.121 5.892 -6.532 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.626 7.135 -5.401 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.804 6.939 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.337 5.315 -2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.317 6.263 -3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.545 7.871 -6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.989 7.738 -5.010 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.491 6.475 -6.159 1.00 0.00 H new ATOM 875 N LEU A 58 8.002 3.133 -3.648 1.00 0.00 N ATOM 876 CA LEU A 58 8.581 2.391 -2.535 1.00 0.00 C ATOM 877 C LEU A 58 9.325 3.325 -1.586 1.00 0.00 C ATOM 878 O LEU A 58 10.494 3.645 -1.804 1.00 0.00 O ATOM 879 CB LEU A 58 9.532 1.311 -3.056 1.00 0.00 C ATOM 880 CG LEU A 58 9.192 -0.128 -2.665 1.00 0.00 C ATOM 881 CD1 LEU A 58 9.193 -0.285 -1.153 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.845 -0.534 -3.245 1.00 0.00 C ATOM 0 H LEU A 58 8.683 3.473 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 58 7.768 1.916 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.560 1.374 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.537 1.536 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 58 9.956 -0.787 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.949 -1.315 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.180 -0.036 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.451 0.384 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.619 -1.561 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.069 0.129 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.880 -0.462 -4.332 1.00 0.00 H new ATOM 894 N MET A 59 8.642 3.756 -0.531 1.00 0.00 N ATOM 895 CA MET A 59 9.240 4.650 0.453 1.00 0.00 C ATOM 896 C MET A 59 9.810 3.862 1.628 1.00 0.00 C ATOM 897 O MET A 59 9.072 3.216 2.370 1.00 0.00 O ATOM 898 CB MET A 59 8.204 5.657 0.955 1.00 0.00 C ATOM 899 CG MET A 59 7.749 6.643 -0.111 1.00 0.00 C ATOM 900 SD MET A 59 6.821 8.028 0.576 1.00 0.00 S ATOM 901 CE MET A 59 5.585 8.272 -0.697 1.00 0.00 C ATOM 0 H MET A 59 7.674 3.501 -0.336 1.00 0.00 H new ATOM 0 HA MET A 59 10.055 5.188 -0.031 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.336 5.116 1.332 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.624 6.210 1.795 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.620 7.023 -0.645 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.130 6.122 -0.842 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.719 8.780 -0.271 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.004 8.880 -1.499 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.278 7.305 -1.097 1.00 0.00 H new ATOM 911 N ARG A 60 11.128 3.922 1.790 1.00 0.00 N ATOM 912 CA ARG A 60 11.797 3.212 2.874 1.00 0.00 C ATOM 913 C ARG A 60 11.872 4.080 4.127 1.00 0.00 C ATOM 914 O ARG A 60 12.102 3.579 5.227 1.00 0.00 O ATOM 915 CB ARG A 60 13.204 2.793 2.446 1.00 0.00 C ATOM 916 CG ARG A 60 13.464 1.302 2.584 1.00 0.00 C ATOM 917 CD ARG A 60 14.806 0.911 1.984 1.00 0.00 C ATOM 918 NE ARG A 60 14.722 -0.325 1.210 1.00 0.00 N ATOM 919 CZ ARG A 60 14.078 -0.424 0.052 1.00 0.00 C ATOM 920 NH1 ARG A 60 13.468 0.633 -0.465 1.00 0.00 N ATOM 921 NH2 ARG A 60 14.047 -1.584 -0.593 1.00 0.00 N ATOM 0 H ARG A 60 11.753 4.454 1.185 1.00 0.00 H new ATOM 0 HA ARG A 60 11.214 2.320 3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.361 3.086 1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.934 3.337 3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.441 1.024 3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.668 0.746 2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.164 1.716 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.538 0.789 2.782 1.00 0.00 H new ATOM 0 HE ARG A 60 15.183 -1.157 1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.492 1.527 0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.975 0.553 -1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.517 -2.399 -0.200 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.553 -1.660 -1.482 1.00 0.00 H new ATOM 935 N MET A 61 11.677 5.382 3.950 1.00 0.00 N ATOM 936 CA MET A 61 11.722 6.319 5.067 1.00 0.00 C ATOM 937 C MET A 61 10.792 5.873 6.189 1.00 0.00 C ATOM 938 O MET A 61 11.232 5.625 7.313 1.00 0.00 O ATOM 939 CB MET A 61 11.336 7.724 4.598 1.00 0.00 C ATOM 940 CG MET A 61 12.374 8.783 4.933 1.00 0.00 C ATOM 941 SD MET A 61 11.878 9.831 6.313 1.00 0.00 S ATOM 942 CE MET A 61 12.568 8.922 7.694 1.00 0.00 C ATOM 0 H MET A 61 11.486 5.812 3.045 1.00 0.00 H new ATOM 0 HA MET A 61 12.742 6.339 5.451 1.00 0.00 H new ATOM 0 HB2 MET A 61 11.180 7.708 3.519 1.00 0.00 H new ATOM 0 HB3 MET A 61 10.385 8.002 5.053 1.00 0.00 H new ATOM 0 HG2 MET A 61 13.319 8.296 5.173 1.00 0.00 H new ATOM 0 HG3 MET A 61 12.550 9.404 4.055 1.00 0.00 H new ATOM 0 HE1 MET A 61 12.019 9.169 8.603 1.00 0.00 H new ATOM 0 HE2 MET A 61 12.488 7.852 7.502 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.617 9.191 7.819 1.00 0.00 H new ATOM 952 N LYS A 62 9.503 5.771 5.880 1.00 0.00 N ATOM 953 CA LYS A 62 8.511 5.352 6.863 1.00 0.00 C ATOM 954 C LYS A 