USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1009 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 111 GLN :FLIP amide:sc= -0.0622 F(o=-1.1,f=-0.06) USER MOD Set 1.2: A 115 TYR OH : rot 140:sc= 0.00179 USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= 1.17 (180deg=0.684) USER MOD Single : A 25 GLN : amide:sc= 0.258 X(o=0.26,f=-0.052) USER MOD Single : A 27 TYR OH : rot 150:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0303) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= -0.0169 (180deg=-0.139) USER MOD Single : A 44 SER OG : rot 86:sc= 1.11 USER MOD Single : A 46 MET CE :methyl -174:sc= -3.45! (180deg=-3.75!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc=-0.00255 (180deg=-0.0432) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 59 MET CE :methyl -111:sc= -0.101 (180deg=-0.249) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl -169:sc= -0.0258 (180deg=-0.203) USER MOD Single : A 70 TYR OH : rot 68:sc= 0.00074 USER MOD Single : A 74 THR OG1 : rot -77:sc= 1.18 USER MOD Single : A 76 LYS NZ :NH3+ -123:sc= 1.33 (180deg=-0.272) USER MOD Single : A 84 ASN : amide:sc= -1.04 X(o=-1,f=-1.2) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 136:sc= -0.0626 (180deg=-0.346) USER MOD Single : A 92 THR OG1 : rot -74:sc= 0.351 USER MOD Single : A 93 LYS NZ :NH3+ 167:sc=-0.000493 (180deg=-0.191) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.261 F(o=-1.2,f=-0.26) USER MOD Single : A 99 THR OG1 : rot -53:sc= 2.63 USER MOD Single : A 100 SER OG : rot -21:sc= 0.787 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 76:sc= 0.00745 USER MOD Single : A 110 THR OG1 : rot 75:sc= 2.17 USER MOD Single : A 112 TYR OH : rot 121:sc= 0.00614 USER MOD Single : A 113 MET CE :methyl -170:sc= -3.97! (180deg=-4.32!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 15:sc= -0.278 USER MOD Single : A 119 TYR OH : rot 6:sc= 0.802 USER MOD Single : A 121 CYS SG : rot -24:sc= 0.00167 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 83:sc= 0.917 USER MOD Single : A 128 ASN :FLIP amide:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 130 ASN : amide:sc= -0.534 K(o=-0.53,f=-5.2!) USER MOD Single : A 133 GLN : amide:sc= 0.505 K(o=0.51,f=-0.025) USER MOD Single : A 138 SER OG : rot 72:sc= 0.834 USER MOD Single : A 139 ASN : amide:sc= 0.359 K(o=0.36,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 350 N PHE A 23 -4.725 -18.682 0.751 1.00 12.44 N ATOM 351 CA PHE A 23 -3.485 -18.460 1.512 1.00 31.21 C ATOM 352 C PHE A 23 -3.775 -17.708 2.827 1.00 54.34 C ATOM 353 O PHE A 23 -3.796 -16.474 2.875 1.00 33.31 O ATOM 354 CB PHE A 23 -2.471 -17.694 0.649 1.00 14.52 C ATOM 355 CG PHE A 23 -1.040 -17.822 1.117 1.00 52.11 C ATOM 356 CD1 PHE A 23 -0.303 -18.963 0.824 1.00 54.04 C ATOM 357 CD2 PHE A 23 -0.427 -16.804 1.838 1.00 4.24 C ATOM 358 CE1 PHE A 23 1.009 -19.086 1.239 1.00 51.45 C ATOM 359 CE2 PHE A 23 0.885 -16.924 2.255 1.00 64.51 C ATOM 360 CZ PHE A 23 1.604 -18.065 1.956 1.00 41.03 C ATOM 0 HA PHE A 23 -3.056 -19.427 1.774 1.00 31.21 H new ATOM 0 HB2 PHE A 23 -2.539 -18.053 -0.378 1.00 14.52 H new ATOM 0 HB3 PHE A 23 -2.745 -16.639 0.636 1.00 14.52 H new ATOM 0 HD1 PHE A 23 -0.762 -19.765 0.264 1.00 54.04 H new ATOM 0 HD2 PHE A 23 -0.983 -15.909 2.075 1.00 4.24 H new ATOM 0 HE1 PHE A 23 1.569 -19.979 1.003 1.00 51.45 H new ATOM 0 HE2 PHE A 23 1.349 -16.125 2.815 1.00 64.51 H new ATOM 0 HZ PHE A 23 2.629 -18.159 2.282 1.00 41.03 H new ATOM 370 N LYS A 24 -4.010 -18.475 3.887 1.00 63.52 N ATOM 371 CA LYS A 24 -4.518 -17.951 5.159 1.00 11.52 C ATOM 372 C LYS A 24 -3.471 -17.130 5.935 1.00 51.43 C ATOM 373 O LYS A 24 -3.821 -16.345 6.821 1.00 31.21 O ATOM 374 CB LYS A 24 -5.006 -19.125 6.022 1.00 41.34 C ATOM 375 CG LYS A 24 -5.790 -18.708 7.261 1.00 10.22 C ATOM 376 CD LYS A 24 -7.107 -18.025 6.899 1.00 74.13 C ATOM 377 CE LYS A 24 -7.894 -17.634 8.143 1.00 4.21 C ATOM 378 NZ LYS A 24 -8.185 -18.804 9.016 1.00 54.23 N ATOM 0 H LYS A 24 -3.854 -19.483 3.892 1.00 63.52 H new ATOM 0 HA LYS A 24 -5.338 -17.270 4.930 1.00 11.52 H new ATOM 0 HB2 LYS A 24 -5.633 -19.774 5.411 1.00 41.34 H new ATOM 0 HB3 LYS A 24 -4.144 -19.715 6.333 1.00 41.34 H new ATOM 0 HG2 LYS A 24 -5.993 -19.586 7.874 1.00 10.22 H new ATOM 0 HG3 LYS A 24 -5.184 -18.031 7.863 1.00 10.22 H new ATOM 0 HD2 LYS A 24 -6.905 -17.136 6.301 1.00 74.13 H new ATOM 0 HD3 LYS A 24 -7.708 -18.694 6.283 1.00 74.13 H new ATOM 0 HE2 LYS A 24 -7.331 -16.892 8.709 1.00 4.21 H new ATOM 0 HE3 LYS A 24 -8.831 -17.163 7.845 1.00 4.21 H new ATOM 0 HZ1 LYS A 24 -9.052 -18.623 9.562 1.00 54.23 H new ATOM 0 HZ2 LYS A 24 -8.317 -19.652 8.428 1.00 54.23 H new ATOM 0 HZ3 LYS A 24 -7.390 -18.956 9.669 1.00 54.23 H new ATOM 392 N GLN A 25 -2.194 -17.302 5.595 1.00 42.43 N ATOM 393 CA GLN A 25 -1.099 -16.655 6.333 1.00 52.31 C ATOM 394 C GLN A 25 -1.323 -15.142 6.521 1.00 5.42 C ATOM 395 O GLN A 25 -1.036 -14.604 7.588 1.00 62.32 O ATOM 396 CB GLN A 25 0.240 -16.898 5.623 1.00 55.52 C ATOM 397 CG GLN A 25 1.447 -16.270 6.321 1.00 1.12 C ATOM 398 CD GLN A 25 1.670 -16.806 7.728 1.00 12.01 C ATOM 399 OE1 GLN A 25 2.381 -17.786 7.929 1.00 4.51 O ATOM 400 NE2 GLN A 25 1.069 -16.166 8.712 1.00 31.02 N ATOM 0 H GLN A 25 -1.888 -17.883 4.814 1.00 42.43 H new ATOM 0 HA GLN A 25 -1.078 -17.107 7.325 1.00 52.31 H new ATOM 0 HB2 GLN A 25 0.403 -17.972 5.538 1.00 55.52 H new ATOM 0 HB3 GLN A 25 0.176 -16.504 4.609 1.00 55.52 H new ATOM 0 HG2 GLN A 25 2.340 -16.453 5.723 1.00 1.12 H new ATOM 0 HG3 GLN A 25 1.310 -15.190 6.368 1.00 1.12 H new ATOM 0 HE21 GLN A 25 0.485 -15.355 8.511 1.00 31.02 H new ATOM 0 HE22 GLN A 25 1.189 -16.482 9.674 1.00 31.02 H new ATOM 409 N LEU A 26 -1.852 -14.467 5.498 1.00 31.00 N ATOM 410 CA LEU A 26 -2.109 -13.019 5.576 1.00 71.32 C ATOM 411 C LEU A 26 -2.956 -12.654 6.807 1.00 33.24 C ATOM 412 O LEU A 26 -2.660 -11.695 7.527 1.00 44.23 O ATOM 413 CB LEU A 26 -2.823 -12.528 4.307 1.00 73.04 C ATOM 414 CG LEU A 26 -1.988 -12.552 3.016 1.00 42.44 C ATOM 415 CD1 LEU A 26 -2.813 -12.038 1.836 1.00 33.32 C ATOM 416 CD2 LEU A 26 -0.716 -11.727 3.185 1.00 41.52 C ATOM 0 H LEU A 26 -2.111 -14.893 4.608 1.00 31.00 H new ATOM 0 HA LEU A 26 -1.140 -12.528 5.666 1.00 71.32 H new ATOM 0 HB2 LEU A 26 -3.712 -13.140 4.154 1.00 73.04 H new ATOM 0 HB3 LEU A 26 -3.164 -11.507 4.477 1.00 73.04 H new ATOM 0 HG LEU A 26 -1.701 -13.583 2.810 1.00 42.44 H new ATOM 0 HD11 LEU A 26 -2.207 -12.062 0.930 1.00 33.32 H new ATOM 0 HD12 LEU A 26 -3.690 -12.671 1.702 1.00 33.32 H new ATOM 0 HD13 LEU A 26 -3.131 -11.014 2.033 1.00 33.32 H new ATOM 0 HD21 LEU A 26 -0.138 -11.756 2.261 1.00 41.52 H new ATOM 0 HD22 LEU A 26 -0.980 -10.695 3.416 1.00 41.52 H new ATOM 0 HD23 LEU A 26 -0.120 -12.140 3.999 1.00 41.52 H new ATOM 428 N TYR A 27 -4.004 -13.430 7.047 1.00 42.41 N ATOM 429 CA TYR A 27 -4.898 -13.200 8.184 1.00 20.53 C ATOM 430 C TYR A 27 -4.241 -13.643 9.501 1.00 33.00 C ATOM 431 O TYR A 27 -4.317 -12.947 10.517 1.00 65.10 O ATOM 432 CB TYR A 27 -6.221 -13.953 7.977 1.00 74.44 C ATOM 433 CG TYR A 27 -7.020 -13.488 6.768 1.00 14.43 C ATOM 434 CD1 TYR A 27 -6.671 -13.882 5.479 1.00 52.34 C ATOM 435 CD2 TYR A 27 -8.124 -12.654 6.917 1.00 51.43 C ATOM 436 CE1 TYR A 27 -7.400 -13.461 