62 7.893 4.014 6.474 1.00 0.00 C ATOM 955 O LYS A 62 6.689 3.807 6.626 1.00 0.00 O ATOM 956 CB LYS A 62 7.415 6.413 6.995 1.00 0.00 C ATOM 957 CG LYS A 62 7.738 7.499 8.006 1.00 0.00 C ATOM 958 CD LYS A 62 7.556 7.006 9.431 1.00 0.00 C ATOM 959 CE LYS A 62 7.601 8.153 10.428 1.00 0.00 C ATOM 960 NZ LYS A 62 8.071 7.705 11.768 1.00 0.00 N ATOM 0 H LYS A 62 9.121 5.973 4.956 1.00 0.00 H new ATOM 0 HA LYS A 62 9.013 5.235 7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.247 6.873 6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.483 5.927 7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.765 7.835 7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.094 8.361 7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.603 6.485 9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.337 6.284 9.670 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.263 8.934 10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.608 8.593 10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.088 8.516 12.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.426 6.978 12.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.029 7.308 11.685 1.00 0.00 H new ATOM 974 N SER A 63 8.724 3.106 5.975 1.00 0.00 N ATOM 975 CA SER A 63 8.258 1.786 5.562 1.00 0.00 C ATOM 976 C SER A 63 6.904 1.882 4.865 1.00 0.00 C ATOM 977 O SER A 63 6.019 1.057 5.092 1.00 0.00 O ATOM 978 CB SER A 63 8.157 0.857 6.773 1.00 0.00 C ATOM 979 OG SER A 63 9.438 0.406 7.178 1.00 0.00 O ATOM 0 H SER A 63 9.724 3.259 5.846 1.00 0.00 H new ATOM 0 HA SER A 63 8.981 1.375 4.857 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.675 1.381 7.598 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.528 0.002 6.528 1.00 0.00 H new ATOM 0 HG SER A 63 9.346 -0.185 7.955 1.00 0.00 H new ATOM 985 N GLN A 64 6.753 2.894 4.017 1.00 0.00 N ATOM 986 CA GLN A 64 5.507 3.097 3.287 1.00 0.00 C ATOM 987 C GLN A 64 5.712 2.884 1.790 1.00 0.00 C ATOM 988 O GLN A 64 6.841 2.904 1.299 1.00 0.00 O ATOM 989 CB GLN A 64 4.966 4.505 3.544 1.00 0.00 C ATOM 990 CG GLN A 64 4.161 4.622 4.828 1.00 0.00 C ATOM 991 CD GLN A 64 3.110 5.711 4.761 1.00 0.00 C ATOM 992 OE1 GLN A 64 2.256 5.713 3.873 1.00 0.00 O ATOM 993 NE2 GLN A 64 3.165 6.647 5.701 1.00 0.00 N ATOM 0 H GLN A 64 7.476 3.585 3.819 1.00 0.00 H new ATOM 0 HA GLN A 64 4.782 2.365 3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.801 5.205 3.583 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.339 4.804 2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.677 3.668 5.037 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.837 4.825 5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.889 6.607 6.418 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.483 7.406 5.706 1.00 0.00 H new ATOM 1002 N ALA A 65 4.613 2.680 1.071 1.00 0.00 N ATOM 1003 CA ALA A 65 4.672 2.465 -0.369 1.00 0.00 C ATOM 1004 C ALA A 65 3.285 2.555 -0.995 1.00 0.00 C ATOM 1005 O ALA A 65 2.288 2.181 -0.376 1.00 0.00 O ATOM 1006 CB ALA A 65 5.305 1.115 -0.676 1.00 0.00 C ATOM 0 H ALA A 65 3.671 2.659 1.463 1.00 0.00 H new ATOM 0 HA ALA A 65 5.290 3.251 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.343 0.968 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.316 1.087 -0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.710 0.322 -0.222 1.00 0.00 H new ATOM 1012 N PHE A 66 3.227 3.055 -2.225 1.00 0.00 N ATOM 1013 CA PHE A 66 1.960 3.195 -2.935 1.00 0.00 C ATOM 1014 C PHE A 66 2.003 2.466 -4.274 1.00 0.00 C ATOM 1015 O PHE A 66 3.077 2.194 -4.811 1.00 0.00 O ATOM 1016 CB PHE A 66 1.638 4.675 -3.156 1.00 0.00 C ATOM 1017 CG PHE A 66 1.681 5.494 -1.898 1.00 0.00 C ATOM 1018 CD1 PHE A 66 2.891 5.813 -1.304 1.00 0.00 C ATOM 1019 CD2 PHE A 66 0.510 5.943 -1.308 1.00 0.00 C ATOM 1020 CE1 PHE A 66 2.934 6.565 -0.146 1.00 0.00 C ATOM 1021 CE2 PHE A 66 0.546 6.697 -0.150 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.760 7.008 0.432 1.00 0.00 C ATOM 0 H PHE A 66 4.042 3.370 -2.751 1.00 0.00 H new ATOM 0 HA PHE A 66 1.177 2.747 -2.324 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.346 5.089 -3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.647 4.760 -3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.812 5.470 -1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.441 5.701 -1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.884 6.806 0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.373 7.043 0.299 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.791 7.596 1.337 1.00 0.00 H new ATOM 1032 N ILE A 67 0.827 2.152 -4.807 1.00 0.00 N ATOM 1033 CA ILE A 67 0.729 1.455 -6.083 1.00 0.00 C ATOM 1034 C ILE A 67 -0.511 1.891 -6.855 1.00 0.00 C ATOM 1035 O ILE A 67 -1.637 1.574 -6.471 1.00 0.00 O ATOM 1036 CB ILE A 67 0.688 -0.073 -5.889 1.00 0.00 C ATOM 1037 CG1 ILE A 67 1.968 -0.556 -5.202 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.501 -0.772 -7.227 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.923 -2.013 -4.799 1.00 0.00 C ATOM 0 H ILE A 67 -0.071 2.369 -4.375 1.00 0.00 H new ATOM 0 HA ILE A 67 1.620 1.717 -6.654 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.160 -0.321 -5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.813 -0.399 -5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.147 0.053 -4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.474 -1.851 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.436 -0.446 -7.680 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.330 -0.520 -7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.862 -2.287 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.099 -2.173 -4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.775 -2.631 -5.685 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.297 2.620 -7.946 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.399 3.100 -8.773 1.00 0.00 C ATOM 1053 C GLU A 68 -1.844 2.026 -9.762 1.00 0.00 C ATOM 1054 O GLU A 68 -1.169 1.767 -10.758 1.00 0.00 O ATOM 1055 CB GLU A 68 -0.986 4.364 -9.528 1.00 0.00 C ATOM 1056 CG GLU A 68 -2.084 4.931 -10.412 1.00 0.00 C ATOM 1057 CD GLU A 68 -2.136 6.446 -10.381 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -2.540 7.005 -9.340 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -1.770 7.072 -11.398 1.00 0.00 O ATOM 0 H GLU A 68 0.629 2.891 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.237 3.335 -8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.682 5.124 -8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.114 4.141 -10.143 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.927 4.598 -11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.046 4.532 -10.091 1.00 0.00 H new ATOM 1066 N MET A 69 -2.984 1.405 -9.479 1.00 0.00 N ATOM 1067 CA MET A 69 -3.521 0.360 -10.343 1.00 0.00 C ATOM 1068 C MET A 69 -3.945 0.935 -11.691 1.00 0.00 C ATOM 1069 O MET A 69 -4.150 2.140 -11.824 1.00 0.00 O ATOM 1070 CB MET A 69 -4.710 -0.327 -9.671 1.00 0.00 C ATOM 1071 CG MET A 69 -4.374 -0.941 -8.321 1.00 0.00 C ATOM 1072 SD MET A 69 -2.806 -1.830 -8.333 1.00 0.00 S ATOM 1073 CE MET A 69 -3.198 -3.192 -9.429 1.00 0.00 C ATOM 0 H MET A 69 -3.554 1.607 -8.658 1.00 0.00 H new ATOM 0 HA MET A 69 -2.735 -0.376 -10.513 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.513 0.399 -9.541 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.089 -1.107 -10.331 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.335 -0.154 -7.568 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.172 -1.623 -8.028 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.276 -3.622 -9.820 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.749 -3.955 -8.879 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.808 -2.829 -10.256 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.075 0.063 -12.686 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.475 0.485 -14.023 1.00 0.00 C ATOM 1085 C GLU A 70 -5.909 1.005 -14.024 1.00 0.00 C ATOM 1086 O GLU A 70 -6.216 2.019 -14.653 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.341 -0.675 -15.010 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.613 -0.283 -16.453 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.201 -1.420 -17.267 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -5.996 -2.201 -16.707 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -4.864 -1.527 -18.464 1.00 0.00 O ATOM 0 H GLU A 70 -3.909 -0.939 -12.591 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.814 1.294 -14.333 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.335 -1.087 -14.938 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.031 -1.468 -14.722 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.298 0.564 -16.472 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.684 0.048 -16.917 1.00 0.00 H new ATOM 1098 N THR A 71 -6.787 0.303 -13.312 1.00 0.00 N ATOM 1099 CA THR A 71 -8.190 0.691 -13.232 1.00 0.00 C ATOM 1100 C THR A 71 -8.672 0.712 -11.785 1.00 0.00 C ATOM 1101 O THR A 71 -8.042 0.127 -10.903 1.00 0.00 O ATOM 1102 CB THR A 71 -9.084 -0.262 -14.046 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.369 -1.439 -13.280 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.411 -0.652 -15.353 1.00 0.00 C ATOM 0 H THR A 71 -6.551 -0.537 -12.783 1.00 0.00 H new ATOM 0 HA THR A 71 -8.266 1.694 -13.652 1.00 0.00 H new ATOM 0 HB THR A 71 -10.015 0.256 -14.276 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.939 -2.040 -13.804 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.062 -1.326 -15.911 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.222 0.243 -15.946 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.467 -1.153 -15.141 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.791 1.387 -11.549 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.357 1.484 -10.209 1.00 0.00 C ATOM 1114 C ARG A 72 -10.820 0.117 -9.715 1.00 0.00 C ATOM 1115 O ARG A 72 -10.608 -0.239 -8.556 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.530 2.465 -10.197 1.00 0.00 C ATOM 1117 CG ARG A 72 -11.930 2.921 -8.803 1.00 0.00 C ATOM 1118 CD ARG A 72 -12.428 4.357 -8.808 1.00 0.00 C ATOM 1119 NE ARG A 72 -13.835 4.450 -8.424 1.00 0.00 N ATOM 1120 CZ ARG A 72 -14.840 4.155 -9.240 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -14.596 3.752 -10.479 