4.380 1.00 40.42 C ATOM 437 CE2 TYR A 27 -8.857 -12.232 5.823 1.00 53.05 C ATOM 438 CZ TYR A 27 -8.490 -12.636 4.558 1.00 3.13 C ATOM 439 OH TYR A 27 -9.219 -12.216 3.465 1.00 54.01 O ATOM 0 H TYR A 27 -4.261 -14.230 6.468 1.00 42.41 H new ATOM 0 HA TYR A 27 -5.100 -12.131 8.246 1.00 20.53 H new ATOM 0 HB2 TYR A 27 -6.008 -15.017 7.871 1.00 74.44 H new ATOM 0 HB3 TYR A 27 -6.835 -13.839 8.870 1.00 74.44 H new ATOM 0 HD1 TYR A 27 -5.817 -14.527 5.334 1.00 52.34 H new ATOM 0 HD2 TYR A 27 -8.414 -12.330 7.906 1.00 51.43 H new ATOM 0 HE1 TYR A 27 -7.116 -13.778 3.387 1.00 40.42 H new ATOM 0 HE2 TYR A 27 -9.714 -11.588 5.960 1.00 53.05 H new ATOM 0 HH TYR A 27 -10.152 -12.075 3.729 1.00 54.01 H new ATOM 449 N GLU A 28 -3.576 -14.796 9.468 1.00 73.22 N ATOM 450 CA GLU A 28 -2.960 -15.379 10.669 1.00 65.24 C ATOM 451 C GLU A 28 -1.478 -14.981 10.839 1.00 62.44 C ATOM 452 O GLU A 28 -0.717 -15.675 11.517 1.00 15.21 O ATOM 453 CB GLU A 28 -3.120 -16.908 10.648 1.00 24.31 C ATOM 454 CG GLU A 28 -4.571 -17.359 10.826 1.00 61.23 C ATOM 455 CD GLU A 28 -4.747 -18.871 10.852 1.00 45.44 C ATOM 456 OE1 GLU A 28 -3.847 -19.580 11.343 1.00 41.54 O ATOM 457 OE2 GLU A 28 -5.809 -19.354 10.404 1.00 52.03 O ATOM 0 H GLU A 28 -3.447 -15.350 8.622 1.00 73.22 H new ATOM 0 HA GLU A 28 -3.484 -14.971 11.533 1.00 65.24 H new ATOM 0 HB2 GLU A 28 -2.738 -17.295 9.703 1.00 24.31 H new ATOM 0 HB3 GLU A 28 -2.510 -17.343 11.440 1.00 24.31 H new ATOM 0 HG2 GLU A 28 -4.960 -16.942 11.755 1.00 61.23 H new ATOM 0 HG3 GLU A 28 -5.172 -16.947 10.015 1.00 61.23 H new ATOM 464 N LEU A 29 -1.073 -13.863 10.229 1.00 75.03 N ATOM 465 CA LEU A 29 0.235 -13.257 10.530 1.00 72.24 C ATOM 466 C LEU A 29 0.319 -12.916 12.030 1.00 51.10 C ATOM 467 O LEU A 29 1.261 -13.305 12.718 1.00 52.33 O ATOM 468 CB LEU A 29 0.457 -11.994 9.677 1.00 32.44 C ATOM 469 CG LEU A 29 0.726 -12.241 8.179 1.00 44.01 C ATOM 470 CD1 LEU A 29 0.673 -10.938 7.387 1.00 71.52 C ATOM 471 CD2 LEU A 29 2.075 -12.927 7.980 1.00 13.14 C ATOM 0 H LEU A 29 -1.622 -13.361 9.531 1.00 75.03 H new ATOM 0 HA LEU A 29 1.019 -13.973 10.285 1.00 72.24 H new ATOM 0 HB2 LEU A 29 -0.422 -11.356 9.770 1.00 32.44 H new ATOM 0 HB3 LEU A 29 1.299 -11.440 10.092 1.00 32.44 H new ATOM 0 HG LEU A 29 -0.059 -12.898 7.804 1.00 44.01 H new ATOM 0 HD11 LEU A 29 0.866 -11.144 6.334 1.00 71.52 H new ATOM 0 HD12 LEU A 29 -0.314 -10.488 7.493 1.00 71.52 H new ATOM 0 HD13 LEU A 29 1.429 -10.250 7.767 1.00 71.52 H new ATOM 0 HD21 LEU A 29 2.246 -13.092 6.916 1.00 13.14 H new ATOM 0 HD22 LEU A 29 2.867 -12.295 8.381 1.00 13.14 H new ATOM 0 HD23 LEU A 29 2.077 -13.885 8.501 1.00 13.14 H new ATOM 483 N ASP A 30 -0.685 -12.188 12.522 1.00 73.03 N ATOM 484 CA ASP A 30 -0.849 -11.951 13.962 1.00 62.04 C ATOM 485 C ASP A 30 -2.053 -12.726 14.521 1.00 33.20 C ATOM 486 O ASP A 30 -1.998 -13.280 15.620 1.00 54.40 O ATOM 487 CB ASP A 30 -1.065 -10.459 14.253 1.00 3.43 C ATOM 488 CG ASP A 30 0.126 -9.591 13.899 1.00 52.14 C ATOM 489 OD1 ASP A 30 1.256 -9.940 14.290 1.00 61.43 O ATOM 490 OD2 ASP A 30 -0.074 -8.547 13.240 1.00 73.31 O ATOM 0 H ASP A 30 -1.401 -11.749 11.943 1.00 73.03 H new ATOM 0 HA ASP A 30 0.066 -12.296 14.443 1.00 62.04 H new ATOM 0 HB2 ASP A 30 -1.935 -10.111 13.696 1.00 3.43 H new ATOM 0 HB3 ASP A 30 -1.293 -10.334 15.311 1.00 3.43 H new ATOM 495 N GLY A 31 -3.133 -12.781 13.738 1.00 62.23 N ATOM 496 CA GLY A 31 -4.415 -13.251 14.253 1.00 73.20 C ATOM 497 C GLY A 31 -5.206 -12.124 14.916 1.00 21.03 C ATOM 498 O GLY A 31 -6.261 -12.351 15.508 1.00 65.21 O ATOM 0 H GLY A 31 -3.143 -12.508 12.755 1.00 62.23 H new ATOM 0 HA2 GLY A 31 -5.001 -13.676 13.438 1.00 73.20 H new ATOM 0 HA3 GLY A 31 -4.246 -14.050 14.975 1.00 73.20 H new ATOM 502 N ASP A 32 -4.683 -10.904 14.802 1.00 54.03 N ATOM 503 CA ASP A 32 -5.296 -9.714 15.398 1.00 45.23 C ATOM 504 C ASP A 32 -6.657 -9.385 14.751 1.00 13.03 C ATOM 505 O ASP A 32 -6.797 -9.452 13.526 1.00 33.22 O ATOM 506 CB ASP A 32 -4.328 -8.533 15.241 1.00 62.44 C ATOM 507 CG ASP A 32 -4.909 -7.219 15.731 1.00 34.05 C ATOM 508 OD1 ASP A 32 -4.893 -6.973 16.955 1.00 54.14 O ATOM 509 OD2 ASP A 32 -5.387 -6.428 14.897 1.00 24.25 O ATOM 0 H ASP A 32 -3.820 -10.711 14.293 1.00 54.03 H new ATOM 0 HA ASP A 32 -5.485 -9.908 16.454 1.00 45.23 H new ATOM 0 HB2 ASP A 32 -3.412 -8.746 15.791 1.00 62.44 H new ATOM 0 HB3 ASP A 32 -4.053 -8.433 14.191 1.00 62.44 H new ATOM 514 N PRO A 33 -7.676 -9.020 15.567 1.00 73.44 N ATOM 515 CA PRO A 33 -9.014 -8.640 15.072 1.00 34.40 C ATOM 516 C PRO A 33 -8.962 -7.616 13.921 1.00 31.03 C ATOM 517 O PRO A 33 -9.554 -7.828 12.860 1.00 4.01 O ATOM 518 CB PRO A 33 -9.709 -8.037 16.313 1.00 22.34 C ATOM 519 CG PRO A 33 -8.637 -7.896 17.348 1.00 75.23 C ATOM 520 CD PRO A 33 -7.620 -8.955 17.036 1.00 45.04 C ATOM 0 HA PRO A 33 -9.541 -9.496 14.651 1.00 34.40 H new ATOM 0 HB2 PRO A 33 -10.158 -7.071 16.080 1.00 22.34 H new ATOM 0 HB3 PRO A 33 -10.511 -8.685 16.666 1.00 22.34 H new ATOM 0 HG2 PRO A 33 -8.189 -6.903 17.314 1.00 75.23 H new ATOM 0 HG3 PRO A 33 -9.043 -8.028 18.351 1.00 75.23 H new ATOM 0 HD2 PRO A 33 -6.627 -8.683 17.394 1.00 45.04 H new ATOM 0 HD3 PRO A 33 -7.874 -9.910 17.495 1.00 45.04 H new ATOM 528 N LYS A 34 -8.226 -6.523 14.121 1.00 21.34 N ATOM 529 CA LYS A 34 -8.113 -5.474 13.100 1.00 54.11 C ATOM 530 C LYS A 34 -7.416 -5.992 11.832 1.00 23.14 C ATOM 531 O LYS A 34 -7.656 -5.487 10.733 1.00 41.23 O ATOM 532 CB LYS A 34 -7.357 -4.257 13.659 1.00 61.44 C ATOM 533 CG LYS A 34 -8.093 -3.525 14.778 1.00 31.40 C ATOM 534 CD LYS A 34 -9.407 -2.924 14.286 1.00 44.32 C ATOM 535 CE LYS A 34 -10.115 -2.125 15.375 1.00 4.15 C ATOM 536 NZ LYS A 34 -10.548 -2.976 16.515 1.00 3.50 N ATOM 0 H LYS A 34 -7.700 -6.338 14.975 1.00 21.34 H new ATOM 0 HA LYS A 34 -9.124 -5.171 12.828 1.00 54.11 H new ATOM 0 HB2 LYS A 34 -6.387 -4.585 14.031 1.00 61.44 H new ATOM 0 HB3 LYS A 34 -7.166 -3.557 12.846 1.00 61.44 H new ATOM 0 HG2 LYS A 34 -8.292 -4.217 15.597 1.00 31.40 H new ATOM 0 HG3 LYS A 34 -7.457 -2.734 15.176 1.00 31.40 H new ATOM 0 HD2 LYS A 34 -9.212 -2.277 13.431 1.00 44.32 H new ATOM 0 HD3 LYS A 34 -10.063 -3.722 13.938 1.00 44.32 H new ATOM 0 HE2 LYS A 34 -9.447 -1.345 15.741 1.00 4.15 H new ATOM 0 HE3 LYS A 34 -10.985 -1.626 14.948 1.00 4.15 H new ATOM 0 HZ1 LYS A 34 -11.083 -2.399 17.195 1.00 3.50 H new ATOM 0 HZ2 LYS A 34 -11.152 -3.746 16.164 1.00 3.50 H new ATOM 0 HZ3 LYS A 34 -9.712 -3.379 16.984 1.00 3.50 H new ATOM 550 N ARG A 35 -6.566 -7.013 11.982 1.00 44.30 N ATOM 551 CA ARG A 35 -5.848 -7.582 10.836 1.00 43.14 C ATOM 552 C ARG A 35 -6.801 -8.297 9.865 1.00 31.22 C ATOM 553 O ARG A 35 -6.810 -7.999 8.669 1.00 23.03 O ATOM 554 CB ARG A 35 -4.735 -8.543 11.290 1.00 11.12 C ATOM 555 CG ARG A 35 -4.033 -9.243 10.125 1.00 32.24 C ATOM 556 CD ARG A 35 -2.809 -10.037 10.570 1.00 42.12 C ATOM 557 NE ARG A 35 -1.711 -9.172 11.006 1.00 45.04 N ATOM 558 CZ ARG A 35 -0.813 -8.662 10.203 1.00 63.22 C ATOM 559 NH1 ARG A 35 -0.866 -8.875 8.927 1.00 44.30 N ATOM 560 NH2 ARG A 35 0.141 -7.939 10.689 1.00 63.42 N ATOM 0 H ARG A 35 -6.359 -7.459 12.876 1.00 44.30 H new ATOM 0 HA ARG A 35 -5.388 -6.747 10.307 1.00 43.14 H new ATOM 0 HB2 ARG A 35 -3.998 -7.987 11.869 1.00 11.12 