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -16.093 4.264 -8.817 1.00 0.00 N ATOM 0 H ARG A 72 -10.324 1.875 -12.268 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.579 1.850 -9.539 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.268 3.338 -10.794 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.389 1.996 -10.677 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.710 2.266 -8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.076 2.833 -8.131 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.825 4.952 -8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.295 4.784 -9.802 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.057 4.758 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.634 3.668 -10.808 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.370 3.526 -11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.285 4.575 -7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.865 4.037 -9.444 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.453 -0.646 -10.602 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.946 -1.973 -10.254 1.00 0.00 C ATOM 1138 C GLU A 73 -10.877 -2.774 -9.517 1.00 0.00 C ATOM 1139 O GLU A 73 -11.172 -3.490 -8.559 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.384 -2.724 -11.513 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.796 -2.387 -11.961 1.00 0.00 C ATOM 1142 CD GLU A 73 -14.692 -3.608 -12.036 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -14.312 -4.581 -12.722 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -15.772 -3.592 -11.409 1.00 0.00 O ATOM 0 H GLU A 73 -11.636 -0.367 -11.566 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.805 -1.853 -9.594 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.691 -2.495 -12.322 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.316 -3.796 -11.329 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.230 -1.665 -11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.758 -1.908 -12.940 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.634 -2.649 -9.970 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.520 -3.361 -9.354 1.00 0.00 C ATOM 1153 C ASP A 74 -8.201 -2.784 -7.979 1.00 0.00 C ATOM 1154 O ASP A 74 -8.466 -3.412 -6.954 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.284 -3.289 -10.250 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.581 -3.696 -11.681 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.466 -4.553 -11.882 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.929 -3.155 -12.598 1.00 0.00 O ATOM 0 H ASP A 74 -9.373 -2.061 -10.762 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.810 -4.405 -9.232 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.889 -2.273 -10.239 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.507 -3.937 -9.845 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.629 -1.585 -7.964 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.273 -0.923 -6.714 1.00 0.00 C ATOM 1165 C ALA A 75 -8.313 -1.197 -5.633 1.00 0.00 C ATOM 1166 O ALA A 75 -7.969 -1.485 -4.487 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.122 0.576 -6.935 1.00 0.00 C ATOM 0 H ALA A 75 -7.402 -1.052 -8.803 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.319 -1.328 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.856 1.058 -5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.338 0.758 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.064 0.987 -7.299 1.00 0.00 H new ATOM 1173 N MET A 76 -9.586 -1.106 -6.005 1.00 0.00 N ATOM 1174 CA MET A 76 -10.675 -1.346 -5.066 1.00 0.00 C ATOM 1175 C MET A 76 -10.704 -2.806 -4.627 1.00 0.00 C ATOM 1176 O MET A 76 -10.917 -3.108 -3.454 1.00 0.00 O ATOM 1177 CB MET A 76 -12.016 -0.965 -5.698 1.00 0.00 C ATOM 1178 CG MET A 76 -12.110 0.502 -6.086 1.00 0.00 C ATOM 1179 SD MET A 76 -13.043 1.477 -4.891 1.00 0.00 S ATOM 1180 CE MET A 76 -11.959 2.887 -4.684 1.00 0.00 C ATOM 0 H MET A 76 -9.888 -0.868 -6.950 1.00 0.00 H new ATOM 0 HA MET A 76 -10.506 -0.724 -4.187 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.178 -1.578 -6.585 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.818 -1.199 -4.998 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.105 0.914 -6.180 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.582 0.586 -7.065 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.625 2.940 -3.648 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.095 2.781 -5.339 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.497 3.800 -4.939 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.487 -3.709 -5.578 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.486 -5.138 -5.289 1.00 0.00 C ATOM 1192 C ALA A 77 -9.400 -5.493 -4.279 1.00 0.00 C ATOM 1193 O ALA A 77 -9.570 -6.398 -3.462 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.299 -5.936 -6.571 1.00 0.00 C ATOM 0 H ALA A 77 -10.310 -3.476 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.451 -5.396 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.300 -7.001 -6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.113 -5.713 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.349 -5.666 -7.032 1.00 