H new ATOM 0 HB3 ARG A 35 -5.161 -9.295 11.954 1.00 11.12 H new ATOM 0 HG2 ARG A 35 -4.737 -9.913 9.631 1.00 32.24 H new ATOM 0 HG3 ARG A 35 -3.731 -8.499 9.388 1.00 32.24 H new ATOM 0 HD2 ARG A 35 -3.089 -10.704 11.386 1.00 42.12 H new ATOM 0 HD3 ARG A 35 -2.468 -10.665 9.747 1.00 42.12 H new ATOM 0 HE ARG A 35 -1.642 -8.953 12.000 1.00 45.04 H new ATOM 0 HH11 ARG A 35 -1.615 -9.447 8.536 1.00 44.30 H new ATOM 0 HH12 ARG A 35 -0.159 -8.471 8.313 1.00 44.30 H new ATOM 0 HH21 ARG A 35 0.191 -7.769 11.693 1.00 63.42 H new ATOM 0 HH22 ARG A 35 0.844 -7.538 10.068 1.00 63.42 H new ATOM 574 N LYS A 36 -7.608 -9.238 10.369 1.00 31.44 N ATOM 575 CA LYS A 36 -8.528 -9.971 9.490 1.00 33.42 C ATOM 576 C LYS A 36 -9.693 -9.080 9.034 1.00 23.44 C ATOM 577 O LYS A 36 -10.177 -9.223 7.916 1.00 63.40 O ATOM 578 CB LYS A 36 -9.067 -11.262 10.135 1.00 24.22 C ATOM 579 CG LYS A 36 -10.042 -11.059 11.294 1.00 61.12 C ATOM 580 CD LYS A 36 -9.341 -11.041 12.646 1.00 74.30 C ATOM 581 CE LYS A 36 -8.613 -12.351 12.930 1.00 3.54 C ATOM 582 NZ LYS A 36 -9.536 -13.522 12.927 1.00 12.10 N ATOM 0 H LYS A 36 -7.645 -9.505 11.353 1.00 31.44 H new ATOM 0 HA LYS A 36 -7.944 -10.263 8.617 1.00 33.42 H new ATOM 0 HB2 LYS A 36 -9.563 -11.853 9.365 1.00 24.22 H new ATOM 0 HB3 LYS A 36 -8.221 -11.850 10.493 1.00 24.22 H new ATOM 0 HG2 LYS A 36 -10.579 -10.121 11.154 1.00 61.12 H new ATOM 0 HG3 LYS A 36 -10.785 -11.856 11.284 1.00 61.12 H new ATOM 0 HD2 LYS A 36 -8.628 -10.217 12.674 1.00 74.30 H new ATOM 0 HD3 LYS A 36 -10.073 -10.856 13.432 1.00 74.30 H new ATOM 0 HE2 LYS A 36 -7.835 -12.502 12.181 1.00 3.54 H new ATOM 0 HE3 LYS A 36 -8.115 -12.286 13.898 1.00 3.54 H new ATOM 0 HZ1 LYS A 36 -9.031 -14.363 13.272 1.00 12.10 H new ATOM 0 HZ2 LYS A 36 -10.347 -13.326 13.548 1.00 12.10 H new ATOM 0 HZ3 LYS A 36 -9.875 -13.695 11.959 1.00 12.10 H new ATOM 596 N GLU A 37 -10.136 -8.157 9.895 1.00 71.15 N ATOM 597 CA GLU A 37 -11.173 -7.187 9.510 1.00 31.03 C ATOM 598 C GLU A 37 -10.738 -6.365 8.293 1.00 23.11 C ATOM 599 O GLU A 37 -11.485 -6.234 7.320 1.00 24.42 O ATOM 600 CB GLU A 37 -11.510 -6.244 10.673 1.00 33.04 C ATOM 601 CG GLU A 37 -12.337 -6.895 11.774 1.00 13.20 C ATOM 602 CD GLU A 37 -12.726 -5.919 12.870 1.00 43.03 C ATOM 603 OE1 GLU A 37 -13.410 -4.915 12.561 1.00 11.52 O ATOM 604 OE2 GLU A 37 -12.376 -6.155 14.046 1.00 43.25 O ATOM 0 H GLU A 37 -9.799 -8.059 10.853 1.00 71.15 H new ATOM 0 HA GLU A 37 -12.065 -7.757 9.249 1.00 31.03 H new ATOM 0 HB2 GLU A 37 -10.582 -5.867 11.103 1.00 33.04 H new ATOM 0 HB3 GLU A 37 -12.054 -5.383 10.284 1.00 33.04 H new ATOM 0 HG2 GLU A 37 -13.239 -7.325 11.339 1.00 13.20 H new ATOM 0 HG3 GLU A 37 -11.770 -7.718 12.210 1.00 13.20 H new ATOM 611 N PHE A 38 -9.525 -5.815 8.353 1.00 63.05 N ATOM 612 CA PHE A 38 -8.973 -5.049 7.236 1.00 11.03 C ATOM 613 C PHE A 38 -8.925 -5.884 5.948 1.00 73.23 C ATOM 614 O PHE A 38 -9.450 -5.473 4.920 1.00 2.55 O ATOM 615 CB PHE A 38 -7.566 -4.534 7.576 1.00 74.32 C ATOM 616 CG PHE A 38 -6.857 -3.917 6.394 1.00 54.52 C ATOM 617 CD1 PHE A 38 -7.227 -2.665 5.921 1.00 1.55 C ATOM 618 CD2 PHE A 38 -5.837 -4.599 5.743 1.00 34.42 C ATOM 619 CE1 PHE A 38 -6.591 -2.108 4.831 1.00 23.13 C ATOM 620 CE2 PHE A 38 -5.201 -4.046 4.650 1.00 53.14 C ATOM 621 CZ PHE A 38 -5.580 -2.799 4.193 1.00 44.53 C ATOM 0 H PHE A 38 -8.907 -5.886 9.162 1.00 63.05 H new ATOM 0 HA PHE A 38 -9.634 -4.199 7.066 1.00 11.03 H new ATOM 0 HB2 PHE A 38 -7.640 -3.795 8.374 1.00 74.32 H new ATOM 0 HB3 PHE A 38 -6.967 -5.359 7.960 1.00 74.32 H new ATOM 0 HD1 PHE A 38 -8.021 -2.122 6.412 1.00 1.55 H new ATOM 0 HD2 PHE A 38 -5.538 -5.575 6.097 1.00 34.42 H new ATOM 0 HE1 PHE A 38 -6.884 -1.131 4.476 1.00 23.13 H new ATOM 0 HE2 PHE A 38 -4.409 -4.587 4.153 1.00 53.14 H new ATOM 0 HZ PHE A 38 -5.086 -2.364 3.337 1.00 44.53 H new ATOM 631 N LEU A 39 -8.293 -7.054 6.012 1.00 11.35 N ATOM 632 CA LEU A 39 -8.120 -7.910 4.831 1.00 41.41 C ATOM 633 C LEU A 39 -9.463 -8.415 4.270 1.00 62.54 C ATOM 634 O LEU A 39 -9.709 -8.337 3.069 1.00 53.23 O ATOM 635 CB LEU A 39 -7.210 -9.096 5.175 1.00 13.20 C ATOM 636 CG LEU A 39 -5.774 -8.721 5.586 1.00 72.21 C ATOM 637 CD1 LEU A 39 -4.998 -9.959 6.018 1.00 60.02 C ATOM 638 CD2 LEU A 39 -5.053 -8.002 4.446 1.00 21.35 C ATOM 0 H LEU A 39 -7.890 -7.435 6.868 1.00 11.35 H new ATOM 0 HA LEU A 39 -7.656 -7.303 4.053 1.00 41.41 H new ATOM 0 HB2 LEU A 39 -7.668 -9.661 5.987 1.00 13.20 H new ATOM 0 HB3 LEU A 39 -7.162 -9.760 4.312 1.00 13.20 H new ATOM 0 HG LEU A 39 -5.831 -8.039 6.435 1.00 72.21 H new ATOM 0 HD11 LEU A 39 -3.986 -9.673 6.304 1.00 60.02 H new ATOM 0 HD12 LEU A 39 -5.498 -10.424 6.868 1.00 60.02 H new ATOM 0 HD13 LEU A 39 -4.954 -10.668 5.191 1.00 60.02 H new ATOM 0 HD21 LEU A 39 -4.041 -7.747 4.759 1.00 21.35 H new ATOM 0 HD22 LEU A 39 -5.009 -8.655 3.574 1.00 21.35 H new ATOM 0 HD23 LEU A 39 -5.594 -7.091 4.191 1.00 21.35 H new ATOM 650 N ASP A 40 -10.324 -8.929 5.142 1.00 73.21 N ATOM 651 CA ASP A 40 -11.640 -9.439 4.730 1.00 31.14 C ATOM 652 C ASP A 40 -12.477 -8.344 4.042 1.00 70.23 C ATOM 653 O ASP A 40 -13.073 -8.569 2.984 1.00 60.51 O ATOM 654 CB ASP A 40 -12.381 -9.996 5.952 1.00 60.24 C ATOM 655 CG ASP A 40 -13.766 -10.518 5.615 1.00 15.33 C ATOM 656 OD1 ASP A 40 -13.863 -11.585 4.974 1.00 10.25 O ATOM 657 OD2 ASP A 40 -14.766 -9.863 5.990 1.00 2.14 O ATOM 0 H ASP A 40 -10.139 -9.006 6.142 1.00 73.21 H new ATOM 0 HA ASP A 40 -11.489 -10.238 4.005 1.00 31.14 H new ATOM 0 HB2 ASP A 40 -11.792 -10.801 6.392 1.00 60.24 H new ATOM 0 HB3 ASP A 40 -12.466 -9.214 6.706 1.00 60.24 H new ATOM 662 N ASP A 41 -12.507 -7.159 4.641 1.00 5.32 N ATOM 663 CA ASP A 41 -13.235 -6.019 4.075 1.00 64.22 C ATOM 664 C ASP A 41 -12.531 -5.480 2.815 1.00 35.43 C ATOM 665 O ASP A 41 -13.184 -5.102 1.843 1.00 13.30 O ATOM 666 CB ASP A 41 -13.367 -4.920 5.135 1.00 14.54 C ATOM 667 CG ASP A 41 -14.219 -3.750 4.676 1.00 61.10 C ATOM 668 OD1 ASP A 41 -15.394 -3.971 4.311 1.00 23.34 O ATOM 669 OD2 ASP A 41 -13.726 -2.604 4.690 1.00 31.02 O ATOM 0 H ASP A 41 -12.035 -6.958 5.522 1.00 5.32 H new ATOM 0 HA ASP A 41 -14.230 -6.351 3.777 1.00 64.22 H new ATOM 0 HB2 ASP A 41 -13.802 -5.346 6.039 1.00 14.54 H new ATOM 0 HB3 ASP A 41 -12.374 -4.557 5.399 1.00 14.54 H new ATOM 674 N LEU A 42 -11.196 -5.462 2.842 1.00 44.52 N ATOM 675 CA LEU A 42 -10.387 -5.017 1.695 1.00 32.01 C ATOM 676 C LEU A 42 -10.653 -5.875 0.450 1.00 32.03 C ATOM 677 O LEU A 42 -11.065 -5.363 -0.592 1.00 24.22 O ATOM 678 CB LEU A 42 -8.894 -5.090 2.050 1.00 33.41 C ATOM 679 CG LEU A 42 -7.917 -4.821 0.889 1.00 33.00 C ATOM 680 CD1 LEU A 42 -7.970 -3.360 0.447 1.00 42.03 C ATOM 681 CD2 LEU A 42 -6.500 -5.223 1.284 1.00 23.24 C ATOM 0 H LEU A 42 -10.645 -5.752 3.650 1.00 44.52 H new ATOM 0 HA LEU A 42 -10.669 -3.988 1.470 1.00 32.01 H new ATOM 0 HB2 LEU A 42 -8.693 -4.371 2.844 1.00 33.41 H new ATOM 0 HB3 LEU A 42 -8.684 -6.080 2.456 1.00 33.41 H new ATOM 0 HG LEU A 42 -8.223 -5.431 0.039 1.00 33.00 H new ATOM 0 HD11 LEU A 42 -7.270 -3.202 -0.373 1.00 42.03 H new ATOM 0 HD12 LEU A 42 -8.979 -3.117 0.114 1.00 42.03 H new ATOM 0 HD13 LEU A 42 -7.699 -2.717 1.284 1.00 42.03 H new ATOM 0 HD21 LEU A 42 -5.821 -5.027 0.454 1.00 23.24 H new ATOM 0 HD22 LEU A 42 -6.187 -4.645 2.153 1.00 23.24 H new ATOM 0 HD23 LEU A 42 -6.478 -6.285 1.528 1.00 23.24 H new ATOM 693 N PHE A 43 -10.418 -7.183 0.573 1.00 44.22 N ATOM 694 CA PHE A 43 -10.633 -8.120 -0.534 1.00 44.53 C ATOM 695 C PHE A 43 -12.058 -8.005 -1.089 1.00 45.01 C ATOM 696 O PHE A 43 -12.251 -7.932 -2.299 1.00 54.13 O ATOM 697 CB PHE A 43 -10.343 -9.561 -0.084 1.00 61.53 C ATOM 698 CG PHE A 43 -8.867 -9.885 0.031 1.00 74.42 C ATOM 699 CD1 PHE A 43 -8.017 -9.104 0.806 1.00 0.12 C ATOM 700 CD2 PHE A 43 -8.332 -10.985 -0.630 1.00 61.51 C ATOM 701 CE1 PHE A 43 -6.672 -9.410 0.915 1.00 62.12 C ATOM 702 CE2 PHE A 43 -6.989 -11.292 -0.524 1.00 33.31 C ATOM 703 CZ PHE A 43 -6.158 -10.506 0.251 1.00 34.22 C ATOM 0 H PHE A 43 -10.078 -7.619 1.430 1.00 44.22 H new ATOM 0 HA PHE A 43 -9.940 -7.859 -1.334 1.00 44.53 H new ATOM 0 HB2 PHE A 43 -10.818 -9.732 0.882 1.00 61.53 H new ATOM 0 HB3 PHE A 43 -10.802 -10.251 -0.792 1.00 61.53 H new ATOM 0 HD1 PHE A 43 -8.412 -8.246 1.330 1.00 0.12 H new ATOM 0 HD2 PHE A 43 -8.975 -11.608 -1.234 1.00 61.51 H new ATOM 0 HE1 PHE A 43 -6.025 -8.792 1.519 1.00 62.12 H new ATOM 0 HE2 PHE A 43 -6.588 -12.147 -1.048 1.00 33.31 H new ATOM 0 HZ PHE A 43 -5.109 -10.748 0.337 1.00 34.22 H new ATOM 713 N SER A 44 -13.046 -7.966 -0.198 1.00 61.54 N ATOM 714 CA SER A 44 -14.449 -7.793 -0.605 1.00 31.30 C ATOM 715 C SER A 44 -14.658 -6.457 -1.340 1.00 44.25 C ATOM 716 O SER A 44 -15.282 -6.412 -2.399 1.00 13.30 O ATOM 717 CB SER A 44 -15.374 -7.859 0.618 1.00 14.32 C ATOM 718 OG SER A 44 -15.230 -9.091 1.309 1.00 11.12 O ATOM 0 H SER A 44 -12.908 -8.051 0.809 1.00 61.54 H new ATOM 0 HA SER A 44 -14.696 -8.605 -1.289 1.00 31.30 H new ATOM 0 HB2 SER A 44 -15.148 -7.033 1.292 1.00 14.32 H new ATOM 0 HB3 SER A 44 -16.409 -7.737 0.300 1.00 14.32 H new ATOM 0 HG SER A 44 -14.493 -9.022 1.951 1.00 11.12 H new ATOM 724 N PHE A 45 -14.111 -5.377 -0.779 1.00 32.44 N ATOM 725 CA PHE A 45 -14.252 -4.034 -1.360 1.00 63.22 C ATOM 726 C PHE A 45 -13.677 -3.968 -2.786 1.00 52.43 C ATOM 727 O PHE A 45 -14.371 -3.586 -3.736 1.00 45.30 O ATOM 728 CB PHE A 45 -13.560 -2.996 -0.459 1.00 21.24 C ATOM 729 CG PHE A 45 -13.572 -1.592 -1.017 1.00 44.33 C ATOM 730 CD1 PHE A 45 -14.730 -0.827 -0.984 1.00 71.41 C ATOM 731 CD2 PHE A 45 -12.425 -1.040 -1.573 1.00 24.21 C ATOM 732 CE1 PHE A 45 -14.744 0.456 -1.497 1.00 40.44 C ATOM 733 CE2 PHE A 45 -12.436 0.243 -2.086 1.00 74.41 C ATOM 734 CZ PHE A 45 -13.596 0.992 -2.047 1.00 31.32 C ATOM 0 H PHE A 45 -13.563 -5.403 0.081 1.00 32.44 H new ATOM 0 HA PHE A 45 -15.316 -3.807 -1.423 1.00 63.22 H new ATOM 0 HB2 PHE A 45 -14.048 -2.993 0.515 1.00 21.24 H new ATOM 0 HB3 PHE A 45 -12.527 -3.303 -0.297 1.00 21.24 H new ATOM 0 HD1 PHE A 45 -15.630 -1.239 -0.552 1.00 71.41 H new ATOM 0 HD2 PHE A 45 -11.515 -1.620 -1.605 1.00 24.21 H new ATOM 0 HE1 PHE A 45 -15.652 1.039 -1.468 1.00 40.44 H new ATOM 0 HE2 PHE A 45 -11.538 0.660 -2.517 1.00 74.41 H new ATOM 0 HZ PHE A 45 -13.605 1.996 -2.446 1.00 31.32 H new ATOM 744 N MET A 46 -12.407 -4.343 -2.932 1.00 61.02 N ATOM 745 CA MET A 46 -11.746 -4.315 -4.239 1.00 72.12 C ATOM 746 C MET A 46 -12.377 -5.332 -5.211 1.00 44.43 C ATOM 747 O MET A 46 -12.525 -5.053 -6.403 1.00 52.14 O ATOM 748 CB MET A 46 -10.235 -4.563 -4.087 1.00 71.25 C ATOM 749 CG MET A 46 -9.879 -5.922 -3.497 1.00 2.10 C ATOM 750 SD MET A 46 -8.113 -6.108 -3.195 1.00 32.32 S ATOM 751 CE MET A 46 -7.451 -5.757 -4.821 1.00 51.00 C ATOM 0 H MET A 46 -11.816 -4.668 -2.167 1.00 61.02 H new ATOM 0 HA MET A 46 -11.890 -3.322 -4.665 1.00 72.12 H new ATOM 0 HB2 MET A 46 -9.763 -4.470 -5.065 1.00 71.25 H new ATOM 0 HB3 MET A 46 -9.813 -3.783 -3.454 1.00 71.25 H new ATOM 0 HG2 MET A 46 -10.420 -6.060 -2.561 1.00 2.10 H new ATOM 0 HG3 MET A 46 -10.212 -6.707 -4.176 1.00 2.10 H new ATOM 0 HE1 MET A 46 -6.376 -5.936 -4.823 1.00 51.00 H new ATOM 0 HE2 MET A 46 -7.928 -6.405 -5.556 1.00 51.00 H new ATOM 0 HE3 MET A 46 -7.646 -4.715 -5.076 1.00 51.00 H new ATOM 761 N GLN A 47 -12.775 -6.494 -4.692 1.00 4.34 N ATOM 762 CA GLN A 47 -13.426 -7.533 -5.505 1.00 12.45 C ATOM 763 C GLN A 47 -14.710 -7.008 -6.170 1.00 53.13 C ATOM 764 O GLN A 47 -14.863 -7.066 -7.394 1.00 71.12 O ATOM 765 CB GLN A 47 -13.753 -8.750 -4.627 1.00 3.32 C ATOM 766 CG GLN A 47 -14.398 -9.917 -5.370 1.00 35.30 C ATOM 767 CD GLN A 47 -14.699 -11.094 -4.455 1.00 31.32 C ATOM 768 OE1 GLN A 47 -14.969 -10.923 -3.269 1.00 22.44 O ATOM 769 NE2 GLN A 47 -14.660 -12.297 -4.992 1.00 5.54 N ATOM 0 H GLN A 47 -12.659 -6.744 -3.710 1.00 4.34 H new ATOM 0 HA GLN A 47 -12.735 -7.825 -6.296 1.00 12.45 H new ATOM 0 HB2 GLN A 47 -12.834 -9.100 -4.157 1.00 3.32 H new ATOM 0 HB3 GLN A 47 -14.420 -8.434 -3.825 1.00 3.32 H new ATOM 0 HG2 GLN A 47 -15.322 -9.579 -5.838 1.00 35.30 H new ATOM 0 HG3 GLN A 47 -13.736 -10.244 -6.172 1.00 35.30 H new ATOM 0 HE21 GLN A 47 -14.433 -12.407 -5.980 1.00 5.54 H new ATOM 0 HE22 GLN A 47 -14.857 -13.118 -4.419 1.00 5.54 H new ATOM 778 N LYS A 48 -15.616 -6.473 -5.356 1.00 65.42 N ATOM 779 CA LYS A 48 -16.911 -5.984 -5.843 1.00 73.34 C ATOM 780 C LYS A 48 -16.756 -4.783 -6.797 1.00 5.04 C ATOM 781 O LYS A 48 -17.564 -4.606 -7.710 1.00 14.34 O ATOM 782 CB LYS A 48 -17.813 -5.599 -4.662 1.00 22.13 C ATOM 783 CG LYS A 48 -18.064 -6.740 -3.676 1.00 15.04 C ATOM 784 CD LYS A 48 -18.949 -6.291 -2.517 1.00 4.33 C ATOM 785 CE LYS A 48 -19.070 -7.362 -1.439 1.00 61.31 C ATOM 786 NZ LYS A 48 -19.619 -8.642 -1.961 1.00 70.34 N ATOM 0 H LYS A 48 -15.480 -6.365 -4.351 1.00 65.42 H new ATOM 0 HA LYS A 48 -17.372 -6.796 -6.405 1.00 73.34 H new ATOM 0 HB2 LYS A 48 -17.359 -4.764 -4.128 1.00 22.13 H new ATOM 0 HB3 LYS A 48 -18.770 -5.248 -5.048 1.00 22.13 H new ATOM 0 HG2 LYS A 48 -18.537 -7.574 -4.195 1.00 15.04 H new ATOM 0 HG3 LYS A 48 -17.112 -7.104 -3.289 1.00 15.04 H new ATOM 0 HD2 LYS A 48 -18.538 -5.381 -2.079 1.00 4.33 H new ATOM 0 HD3 LYS A 48 -19.941 -6.043 -2.894 1.00 4.33 H new ATOM 0 HE2 LYS A 48 -18.088 -7.544 -1.002 1.00 61.31 H new ATOM 0 HE3 LYS A 48 -19.713 -6.995 -0.639 1.00 61.31 H new ATOM 0 HZ1 LYS A 48 -19.792 -9.294 -1.169 1.00 70.34 H new ATOM 0 HZ2 LYS A 48 -20.513 -8.459 -2.460 1.00 70.34 H new ATOM 0 HZ3 LYS A 48 -18.937 -9.069 -2.619 1.00 70.34 H new ATOM 800 N ARG A 49 -15.720 -3.961 -6.595 1.00 71.51 N ATOM 801 CA ARG A 49 -15.498 -2.791 -7.463 1.00 3.13 C ATOM 802 C ARG A 49 -14.850 -3.192 -8.805 1.00 42.25 C ATOM 803 O ARG A 49 -14.632 -2.349 -9.680 1.00 41.12 O ATOM 804 CB ARG A 49 -14.644 -1.725 -6.753 1.00 71.23 C ATOM 805 CG ARG A 49 -13.147 -2.024 -6.728 1.00 41.32 C ATOM 806 CD ARG A 49 -12.357 -0.931 -6.007 1.00 2.02 C ATOM 807 NE ARG A 49 -12.647 0.407 -6.531 1.00 43.14 N ATOM 808 CZ ARG A 49 -11.827 1.119 -7.265 1.00 21.14 C ATOM 809 NH1 ARG A 49 -10.674 0.652 -7.628 1.00 44.13 N ATOM 810 NH2 ARG A 49 -12.173 2.306 -7.638 1.00 32.31 N ATOM 0 H ARG A 49 -15.031 -4.078 -5.852 1.00 71.51 H new ATOM 0 HA ARG A 49 -16.477 -2.362 -7.678 1.00 3.13 H new ATOM 0 HB2 ARG A 49 -14.801 -0.765 -7.245 1.00 71.23 H new ATOM 0 HB3 ARG A 49 -14.997 -1.619 -5.727 1.00 71.23 H new ATOM 0 HG2 ARG A 49 -12.976 -2.981 -6.234 1.00 41.32 H new ATOM 0 HG3 ARG A 49 -12.780 -2.123 -7.750 1.00 41.32 H new ATOM 0 HD2 ARG A 49 -12.591 -0.960 -4.943 1.00 2.02 H new ATOM 0 HD3 ARG A 49 -11.290 -1.133 -6.105 1.00 2.02 H new ATOM 0 HE ARG A 49 -13.555 0.815 -6.308 1.00 43.14 H new ATOM 0 HH11 ARG A 49 -10.391 -0.285 -7.342 1.00 44.13 H new ATOM 0 HH12 ARG A 49 -10.050 1.222 -8.199 1.00 44.13 H new ATOM 0 HH21 ARG A 49 -13.079 2.684 -7.361 1.00 32.31 H new ATOM 0 HH22 ARG A 49 -11.540 2.866 -8.209 1.00 32.31 H new ATOM 824 N GLY A 50 -14.536 -4.481 -8.959 1.00 30.54 N ATOM 825 CA GLY A 50 -14.055 -4.998 -10.241 1.00 32.43 C ATOM 826 C GLY A 50 -12.566 -5.347 -10.280 1.00 63.55 C ATOM 827 O GLY A 50 -11.993 -5.490 -11.361 1.00 14.11 O ATOM 0 H GLY A 50 -14.605 -5.179 -8.219 1.00 30.54 H new ATOM 0 HA2 GLY A 50 -14.628 -5.890 -10.494 1.00 32.43 H new ATOM 0 HA3 GLY A 50 -14.260 -4.257 -11.014 1.00 32.43 H new ATOM 831 N THR A 51 -11.932 -5.498 -9.117 1.00 1.44 N ATOM 832 CA THR A 51 -10.509 -5.888 -9.061 1.00 11.33 C ATOM 833 C THR A 51 -10.175 -6.693 -7.792 1.00 73.25 C ATOM 834 O THR A 51 -9.821 -6.132 -6.759 1.00 74.43 O ATOM 835 CB THR A 51 -9.561 -4.659 -9.169 1.00 64.41 C ATOM 836 OG1 THR A 51 -8.198 -5.055 -8.934 1.00 23.25 O ATOM 837 CG2 THR A 51 -9.955 -3.550 -8.192 1.00 13.21 C ATOM 0 H THR A 51 -12.369 -5.360 -8.206 1.00 1.44 H new ATOM 0 HA THR A 51 -10.343 -6.529 -9.927 1.00 11.33 H new ATOM 0 HB THR A 51 -9.654 -4.264 -10.181 1.00 64.41 H new ATOM 0 HG1 THR A 51 -7.613 -4.272 -9.007 1.00 23.25 H new ATOM 0 HG21 THR A 51 -9.269 -2.710 -8.299 1.00 13.21 H new ATOM 0 HG22 THR A 51 -10.971 -3.218 -8.408 1.00 13.21 H new ATOM 0 HG23 THR A 51 -9.907 -3.930 -7.172 1.00 13.21 H new ATOM 845 N PRO A 52 -10.320 -8.031 -7.845 1.00 43.43 N ATOM 846 CA PRO A 52 -9.961 -8.915 -6.727 1.00 31.44 C ATOM 847 C PRO A 52 -8.482 -9.344 -6.747 1.00 52.34 C ATOM 848 O PRO A 52 -7.779 -9.150 -7.739 1.00 41.43 O ATOM 849 CB PRO A 52 -10.872 -10.118 -6.971 1.00 70.34 C ATOM 850 CG PRO A 52 -10.973 -10.212 -8.460 1.00 12.23 C ATOM 851 CD PRO A 52 -10.866 -8.795 -8.988 1.00 52.24 C ATOM 0 HA PRO A 52 -10.086 -8.433 -5.757 1.00 31.44 H new ATOM 0 HB2 PRO A 52 -10.452 -11.028 -6.543 1.00 70.34 H new ATOM 0 HB3 PRO A 52 -11.851 -9.974 -6.515 1.00 70.34 H new ATOM 0 HG2 PRO A 52 -10.177 -10.838 -8.864 1.00 12.23 H new ATOM 0 HG3 PRO A 52 -11.918 -10.667 -8.757 1.00 12.23 H new ATOM 0 HD2 PRO A 52 -10.209 -8.740 -9.856 1.00 52.24 H new ATOM 0 HD3 PRO A 52 -11.837 -8.410 -9.299 1.00 52.24 H new ATOM 859 N VAL A 53 -8.014 -9.931 -5.646 1.00 14.32 N ATOM 860 CA VAL A 53 -6.650 -10.463 -5.576 1.00 32.50 C ATOM 861 C VAL A 53 -6.619 -11.928 -6.039 1.00 32.13 C ATOM 862 O VAL A 53 -7.137 -12.814 -5.356 1.00 52.21 O ATOM 863 CB VAL A 53 -6.080 -10.371 -4.136 1.00 11.55 C ATOM 864 CG1 VAL A 53 -4.634 -10.870 -4.081 1.00 64.23 C ATOM 865 CG2 VAL A 53 -6.186 -8.943 -3.601 1.00 60.43 C ATOM 0 H VAL A 53 -8.557 -10.051 -4.791 1.00 14.32 H new ATOM 0 HA VAL A 53 -6.030 -9.857 -6.237 1.00 32.50 H new ATOM 0 HB VAL A 53 -6.679 -11.019 -3.496 1.00 11.55 H new ATOM 0 HG11 VAL A 53 -4.261 -10.794 -3.060 1.00 64.23 H new ATOM 0 HG12 VAL A 53 -4.596 -11.910 -4.404 1.00 64.23 H new ATOM 0 HG13 VAL A 53 -4.014 -10.262 -4.740 1.00 64.23 H new ATOM 0 HG21 VAL A 53 -5.780 -8.902 -2.590 1.00 60.43 H new ATOM 0 HG22 VAL A 53 -5.621 -8.270 -4.246 1.00 60.43 H new ATOM 0 HG23 VAL A 53 -7.232 -8.637 -3.585 1.00 60.43 H new ATOM 875 N ASN A 54 -6.037 -12.176 -7.213 1.00 43.12 N ATOM 876 CA ASN A 54 -5.937 -13.541 -7.747 1.00 73.54 C ATOM 877 C ASN A 54 -4.812 -14.331 -7.052 1.00 32.21 C ATOM 878 O ASN A 54 -5.030 -15.436 -6.558 1.00 44.10 O ATOM 879 CB ASN A 54 -5.710 -13.510 -9.264 1.00 33.31 C ATOM 880 CG ASN A 54 -5.805 -14.894 -9.887 1.00 60.01 C ATOM 881 OD1 ASN A 54 -6.881 -15.345 -10.260 1.00 32.22 O ATOM 882 ND2 ASN A 54 -4.682 -15.574 -10.009 1.00 60.12 N ATOM 0 H ASN A 54 -5.629 -11.457 -7.811 1.00 43.12 H new ATOM 0 HA ASN A 54 -6.880 -14.049 -7.544 1.00 73.54 H new ATOM 0 HB2 ASN A 54 -6.447 -12.854 -9.727 1.00 33.31 H new ATOM 0 HB3 ASN A 54 -4.728 -13.085 -9.474 1.00 33.31 H new ATOM 0 HD21 ASN A 54 -4.692 -16.505 -10.425 1.00 60.12 H new ATOM 0 HD22 ASN A 54 -3.803 -15.169 -9.688 1.00 60.12 H new ATOM 889 N ARG A 55 -3.604 -13.766 -7.024 1.00 35.54 N ATOM 890 CA ARG A 55 -2.481 -14.390 -6.310 1.00 62.51 C ATOM 891 C ARG A 55 -1.588 -13.336 -5.631 1.00 32.12 C ATOM 892 O ARG A 55 -1.536 -12.179 -6.051 1.00 31.41 O ATOM 893 CB ARG A 55 -1.660 -15.296 -7.245 1.00 65.44 C ATOM 894 CG ARG A 55 -1.070 -14.606 -8.477 1.00 73.01 C ATOM 895 CD ARG A 55 -0.334 -15.609 -9.363 1.00 40.14 C ATOM 896 NE ARG A 55 0.260 -14.994 -10.549 1.00 43.14 N ATOM 897 CZ ARG A 55 0.266 -15.546 -11.735 1.00 22.33 C ATOM 898 NH1 ARG A 55 -0.314 -16.689 -11.934 1.00 31.04 N ATOM 899 NH2 ARG A 55 0.853 -14.951 -12.724 1.00 45.12 N ATOM 0 H ARG A 55 -3.376 -12.884 -7.483 1.00 35.54 H new ATOM 0 HA ARG A 55 -2.902 -15.017 -5.524 1.00 62.51 H new ATOM 0 HB2 ARG A 55 -0.845 -15.737 -6.672 1.00 65.44 H new ATOM 0 HB3 ARG A 55 -2.296 -16.116 -7.579 1.00 65.44 H new ATOM 0 HG2 ARG A 55 -1.866 -14.127 -9.047 1.00 73.01 H new ATOM 0 HG3 ARG A 55 -0.384 -13.819 -8.164 1.00 73.01 H new ATOM 0 HD2 ARG A 55 0.450 -16.094 -8.781 1.00 40.14 H new ATOM 0 HD3 ARG A 55 -1.029 -16.389 -9.674 1.00 40.14 H new ATOM 0 HE ARG A 55 0.697 -14.078 -10.445 1.00 43.14 H new ATOM 0 HH11 ARG A 55 -0.780 -17.166 -11.162 1.00 31.04 H new ATOM 0 HH12 ARG A 55 -0.304 -17.111 -12.862 1.00 31.04 H new ATOM 0 HH21 ARG A 55 1.311 -14.051 -12.579 1.00 45.12 H new ATOM 0 HH22 ARG A 55 0.857 -15.382 -13.648 1.00 45.12 H new ATOM 913 N ILE A 56 -0.885 -13.758 -4.582 1.00 41.21 N ATOM 914 CA ILE A 56 -0.134 -12.840 -3.713 1.00 21.14 C ATOM 915 C ILE A 56 1.297 -12.579 -4.226 1.00 33.32 C ATOM 916 O ILE A 56 1.981 -13.503 -4.670 1.00 42.42 O ATOM 917 CB ILE A 56 -0.056 -13.418 -2.277 1.00 54.55 C ATOM 918 CG1 ILE A 56 -1.469 -13.717 -1.753 1.00 24.54 C ATOM 919 CG2 ILE A 56 0.680 -12.462 -1.336 1.00 5.10 C ATOM 920 CD1 ILE A 56 -1.489 -14.385 -0.395 1.00 43.34 C ATOM 0 H ILE A 56 -0.817 -14.738 -4.308 1.00 41.21 H new ATOM 0 HA ILE A 56 -0.670 -11.891 -3.716 1.00 21.14 H new ATOM 0 HB ILE A 56 0.511 -14.349 -2.311 1.00 54.55 H new ATOM 0 HG12 ILE A 56 -2.030 -12.784 -1.697 1.00 24.54 H new ATOM 0 HG13 ILE A 56 -1.984 -14.357 -2.470 1.00 24.54 H new ATOM 0 HG21 ILE A 56 0.719 -12.894 -0.336 1.00 5.10 H new ATOM 0 HG22 ILE A 56 1.694 -12.301 -1.702 1.00 5.10 H new ATOM 0 HG23 ILE A 56 0.152 -11.509 -1.299 1.00 5.10 H new ATOM 0 HD11 ILE A 56 -2.521 -14.564 -0.093 1.00 43.34 H new ATOM 0 HD12 ILE A 56 -0.957 -15.335 -0.449 1.00 43.34 H new ATOM 0 HD13 ILE A 56 -1.004 -13.738 0.336 1.00 43.34 H new ATOM 932 N PRO A 57 1.759 -11.309 -4.185 1.00 33.04 N ATOM 933 CA PRO A 57 3.158 -10.962 -4.493 1.00 54.24 C ATOM 934 C PRO A 57 4.127 -11.394 -3.375 1.00 50.33 C ATOM 935 O PRO A 57 3.881 -11.148 -2.189 1.00 65.22 O ATOM 936 CB PRO A 57 3.119 -9.433 -4.618 1.00 10.04 C ATOM 937 CG PRO A 57 1.985 -9.016 -3.744 1.00 11.30 C ATOM 938 CD PRO A 57 0.956 -10.111 -3.859 1.00 64.11 C ATOM 0 HA PRO A 57 3.521 -11.467 -5.388 1.00 54.24 H new ATOM 0 HB2 PRO A 57 4.057 -8.984 -4.292 1.00 10.04 H new ATOM 0 HB3 PRO A 57 2.959 -9.123 -5.651 1.00 10.04 H new ATOM 0 HG2 PRO A 57 2.312 -8.893 -2.711 1.00 11.30 H new ATOM 0 HG3 PRO A 57 1.575 -8.058 -4.065 1.00 11.30 H new ATOM 0 HD2 PRO A 57 0.402 -10.240 -2.929 1.00 64.11 H new ATOM 0 HD3 PRO A 57 0.225 -9.894 -4.638 1.00 64.11 H new ATOM 946 N ILE A 58 5.229 -12.032 -3.756 1.00 74.41 N ATOM 947 CA ILE A 58 6.210 -12.530 -2.786 1.00 74.11 C ATOM 948 C ILE A 58 7.485 -11.670 -2.792 1.00 3.13 C ATOM 949 O ILE A 58 8.066 -11.405 -3.847 1.00 75.01 O ATOM 950 CB ILE A 58 6.577 -14.014 -3.063 1.00 54.23 C ATOM 951 CG1 ILE A 58 5.304 -14.882 -3.130 1.00 44.54 C ATOM 952 CG2 ILE A 58 7.535 -14.548 -1.995 1.00 10.45 C ATOM 953 CD1 ILE A 58 4.480 -14.877 -1.856 1.00 12.31 C ATOM 0 H ILE A 58 5.469 -12.219 -4.730 1.00 74.41 H new ATOM 0 HA ILE A 58 5.747 -12.464 -1.801 1.00 74.11 H new ATOM 0 HB ILE A 58 7.082 -14.064 -4.028 1.00 54.23 H new ATOM 0 HG12 ILE A 58 4.682 -14.531 -3.953 1.00 44.54 H new ATOM 0 HG13 ILE A 58 5.589 -15.908 -3.361 1.00 44.54 H new ATOM 0 HG21 ILE A 58 7.777 -15.589 -2.211 1.00 10.45 H new ATOM 0 HG22 ILE A 58 8.449 -13.955 -1.997 1.00 10.45 H new ATOM 0 HG23 ILE A 58 7.062 -14.481 -1.015 1.00 10.45 H new ATOM 0 HD11 ILE A 58 3.603 -15.511 -1.987 1.00 12.31 H new ATOM 0 HD12 ILE A 58 5.083 -15.257 -1.031 1.00 12.31 H new ATOM 0 HD13 ILE A 58 4.161 -13.859 -1.633 1.00 12.31 H new ATOM 965 N MET A 59 7.909 -11.236 -1.606 1.00 53.00 N ATOM 966 CA MET A 59 9.102 -10.389 -1.453 1.00 20.33 C ATOM 967 C MET A 59 10.076 -11.006 -0.444 1.00 43.14 C ATOM 968 O MET A 59 9.658 -11.505 0.594 1.00 34.04 O ATOM 969 CB MET A 59 8.700 -8.981 -0.980 1.00 1.22 C ATOM 970 CG MET A 59 9.889 -8.086 -0.643 1.00 52.22 C ATOM 971 SD MET A 59 10.931 -7.743 -2.072 1.00 45.52 S ATOM 972 CE MET A 59 9.862 -6.659 -3.014 1.00 75.02 C ATOM 0 H MET A 59 7.442 -11.457 -0.726 1.00 53.00 H new ATOM 0 HA MET A 59 9.593 -10.318 -2.423 1.00 20.33 H new ATOM 0 HB2 MET A 59 8.105 -8.502 -1.757 1.00 1.22 H new ATOM 0 HB3 MET A 59 8.063 -9.071 -0.100 1.00 1.22 H new ATOM 0 HG2 MET A 59 9.524 -7.145 -0.231 1.00 52.22 H new ATOM 0 HG3 MET A 59 10.489 -8.563 0.132 1.00 52.22 H new ATOM 0 HE1 MET A 59 9.532 -7.170 -3.919 1.00 75.02 H new ATOM 0 HE2 MET A 59 8.994 -6.391 -2.412 1.00 75.02 H new ATOM 0 HE3 MET A 59 10.408 -5.756 -3.286 1.00 75.02 H new ATOM 982 N ALA A 60 11.376 -10.969 -0.753 1.00 32.15 N ATOM 983 CA ALA A 60 12.408 -11.509 0.149 1.00 50.23 C ATOM 984 C ALA A 60 12.144 -12.987 0.506 1.00 23.12 C ATOM 985 O ALA A 60 12.513 -13.452 1.585 1.00 50.24 O ATOM 986 CB ALA A 60 12.494 -10.658 1.416 1.00 41.12 C ATOM 0 H ALA A 60 11.742 -10.572 -1.618 1.00 32.15 H new ATOM 0 HA ALA A 60 13.363 -11.469 -0.375 1.00 50.23 H new ATOM 0 HB1 ALA A 60 13.260 -11.065 2.076 1.00 41.12 H new ATOM 0 HB2 ALA A 60 12.753 -9.633 1.149 1.00 41.12 H new ATOM 0 HB3 ALA A 60 11.531 -10.668 1.927 1.00 41.12 H new ATOM 992 N LYS A 61 11.518 -13.714 -0.428 1.00 24.34 N ATOM 993 CA LYS A 61 11.189 -15.142 -0.258 1.00 24.11 C ATOM 994 C LYS A 61 10.102 -15.360 0.817 1.00 13.12 C ATOM 995 O LYS A 61 9.875 -16.487 1.261 1.00 71.12 O ATOM 996 CB LYS A 61 12.452 -15.973 0.072 1.00 73.41 C ATOM 997 CG LYS A 61 13.677 -15.607 -0.773 1.00 24.41 C ATOM 998 CD LYS A 61 13.349 -15.530 -2.263 1.00 11.42 C ATOM 999 CE LYS A 61 14.418 -14.769 -3.042 1.00 42.04 C ATOM 1000 NZ LYS A 61 13.934 -14.365 -4.388 1.00 14.12 N ATOM 0 H LYS A 61 11.223 -13.331 -1.326 1.00 24.34 H new ATOM 0 HA LYS A 61 10.787 -15.489 -1.210 1.00 24.11 H new ATOM 0 HB2 LYS A 61 12.697 -15.840 1.126 1.00 73.41 H new ATOM 0 HB3 LYS A 61 12.227 -17.030 -0.072 1.00 73.41 H new ATOM 0 HG2 LYS A 61 14.072 -14.647 -0.440 1.00 24.41 H new ATOM 0 HG3 LYS A 61 14.461 -16.347 -0.613 1.00 24.41 H new ATOM 0 HD2 LYS A 61 13.254 -16.538 -2.667 1.00 11.42 H new ATOM 0 HD3 LYS A 61 12.384 -15.041 -2.398 1.00 11.42 H new ATOM 0 HE2 LYS A 61 14.715 -13.883 -2.481 1.00 42.04 H new ATOM 0 HE3 LYS A 61 15.306 -15.393 -3.147 1.00 42.04 H new ATOM 0 HZ1 LYS A 61 14.687 -13.851 -4.888 1.00 14.12 H new ATOM 0 HZ2 LYS A 61 13.674 -15.212 -4.932 1.00 14.12 H new ATOM 0 HZ3 LYS A 61 13.102 -13.749 -4.287 1.00 14.12 H new ATOM 1014 N GLN A 62 9.421 -14.283 1.214 1.00 31.42 N ATOM 1015 CA GLN A 62 8.319 -14.361 2.188 1.00 61.34 C ATOM 1016 C GLN A 62 7.052 -13.682 1.638 1.00 34.42 C ATOM 1017 O GLN A 62 7.113 -12.905 0.682 1.00 23.14 O ATOM 1018 CB GLN A 62 8.720 -13.701 3.521 1.00 2.22 C ATOM 1019 CG GLN A 62 9.044 -12.215 3.400 1.00 51.23 C ATOM 1020 CD GLN A 62 9.314 -11.553 4.740 1.00 61.42 C ATOM 1021 OE1 GLN A 62 10.443 -11.522 5.221 1.00 64.03 O ATOM 1022 NE2 GLN A 62 8.281 -11.005 5.347 1.00 30.43 N ATOM 0 H GLN A 62 9.611 -13.339 0.876 1.00 31.42 H new ATOM 0 HA GLN A 62 8.107 -15.416 2.363 1.00 61.34 H new ATOM 0 HB2 GLN A 62 7.909 -13.829 4.238 1.00 2.22 H new ATOM 0 HB3 GLN A 62 9.588 -14.221 3.926 1.00 2.22 H new ATOM 0 HG2 GLN A 62 9.916 -12.090 2.758 1.00 51.23 H new ATOM 0 HG3 GLN A 62 8.213 -11.707 2.911 1.00 51.23 H new ATOM 0 HE21 GLN A 62 7.356 -11.049 4.919 1.00 30.43 H new ATOM 0 HE22 GLN A 62 8.406 -10.537 6.245 1.00 30.43 H new ATOM 1031 N VAL A 63 5.901 -13.977 2.239 1.00 1.55 N ATOM 1032 CA VAL A 63 4.644 -13.346 1.826 1.00 11.12 C ATOM 1033 C VAL A 63 4.615 -11.854 2.221 1.00 14.40 C ATOM 1034 O VAL A 63 4.980 -11.491 3.343 1.00 34.43 O ATOM 1035 CB VAL A 63 3.415 -14.078 2.431 1.00 51.11 C ATOM 1036 CG1 VAL A 63 3.437 -14.033 3.958 1.00 61.34 C ATOM 1037 CG2 VAL A 63 2.112 -13.495 1.886 1.00 22.22 C ATOM 0 H VAL A 63 5.810 -14.642 3.007 1.00 1.55 H new ATOM 0 HA VAL A 63 4.588 -13.422 0.740 1.00 11.12 H new ATOM 0 HB VAL A 63 3.471 -15.124 2.131 1.00 51.11 H new ATOM 0 HG11 VAL A 63 2.564 -14.554 4.350 1.00 61.34 H new ATOM 0 HG12 VAL A 63 4.343 -14.517 4.323 1.00 61.34 H new ATOM 0 HG13 VAL A 63 3.421 -12.995 4.292 1.00 61.34 H new ATOM 0 HG21 VAL A 63 1.266 -14.024 2.324 1.00 22.22 H new ATOM 0 HG22 VAL A 63 2.051 -12.437 2.142 1.00 22.22 H new ATOM 0 HG23 VAL A 63 2.088 -13.607 0.802 1.00 22.22 H new ATOM 1047 N LEU A 64 4.207 -10.994 1.288 1.00 51.45 N ATOM 1048 CA LEU A 64 4.135 -9.552 1.552 1.00 13.31 C ATOM 1049 C LEU A 64 2.985 -9.220 2.515 1.00 43.54 C ATOM 1050 O LEU A 64 1.808 -9.414 2.191 1.00 45.41 O ATOM 1051 CB LEU A 64 3.968 -8.775 0.237 1.00 15.15 C ATOM 1052 CG LEU A 64 3.951 -7.241 0.374 1.00 34.14 C ATOM 1053 CD1 LEU A 64 5.244 -6.733 1.014 1.00 0.42 C ATOM 1054 CD2 LEU A 64 3.728 -6.586 -0.989 1.00 53.23 C ATOM 0 H LEU A 64 3.922 -11.266 0.347 1.00 51.45 H new ATOM 0 HA LEU A 64 5.070 -9.251 2.025 1.00 13.31 H new ATOM 0 HB2 LEU A 64 4.779 -9.054 -0.436 1.00 15.15 H new ATOM 0 HB3 LEU A 64 3.038 -9.091 -0.236 1.00 15.15 H new ATOM 0 HG LEU A 64 3.124 -6.967 1.029 1.00 34.14 H new ATOM 0 HD11 LEU A 64 5.206 -5.647 1.099 1.00 0.42 H new ATOM 0 HD12 LEU A 64 5.355 -7.171 2.006 1.00 0.42 H new ATOM 0 HD13 LEU A 64 6.094 -7.019 0.394 1.00 0.42 H new ATOM 0 HD21 LEU A 64 3.719 -5.502 -0.875 1.00 53.23 H new ATOM 0 HD22 LEU A 64 4.533 -6.872 -1.666 1.00 53.23 H new ATOM 0 HD23 LEU A 64 2.774 -6.916 -1.399 1.00 53.23 H new ATOM 1066 N ASP A 65 3.330 -8.724 3.700 1.00 52.02 N ATOM 1067 CA ASP A 65 2.336 -8.405 4.725 1.00 43.32 C ATOM 1068 C ASP A 65 1.480 -7.189 4.319 1.00 1.21 C ATOM 1069 O ASP A 65 1.738 -6.064 4.748 1.00 45.42 O ATOM 1070 CB ASP