0.00 H new ATOM 1200 N MET A 78 -8.283 -4.775 -4.342 1.00 0.00 N ATOM 1201 CA MET A 78 -7.169 -5.015 -3.432 1.00 0.00 C ATOM 1202 C MET A 78 -7.532 -4.605 -2.007 1.00 0.00 C ATOM 1203 O MET A 78 -7.554 -5.436 -1.099 1.00 0.00 O ATOM 1204 CB MET A 78 -5.930 -4.246 -3.894 1.00 0.00 C ATOM 1205 CG MET A 78 -4.631 -5.013 -3.698 1.00 0.00 C ATOM 1206 SD MET A 78 -3.209 -4.162 -4.409 1.00 0.00 S ATOM 1207 CE MET A 78 -1.918 -4.651 -3.268 1.00 0.00 C ATOM 0 H MET A 78 -8.126 -4.023 -5.013 1.00 0.00 H new ATOM 0 HA MET A 78 -6.950 -6.083 -3.440 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.040 -3.997 -4.949 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.872 -3.304 -3.348 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.462 -5.167 -2.632 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.724 -6.000 -4.152 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.013 -4.894 -3.825 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.711 -3.832 -2.580 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.243 -5.525 -2.704 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.817 -3.321 -1.820 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.180 -2.803 -0.507 1.00 0.00 C ATOM 1219 C VAL A 79 -9.294 -3.632 0.123 1.00 0.00 C ATOM 1220 O VAL A 79 -9.348 -3.793 1.343 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.634 -1.333 -0.590 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.626 -0.506 -1.373 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -10.017 -1.237 -1.215 1.00 0.00 C ATOM 0 H VAL A 79 -7.804 -2.620 -2.561 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.288 -2.866 0.116 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.690 -0.930 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.964 0.529 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.656 -0.549 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.534 -0.905 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.322 -0.192 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.992 -1.657 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.730 -1.794 -0.607 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.180 -4.157 -0.716 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.292 -4.971 -0.242 1.00 0.00 C ATOM 1235 C ASP A 80 -10.805 -6.341 0.221 1.00 0.00 C ATOM 1236 O ASP A 80 -11.194 -6.823 1.285 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.339 -5.135 -1.346 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.737 -4.784 -0.875 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -14.073 -3.581 -0.860 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.493 -5.712 -0.522 1.00 0.00 O ATOM 0 H ASP A 80 -10.149 -4.033 -1.728 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.747 -4.461 0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.074 -4.500 -2.192 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.327 -6.164 -1.704 1.00 0.00 H new ATOM 1245 N HIS A 81 -9.950 -6.963 -0.586 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.410 -8.277 -0.259 1.00 0.00 C ATOM 1247 C HIS A 81 -8.773 -8.274 1.127 1.00 0.00 C ATOM 1248 O HIS A 81 -8.713 -9.306 1.796 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.381 -8.703 -1.306 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.284 -10.187 -1.483 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -9.108 -10.899 -2.327 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -7.451 -11.093 -0.918 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -8.788 -12.181 -2.274 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -7.786 -12.324 -1.426 1.00 0.00 N ATOM 0 H HIS A 81 -9.617 -6.578 -1.470 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.234 -8.991 -0.258 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.638 -8.248 -2.262 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.403 -8.315 -1.021 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -6.669 -10.886 -0.202 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.265 -12.975 -2.829 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -7.334 -13.206 -1.187 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.298 -7.108 1.551 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.663 -6.970 2.857 1.00 0.00 C ATOM 1264 C CYS A 82 -8.709 -6.866 3.962 1.00 0.00 C ATOM 1265 O CYS A 82 -8.452 -7.228 5.111 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.756 -5.738 2.879 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.406 -5.109 4.537 1.00 0.00 S ATOM 0 H CYS A 82 -8.341 -6.245 1.010 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.059 -7.860 3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.814 -5.985 2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.222 -4.946 2.293 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.995 -5.860 5.419 1.00 0.00 H new ATOM 1273 N LEU A 83 -9.888 -6.368 3.607 1.00 0.00 N ATOM 1274 CA LEU A 83 -10.974 -6.213 4.569 1.00 0.00 C ATOM 1275 C LEU A 83 -11.538 -7.571 4.977 1.00 0.00 C ATOM 1276 O LEU A 83 -11.675 -7.867 6.164 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.085 -5.344 3.978 