A 65 3.037 -8.140 6.063 1.00 70.20 C ATOM 1071 CG ASP A 65 4.120 -9.161 6.360 1.00 41.21 C ATOM 1072 OD1 ASP A 65 5.271 -8.949 5.922 1.00 4.15 O ATOM 1073 OD2 ASP A 65 3.823 -10.173 7.018 1.00 12.12 O ATOM 0 H ASP A 65 4.293 -8.533 3.976 1.00 52.02 H new ATOM 0 HA ASP A 65 1.668 -9.260 4.830 1.00 43.32 H new ATOM 0 HB2 ASP A 65 3.476 -7.142 6.049 1.00 70.20 H new ATOM 0 HB3 ASP A 65 2.299 -8.153 6.865 1.00 70.20 H new ATOM 1078 N LEU A 66 0.465 -7.429 3.484 1.00 12.42 N ATOM 1079 CA LEU A 66 -0.413 -6.361 2.971 1.00 51.32 C ATOM 1080 C LEU A 66 -0.949 -5.452 4.092 1.00 72.04 C ATOM 1081 O LEU A 66 -0.944 -4.228 3.963 1.00 42.01 O ATOM 1082 CB LEU A 66 -1.586 -6.974 2.191 1.00 3.32 C ATOM 1083 CG LEU A 66 -1.196 -7.801 0.953 1.00 63.31 C ATOM 1084 CD1 LEU A 66 -2.437 -8.380 0.276 1.00 73.14 C ATOM 1085 CD2 LEU A 66 -0.386 -6.957 -0.032 1.00 52.31 C ATOM 0 H LEU A 66 0.226 -8.360 3.144 1.00 12.42 H new ATOM 0 HA LEU A 66 0.189 -5.740 2.308 1.00 51.32 H new ATOM 0 HB2 LEU A 66 -2.156 -7.611 2.867 1.00 3.32 H new ATOM 0 HB3 LEU A 66 -2.250 -6.169 1.875 1.00 3.32 H new ATOM 0 HG LEU A 66 -0.570 -8.630 1.283 1.00 63.31 H new ATOM 0 HD11 LEU A 66 -2.138 -8.961 -0.597 1.00 73.14 H new ATOM 0 HD12 LEU A 66 -2.966 -9.025 0.977 1.00 73.14 H new ATOM 0 HD13 LEU A 66 -3.093 -7.568 -0.036 1.00 73.14 H new ATOM 0 HD21 LEU A 66 -0.122 -7.563 -0.899 1.00 52.31 H new ATOM 0 HD22 LEU A 66 -0.981 -6.103 -0.354 1.00 52.31 H new ATOM 0 HD23 LEU A 66 0.523 -6.603 0.454 1.00 52.31 H new ATOM 1097 N PHE A 67 -1.405 -6.057 5.189 1.00 53.42 N ATOM 1098 CA PHE A 67 -1.903 -5.295 6.343 1.00 41.42 C ATOM 1099 C PHE A 67 -0.842 -4.310 6.862 1.00 24.42 C ATOM 1100 O PHE A 67 -1.124 -3.131 7.069 1.00 50.11 O ATOM 1101 CB PHE A 67 -2.331 -6.247 7.470 1.00 53.22 C ATOM 1102 CG PHE A 67 -2.803 -5.540 8.725 1.00 62.14 C ATOM 1103 CD1 PHE A 67 -4.058 -4.947 8.773 1.00 30.44 C ATOM 1104 CD2 PHE A 67 -1.994 -5.471 9.852 1.00 64.24 C ATOM 1105 CE1 PHE A 67 -4.494 -4.303 9.916 1.00 51.23 C ATOM 1106 CE2 PHE A 67 -2.427 -4.828 10.996 1.00 1.33 C ATOM 1107 CZ PHE A 67 -3.678 -4.244 11.029 1.00 11.54 C ATOM 0 H PHE A 67 -1.441 -7.070 5.306 1.00 53.42 H new ATOM 0 HA PHE A 67 -2.769 -4.721 6.013 1.00 41.42 H new ATOM 0 HB2 PHE A 67 -3.131 -6.890 7.104 1.00 53.22 H new ATOM 0 HB3 PHE A 67 -1.492 -6.895 7.723 1.00 53.22 H new ATOM 0 HD1 PHE A 67 -4.701 -4.990 7.907 1.00 30.44 H new ATOM 0 HD2 PHE A 67 -1.014 -5.925 9.834 1.00 64.24 H new ATOM 0 HE1 PHE A 67 -5.472 -3.846 9.939 1.00 51.23 H new ATOM 0 HE2 PHE A 67 -1.787 -4.782 11.865 1.00 1.33 H new ATOM 0 HZ PHE A 67 -4.018 -3.742 11.923 1.00 11.54 H new ATOM 1117 N MET A 68 0.383 -4.799 7.054 1.00 34.54 N ATOM 1118 CA MET A 68 1.473 -3.963 7.569 1.00 71.45 C ATOM 1119 C MET A 68 1.863 -2.884 6.550 1.00 40.31 C ATOM 1120 O MET A 68 2.103 -1.734 6.910 1.00 33.33 O ATOM 1121 CB MET A 68 2.697 -4.819 7.919 1.00 51.00 C ATOM 1122 CG MET A 68 2.390 -5.991 8.843 1.00 34.21 C ATOM 1123 SD MET A 68 1.524 -5.497 10.346 1.00 73.15 S ATOM 1124 CE MET A 68 2.723 -4.393 11.099 1.00 61.35 C ATOM 0 H MET A 68 0.647 -5.765 6.862 1.00 34.54 H new ATOM 0 HA MET A 68 1.117 -3.474 8.476 1.00 71.45 H new ATOM 0 HB2 MET A 68 3.136 -5.201 6.997 1.00 51.00 H new ATOM 0 HB3 MET A 68 3.448 -4.185 8.390 1.00 51.00 H new ATOM 0 HG2 MET A 68 1.785 -6.721 8.305 1.00 34.21 H new ATOM 0 HG3 MET A 68 3.322 -6.487 9.114 1.00 34.21 H new ATOM 0 HE1 MET A 68 2.416 -4.164 12.119 1.00 61.35 H new ATOM 0 HE2 MET A 68 3.701 -4.874 11.114 1.00 61.35 H new ATOM 0 HE3 MET A 68 2.781 -3.470 10.522 1.00 61.35 H new ATOM 1134 N LEU A 69 1.914 -3.271 5.275 1.00 61.14 N ATOM 1135 CA LEU A 69 2.209 -2.336 4.184 1.00 1.24 C ATOM 1136 C LEU A 69 1.235 -1.145 4.209 1.00 52.23 C ATOM 1137 O LEU A 69 1.645 0.011 4.091 1.00 10.53 O ATOM 1138 CB LEU A 69 2.123 -3.067 2.833 1.00 2.23 C ATOM 1139 CG LEU A 69 2.601 -2.268 1.606 1.00 11.14 C ATOM 1140 CD1 LEU A 69 4.085 -1.936 1.720 1.00 41.00 C ATOM 1141 CD2 LEU A 69 2.322 -3.042 0.318 1.00 45.23 C ATOM 0 H LEU A 69 1.754 -4.231 4.969 1.00 61.14 H new ATOM 0 HA LEU A 69 3.220 -1.951 4.318 1.00 1.24 H new ATOM 0 HB2 LEU A 69 2.711 -3.982 2.899 1.00 2.23 H new ATOM 0 HB3 LEU A 69 1.088 -3.365 2.668 1.00 2.23 H new ATOM 0 HG LEU A 69 2.044 -1.332 1.573 1.00 11.14 H new ATOM 0 HD11 LEU A 69 4.400 -1.372 0.842 1.00 41.00 H new ATOM 0 HD12 LEU A 69 4.257 -1.339 2.616 1.00 41.00 H new ATOM 0 HD13 LEU A 69 4.661 -2.859 1.783 1.00 41.00 H new ATOM 0 HD21 LEU A 69 2.667 -2.461 -0.537 1.00 45.23 H new ATOM 0 HD22 LEU A 69 2.849 -3.996 0.345 1.00 45.23 H new ATOM 0 HD23 LEU A 69 1.251 -3.222 0.226 1.00 45.23 H new ATOM 1153 N TYR A 70 -0.055 -1.441 4.380 1.00 74.32 N ATOM 1154 CA TYR A 70 -1.086 -0.405 4.493 1.00 50.55 C ATOM 1155 C TYR A 70 -0.849 0.494 5.718 1.00 31.50 C ATOM 1156 O TYR A 70 -0.825 1.721 5.603 1.00 1.41 O ATOM 1157 CB TYR A 70 -2.475 -1.053 4.576 1.00 54.33 C ATOM 1158 CG TYR A 70 -3.618 -0.060 4.733 1.00 20.32 C ATOM 1159 CD1 TYR A 70 -4.178 0.574 3.627 1.00 4.43 C ATOM 1160 CD2 TYR A 70 -4.140 0.238 5.990 1.00 41.42 C ATOM 1161 CE1 TYR A 70 -5.217 1.475 3.770 1.00 52.23 C ATOM 1162 CE2 TYR A 70 -5.179 1.135 6.139 1.00 63.22 C ATOM 1163 CZ TYR A 70 -5.714 1.750 5.029 1.00 63.51 C ATOM 1164 OH TYR A 70 -6.745 2.652 5.182 1.00 62.55 O ATOM 0 H TYR A 70 -0.413 -2.394 4.444 1.00 74.32 H new ATOM 0 HA TYR A 70 -1.031 0.221 3.603 1.00 50.55 H new ATOM 0 HB2 TYR A 70 -2.643 -1.643 3.675 1.00 54.33 H new ATOM 0 HB3 TYR A 70 -2.491 -1.745 5.418 1.00 54.33 H new ATOM 0 HD1 TYR A 70 -3.794 0.358 2.641 1.00 4.43 H new ATOM 0 HD2 TYR A 70 -3.724 -0.241 6.864 1.00 41.42 H new ATOM 0 HE1 TYR A 70 -5.638 1.961 2.902 1.00 52.23 H new ATOM 0 HE2 TYR A 70 -5.570 1.353 7.122 1.00 63.22 H new ATOM 0 HH TYR A 70 -7.564 2.283 4.790 1.00 62.55 H new ATOM 1174 N VAL A 71 -0.681 -0.126 6.887 1.00 24.34 N ATOM 1175 CA VAL A 71 -0.457 0.611 8.138 1.00 13.13 C ATOM 1176 C VAL A 71 0.738 1.577 8.031 1.00 64.41 C ATOM 1177 O VAL A 71 0.622 2.759 8.363 1.00 12.31 O ATOM 1178 CB VAL A 71 -0.233 -0.358 9.332 1.00 25.24 C ATOM 1179 CG1 VAL A 71 0.109 0.410 10.611 1.00 31.11 C ATOM 1180 CG2 VAL A 71 -1.465 -1.236 9.549 1.00 5.12 C ATOM 0 H VAL A 71 -0.695 -1.140 6.997 1.00 24.34 H new ATOM 0 HA VAL A 71 -1.359 1.196 8.317 1.00 13.13 H new ATOM 0 HB VAL A 71 0.614 -1.000 9.088 1.00 25.24 H new ATOM 0 HG11 VAL A 71 0.260 -0.294 11.429 1.00 31.11 H new ATOM 0 HG12 VAL A 71 1.021 0.987 10.456 1.00 31.11 H new ATOM 0 HG13 VAL A 71 -0.710 1.085 10.860 1.00 31.11 H new ATOM 0 HG21 VAL A 71 -1.290 -1.908 10.389 1.00 5.12 H new ATOM 0 HG22 VAL A 71 -2.328 -0.605 9.763 1.00 5.12 H new ATOM 0 HG23 VAL A 71 -1.657 -1.822 8.650 1.00 5.12 H new ATOM 1190 N LEU A 72 1.873 1.074 7.546 1.00 74.40 N ATOM 1191 CA LEU A 72 3.082 1.893 7.395 1.00 42.30 C ATOM 1192 C LEU A 72 2.881 3.045 6.392 1.00 20.32 C ATOM 1193 O LEU A 72 3.094 4.208 6.724 1.00 2.41 O ATOM 1194 CB LEU A 72 4.284 1.020 6.979 1.00 65.22 C ATOM 1195 CG LEU A 72 5.041 0.329 8.133 1.00 63.33 C ATOM 1196 CD1 LEU A 72 5.672 1.366 9.060 1.00 51.55 C ATOM 1197 CD2 LEU A 72 4.122 -0.607 8.917 1.00 61.45 C ATOM 0 H LEU A 72 1.984 0.104 7.250 1.00 74.40 H new ATOM 0 HA LEU A 72 3.290 2.340 8.367 1.00 42.30 H new ATOM 0 