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.748 -3.866 3.779 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.591 -3.271 2.662 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.953 -3.093 5.073 1.00 0.00 C ATOM 0 H LEU A 83 -10.117 -6.065 2.660 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.573 -5.725 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.373 -5.763 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.957 -5.413 4.628 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.699 -3.788 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.337 -2.219 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.394 -3.806 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.647 -3.361 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.708 -2.043 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.993 -3.179 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.305 -3.502 5.848 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.861 -8.393 3.985 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.406 -9.722 4.239 1.00 0.00 C ATOM 1294 C LYS A 84 -11.331 -10.655 4.790 1.00 0.00 C ATOM 1295 O LYS A 84 -11.550 -11.357 5.776 1.00 0.00 O ATOM 1296 CB LYS A 84 -12.995 -10.308 2.954 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.247 -9.591 2.478 1.00 0.00 C ATOM 1298 CD LYS A 84 -14.028 -8.921 1.132 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.247 -9.893 -0.017 1.00 0.00 C ATOM 1300 NZ LYS A 84 -12.986 -10.579 -0.412 1.00 0.00 N ATOM 0 H LYS A 84 -11.755 -8.163 2.997 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.196 -9.627 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.242 -10.268 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.229 -11.360 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.068 -10.303 2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.541 -8.843 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.709 -8.076 1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.015 -8.521 1.084 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.989 -10.637 0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.652 -9.356 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.123 -11.059 -1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.223 -9.878 -0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.730 -11.280 0.313 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.169 -10.656 4.145 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.059 -11.500 4.571 1.00 0.00 C ATOM 1316 C LYS A 85 -7.813 -10.662 4.848 1.00 0.00 C ATOM 1317 O LYS A 85 -7.639 -9.585 4.278 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.751 -12.551 3.503 1.00 0.00 C ATOM 1319 CG LYS A 85 -9.948 -13.413 3.136 1.00 0.00 C ATOM 1320 CD LYS A 85 -10.075 -13.577 1.631 1.00 0.00 C ATOM 1321 CE LYS A 85 -11.183 -14.556 1.270 1.00 0.00 C ATOM 1322 NZ LYS A 85 -10.877 -15.300 0.016 1.00 0.00 N ATOM 0 H LYS A 85 -9.972 -10.082 3.325 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.351 -12.002 5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.386 -12.050 2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.946 -13.194 3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.849 -14.393 3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.858 -12.962 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.280 -12.609 1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.129 -13.929 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.323 -15.263 2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.122 -14.015 1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.655 -15.957 -0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.768 -14.627 -0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.994 -15.837 0.137 1.00 0.00 H new ATOM 1336 N ALA A 86 -6.950 -11.166 5.724 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.720 -10.465 6.072 1.00 0.00 C ATOM 1338 C ALA A 86 -4.679 -10.600 4.966 1.00 0.00 C ATOM 1339 O ALA A 86 -4.210 -11.700 4.672 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.167 -10.994 7.387 1.00 0.00 C ATOM 0 H ALA A 86 -7.080 -12.056 6.205 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.954 -9.407 6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.248 -10.462 7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.901 -10.840 8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.955 -12.059 7.290 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.323 -9.475 4.357 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.338 -9.467 3.281 1.00 0.00 C ATOM 1348 C LEU A 87 -1.921 -9.557 3.839 1.00 0.00 C ATOM 1349 O LEU A 87 -1.425 -8.613 4.456 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.486 -8.200 2.437 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.962 -8.284 1.002 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.727 -7.333 0.097 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.470 -7.978 0.961 1.00 0.00 C ATOM 0 H LEU A 87 -4.701 -8.557 4.589 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.517 -10.339 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.542 -7.932 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.968 -7.387 2.945 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.116 -9.300 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.340 -7.407 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.785 -7.597 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.606 -6.311 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.114 -8.042 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.294 -6.973 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.933 -8.700 1.577 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.275 -10.695 3.619 1.00 0.00 N ATOM 1366 CA TRP A 88 0.087 -10.907 4.099 1.00 0.00 C ATOM 1367 C TRP A 88 1.082 -10.877 2.944 1.00 0.00 C ATOM 1368 O TRP A 88 1.033 -11.719 2.048 1.00 0.00 O ATOM 1369 CB TRP A 88 0.187 -12.241 4.839 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.610 -12.277 6.108 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.918 -12.649 6.245 1.00 0.00 C ATOM 1372 CD2 TRP A 88 -0.151 -11.928 7.418 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -2.298 -12.550 7.562 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -1.233 -12.111 8.302 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.069 -11.479 7.931 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -1.129 -11.859 9.667 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.171 -11.230 9.286 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.077 -11.421 10.142 1.00 0.00 C ATOM 0 H TRP A 88 -1.671 -11.486 3.111 1.00 0.00 H new ATOM 0 HA TRP A 88 0.333 -10.098 4.787 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.155 -13.040 4.181 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.233 -12.443 5.069 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.558 -12.973 5.438 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -3.224 -12.768 7.929 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.917 -11.329 7.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.971 -12.004 10.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.109 -10.882 9.693 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.189 -11.218 11.197 1.00 0.00 H new ATOM 1433 N ARG A 92 3.910 -10.141 7.281 1.00 0.00 N ATOM 1434 CA ARG A 92 3.354 -8.946 7.905 1.00 0.00 C ATOM 1435 C ARG A 92 1.986 -8.613 7.317 1.00 0.00 C ATOM 1436 O ARG A 92 1.782 -8.698 6.105 1.00 0.00 O ATOM 1437 CB ARG A 92 4.303 -7.760 7.721 1.00 0.00 C ATOM 1438 CG ARG A 92 5.599 -7.890 8.504 1.00 0.00 C ATOM 1439 CD ARG A 92 5.931 -6.605 9.247 1.00 0.00 C ATOM 1440 NE ARG A 92 7.362 -6.481 9.512 1.00 0.00 N ATOM 1441 CZ ARG A 92 8.024 -7.270 10.352 1.00 0.00 C ATOM 1442 NH1 ARG A 92 7.388 -8.234 11.004 1.00 0.00 N ATOM 1443 NH2 ARG A 92 9.326 -7.095 10.541 1.00 0.00 N ATOM 0 HA ARG A 92 3.234 -9.144 8.970 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.537 -7.654 6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 92 3.793 -6.847 8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.515 -8.712 9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.413 -8.139 7.824 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.595 -5.750 8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.384 -6.579 10.190 1.00 0.00 H new ATOM 0 HE ARG A 92 7.881 -5.750 9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.387 -8.372 10.862 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.899 -8.838 11.648 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.819 -6.355 10.042 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.834 -7.701 11.186 1.00 0.00 H new ATOM 1457 N CYS A 93 1.052 -8.234 8.183 1.00 0.00 N ATOM 1458 CA CYS A 93 -0.297 -7.889 7.749 1.00 0.00 C ATOM 1459 C CYS A 93 -0.345 -6.467 7.200 1.00 0.00 C ATOM 1460 O CYS A 93 -1.156 -5.648 7.636 1.00 0.00 O ATOM 1461 CB CYS A 93 -1.281 -8.034 8.911 1.00 0.00 C ATOM 1462 SG CYS A 93 -3.010 -8.171 8.402 1.00 0.00 S ATOM 0 H CYS A 93 1.204 -8.158 9.189 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.583 -8.576 6.952 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.013 -8.917 9.491 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -1.175 -7.174 9.572 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.075 -8.737 7.234 1.00 0.00 H new ATOM 1468 N VAL A 94 0.531 -6.177 6.244 1.00 0.00 N ATOM 1469 CA VAL A 94 0.588 -4.853 5.635 1.00 0.00 C ATOM 1470 C VAL A 94 -0.810 -4.298 5.392 1.00 0.00 C ATOM 1471 O VAL A 94 -1.682 -4.989 4.864 1.00 0.00 O ATOM 1472 CB VAL A 94 1.357 -4.882 4.300 1.00 0.00 C ATOM 1473 CG1 VAL A 94 0.782 -5.944 3.376 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.324 -3.513 3.638 1.00 0.00 C ATOM 0 H VAL A 94 1.211 -6.841 5.874 1.00 0.00 H new ATOM 0 HA VAL A 94 1.115 -4.205 6.336 1.00 0.00 H new ATOM 0 HB VAL A 94 2.397 -5.137 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.338 -5.950 2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.862 -6.922 3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.266 -5.723 3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.872 -3.551 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.290 -3.227 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.787 -2.779 4.297 1.00 0.00 H new ATOM 1484 N LYS A 95 -1.019 -3.045 5.780 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.312 -2.394 5.602 1.00 0.00 C ATOM 1486 C LYS A 95 -2.448 -1.830 4.192 1.00 0.00 C ATOM 1487 O LYS A 95 -1.692 -0.945 3.790 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.487 -1.273 6.630 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.786 -1.365 7.414 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.827 -2.613 8.280 1.00 0.00 C ATOM 1491 CE LYS A 95 -5.159 -3.336 8.151 1.00 0.00 C ATOM 1492 NZ LYS A 95 -6.288 -2.518 8.674 1.00 0.00 N ATOM 0 H LYS A 95 -0.309 -2.459 6.220 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.091 -3.142 5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.649 -1.296 7.327 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.449 -0.312 6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.896 -0.481 8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.629 -1.372 6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.018 -3.284 7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.659 -2.340 9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.341 -3.578 7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.113 -4.280 8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.175 -3.053 8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.119 -2.294 9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.359 -1.635 8.129 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.419 -2.346 3.444 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.656 -1.892 2.079 1.00 0.00 C ATOM 1508 C VAL A 96 -4.982 -1.148 1.970 1.00 0.00 C ATOM 1509 O VAL A 96 -6.049 -1.761 1.940 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.658 -3.071 1.088 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.771 -4.050 1.425 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -3.797 -2.564 -0.341 1.00 0.00 C ATOM 0 H VAL A 96 -4.054 -3.079 3.761 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.841 -1.215 1.824 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.707 -3.597 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.757 -4.876 0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.623 -4.436 2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.733 -3.540 1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.797 -3.410 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.733 -2.014 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.961 -1.905 -0.576 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.908 0.177 1.911 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.102 1.006 1.804 1.00 0.00 C ATOM 1524 C ASP A 97 -5.953 2.033 0.685 1.00 0.00 C ATOM 1525 O ASP A 97 -4.880 2.608 0.495 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.378 1.715 3.131 1.00 0.00 C ATOM 1527 CG ASP A 97 -5.143 2.395 3.691 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -4.869 3.547 3.295 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -4.453 1.775 4.527 1.00 0.00 O ATOM 0 H ASP A 97 -4.033 0.700 1.936 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.945 0.357 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.164 2.456 2.987 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.751 0.991 3.856 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.034 2.258 -0.052 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.025 3.215 -1.153 1.00 0.00 C ATOM 1536 C LEU A 98 -6.822 4.636 -0.638 1.00 0.00 C ATOM 1537 O LEU A 98 -7.621 5.140 0.152 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.332 3.128 -1.943 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.192 2.911 -3.450 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.779 1.568 -3.853 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -8.865 4.041 -4.216 1.00 0.00 C ATOM 0 H LEU A 98 -7.929 1.791 0.093 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.193 2.965 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.928 2.313 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.894 4.047 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.131 2.910 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.670 1.431 -4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.252 0.769 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.836 1.539 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.756 3.870 -5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.924 4.074 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.398 4.989 -3.950 1.00 0.00 H new ATOM 1553 N SER A 99 -5.750 5.278 -1.091 1.00 0.00 N ATOM 1554 CA SER A 99 -5.442 6.641 -0.674 1.00 0.00 C ATOM 1555 C SER A 99 -6.559 7.598 -1.078 1.00 0.00 C ATOM 1556 O SER A 99 -6.997 7.606 -2.228 1.00 0.00 O ATOM 1557 CB SER A 99 -4.116 7.098 -1.288 1.00 0.00 C ATOM 1558 OG SER A 99 -3.820 8.435 -0.925 1.00 0.00 O ATOM 0 H SER A 99 -5.080 4.876 -1.747 1.00 0.00 H new ATOM 0 HA SER A 99 -5.354 6.651 0.412 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.312 6.441 -0.956 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.167 7.015 -2.374 1.00 0.00 H new ATOM 0 HG SER A 99 -2.968 8.702 -1.328 1.00 0.00 H new