HB2 LEU A 72 3.931 0.253 6.290 1.00 65.22 H new ATOM 0 HB3 LEU A 72 4.989 1.643 6.428 1.00 65.22 H new ATOM 0 HG LEU A 72 5.837 -0.274 7.696 1.00 63.33 H new ATOM 0 HD11 LEU A 72 6.201 0.859 9.867 1.00 51.55 H new ATOM 0 HD12 LEU A 72 6.374 1.980 8.495 1.00 51.55 H new ATOM 0 HD13 LEU A 72 4.892 2.001 9.480 1.00 51.55 H new ATOM 0 HD21 LEU A 72 4.685 -1.078 9.723 1.00 61.45 H new ATOM 0 HD22 LEU A 72 3.295 -0.036 9.338 1.00 61.45 H new ATOM 0 HD23 LEU A 72 3.730 -1.375 8.250 1.00 61.45 H new ATOM 1209 N VAL A 73 2.462 2.728 5.171 1.00 73.41 N ATOM 1210 CA VAL A 73 2.291 3.753 4.130 1.00 74.50 C ATOM 1211 C VAL A 73 1.295 4.852 4.555 1.00 3.32 C ATOM 1212 O VAL A 73 1.514 6.040 4.293 1.00 45.23 O ATOM 1213 CB VAL A 73 1.839 3.120 2.789 1.00 41.40 C ATOM 1214 CG1 VAL A 73 1.540 4.192 1.744 1.00 15.32 C ATOM 1215 CG2 VAL A 73 2.902 2.148 2.271 1.00 55.02 C ATOM 0 H VAL A 73 2.234 1.779 4.873 1.00 73.41 H new ATOM 0 HA VAL A 73 3.266 4.220 3.990 1.00 74.50 H new ATOM 0 HB VAL A 73 0.918 2.566 2.973 1.00 41.40 H new ATOM 0 HG11 VAL A 73 1.226 3.717 0.815 1.00 15.32 H new ATOM 0 HG12 VAL A 73 0.744 4.842 2.107 1.00 15.32 H new ATOM 0 HG13 VAL A 73 2.437 4.784 1.563 1.00 15.32 H new ATOM 0 HG21 VAL A 73 2.569 1.713 1.329 1.00 55.02 H new ATOM 0 HG22 VAL A 73 3.838 2.683 2.112 1.00 55.02 H new ATOM 0 HG23 VAL A 73 3.057 1.355 3.002 1.00 55.02 H new ATOM 1225 N THR A 74 0.215 4.460 5.228 1.00 54.22 N ATOM 1226 CA THR A 74 -0.804 5.424 5.671 1.00 2.24 C ATOM 1227 C THR A 74 -0.301 6.323 6.813 1.00 24.31 C ATOM 1228 O THR A 74 -0.589 7.522 6.833 1.00 44.21 O ATOM 1229 CB THR A 74 -2.114 4.733 6.116 1.00 51.33 C ATOM 1230 OG1 THR A 74 -1.847 3.765 7.141 1.00 12.24 O ATOM 1231 CG2 THR A 74 -2.804 4.058 4.937 1.00 71.21 C ATOM 0 H THR A 74 0.019 3.491 5.479 1.00 54.22 H new ATOM 0 HA THR A 74 -1.011 6.044 4.798 1.00 2.24 H new ATOM 0 HB THR A 74 -2.778 5.501 6.513 1.00 51.33 H new ATOM 0 HG1 THR A 74 -1.469 2.956 6.737 1.00 12.24 H new ATOM 0 HG21 THR A 74 -3.722 3.580 5.278 1.00 71.21 H new ATOM 0 HG22 THR A 74 -3.043 4.804 4.179 1.00 71.21 H new ATOM 0 HG23 THR A 74 -2.141 3.306 4.509 1.00 71.21 H new ATOM 1239 N GLU A 75 0.446 5.755 7.765 1.00 52.40 N ATOM 1240 CA GLU A 75 0.995 6.553 8.876 1.00 31.41 C ATOM 1241 C GLU A 75 2.093 7.515 8.391 1.00 12.40 C ATOM 1242 O GLU A 75 2.333 8.557 9.001 1.00 72.12 O ATOM 1243 CB GLU A 75 1.546 5.655 9.998 1.00 61.03 C ATOM 1244 CG GLU A 75 2.761 4.825 9.600 1.00 10.50 C ATOM 1245 CD GLU A 75 3.389 4.089 10.773 1.00 52.21 C ATOM 1246 OE1 GLU A 75 2.794 3.107 11.259 1.00 52.54 O ATOM 1247 OE2 GLU A 75 4.478 4.502 11.229 1.00 1.01 O ATOM 0 H GLU A 75 0.684 4.764 7.794 1.00 52.40 H new ATOM 0 HA GLU A 75 0.170 7.142 9.277 1.00 31.41 H new ATOM 0 HB2 GLU A 75 1.812 6.281 10.850 1.00 61.03 H new ATOM 0 HB3 GLU A 75 0.755 4.983 10.330 1.00 61.03 H new ATOM 0 HG2 GLU A 75 2.466 4.101 8.840 1.00 10.50 H new ATOM 0 HG3 GLU A 75 3.507 5.478 9.146 1.00 10.50 H new ATOM 1254 N LYS A 76 2.757 7.163 7.287 1.00 74.55 N ATOM 1255 CA LYS A 76 3.797 8.021 6.706 1.00 32.02 C ATOM 1256 C LYS A 76 3.196 9.182 5.890 1.00 54.45 C ATOM 1257 O LYS A 76 3.918 10.090 5.479 1.00 12.01 O ATOM 1258 CB LYS A 76 4.749 7.200 5.821 1.00 64.44 C ATOM 1259 CG LYS A 76 5.458 6.062 6.551 1.00 54.31 C ATOM 1260 CD LYS A 76 6.288 6.554 7.737 1.00 44.42 C ATOM 1261 CE LYS A 76 6.936 5.391 8.483 1.00 51.11 C ATOM 1262 NZ LYS A 76 7.670 5.836 9.699 1.00 70.11 N ATOM 0 H LYS A 76 2.595 6.294 6.778 1.00 74.55 H new ATOM 0 HA LYS A 76 4.358 8.449 7.537 1.00 32.02 H new ATOM 0 HB2 LYS A 76 4.184 6.785 4.987 1.00 64.44 H new ATOM 0 HB3 LYS A 76 5.499 7.868 5.397 1.00 64.44 H new ATOM 0 HG2 LYS A 76 4.718 5.344 6.903 1.00 54.31 H new ATOM 0 HG3 LYS A 76 6.107 5.535 5.852 1.00 54.31 H new ATOM 0 HD2 LYS A 76 7.060 7.237 7.384 1.00 44.42 H new ATOM 0 HD3 LYS A 76 5.652 7.117 8.420 1.00 44.42 H new ATOM 0 HE2 LYS A 76 6.168 4.673 8.768 1.00 51.11 H new ATOM 0 HE3 LYS A 76 7.625 4.873 7.815 1.00 51.11 H new ATOM 0 HZ1 LYS A 76 8.662 5.528 9.638 1.00 70.11 H new ATOM 0 HZ2 LYS A 76 7.633 6.873 9.767 1.00 70.11 H new ATOM 0 HZ3 LYS A 76 7.229 5.418 10.543 1.00 70.11 H new ATOM 1276 N GLY A 77 1.878 9.144 5.649 1.00 62.13 N ATOM 1277 CA GLY A 77 1.207 10.256 4.966 1.00 74.43 C ATOM 1278 C GLY A 77 0.388 9.852 3.735 1.00 55.14 C ATOM 1279 O GLY A 77 -0.356 10.672 3.196 1.00 61.40 O ATOM 0 H GLY A 77 1.266 8.371 5.911 1.00 62.13 H new ATOM 0 HA2 GLY A 77 0.548 10.756 5.676 1.00 74.43 H new ATOM 0 HA3 GLY A 77 1.959 10.984 4.662 1.00 74.43 H new ATOM 1283 N GLY A 78 0.527 8.606 3.282 1.00 33.22 N ATOM 1284 CA GLY A 78 -0.213 8.141 2.103 1.00 61.02 C ATOM 1285 C GLY A 78 0.697 7.632 0.987 1.00 23.20 C ATOM 1286 O GLY A 78 1.903 7.878 1.004 1.00 0.33 O ATOM 0 H GLY A 78 1.136 7.906 3.705 1.00 33.22 H new ATOM 0 HA2 GLY A 78 -0.894 7.344 2.400 1.00 61.02 H new ATOM 0 HA3 GLY A 78 -0.825 8.958 1.720 1.00 61.02 H new ATOM 1290 N LEU A 79 0.117 6.933 0.007 1.00 35.43 N ATOM 1291 CA LEU A 79 0.895 6.331 -1.090 1.00 21.41 C ATOM 1292 C LEU A 79 1.803 7.355 -1.795 1.00 15.31 C ATOM 1293 O LEU A 79 3.023 7.185 -1.850 1.00 35.01 O ATOM 1294 CB LEU A 79 -0.042 5.668 -2.113 1.00 22.54 C ATOM 1295 CG LEU A 79 0.656 5.041 -3.340 1.00 34.40 C ATOM 1296 CD1 LEU A 79 1.681 3.990 -2.915 1.00 65.33 C ATOM 1297 CD2 LEU A 79 -0.368 4.433 -4.297 1.00 72.32 C ATOM 0 H LEU A 79 -0.888 6.768 -0.053 1.00 35.43 H new ATOM 0 HA LEU A 79 1.540 5.574 -0.644 1.00 21.41 H new ATOM 0 HB2 LEU A 79 -0.615 4.892 -1.606 1.00 22.54 H new ATOM 0 HB3 LEU A 79 -0.756 6.414 -2.464 1.00 22.54 H new ATOM 0 HG LEU A 79 1.185 5.838 -3.863 1.00 34.40 H new ATOM 0 HD11 LEU A 79 2.156 3.566 -3.800 1.00 65.33 H new ATOM 0 HD12 LEU A 79 2.439 4.455 -2.284 1.00 65.33 H new ATOM 0 HD13 LEU A 79 1.181 3.198 -2.358 1.00 65.33 H new ATOM 0 HD21 LEU A 79 0.148 3.998 -5.153 1.00 72.32 H new ATOM 0 HD22 LEU A 79 -0.933 3.657 -3.780 1.00 72.32 H new ATOM 0 HD23 LEU A 79 -1.051 5.210 -4.641 1.00 72.32 H new ATOM 1309 N VAL A 80 1.209 8.419 -2.326 1.00 1.20 N ATOM 1310 CA VAL A 80 1.968 9.444 -3.050 1.00 63.53 C ATOM 1311 C VAL A 80 2.950 10.176 -2.123 1.00 73.11 C ATOM 1312 O VAL A 80 4.083 10.464 -2.512 1.00 74.24 O ATOM 1313 CB VAL A 80 1.028 10.468 -3.729 1.00 25.55 C ATOM 1314 CG1 VAL A 80 1.824 11.574 -4.417 1.00 72.24 C ATOM 1315 CG2 VAL A 80 0.112 9.768 -4.729 1.00 71.03 C ATOM 0 H VAL A 80 0.206 8.598 -2.271 1.00 1.20 H new ATOM 0 HA VAL A 80 2.538 8.928 -3.823 1.00 63.53 H new ATOM 0 HB VAL A 80 0.414 10.928 -2.955 1.00 25.55 H new ATOM 0 HG11 VAL A 80 1.137 12.279 -4.885 1.00 72.24 H new ATOM 0 HG12 VAL A 80 2.433 12.096 -3.679 1.00 72.24 H new ATOM 0 HG13 VAL A 80 2.471 11.137 -5.178 1.00 72.24 H new ATOM 0 HG21 VAL A 80 -0.543 10.502 -5.198 1.00 71.03 H new ATOM 0 HG22 VAL A 80 0.715 9.278 -5.494 1.00 71.03 H new ATOM 0 HG23 VAL A 80 -0.491 9.023 -4.210 1.00 71.03 H new ATOM 1325 N GLU A 81 2.515 10.456 -0.897 1.00 50.24 N ATOM 1326 CA GLU A 81 3.378 11.093 0.103 1.00 21.42 C ATOM 1327 C GLU A 81 4.670 10.281 0.297 1.00 1.45 C ATOM 1328 O GLU A 81 5.768 10.838 0.362 1.00 22.42 O ATOM 1329 CB GLU A 81 2.631 11.221 1.437 1.00 30.44 C ATOM 1330 CG GLU A 81 3.356 12.064 2.484 1.00 50.20 C ATOM 1331 CD GLU A 81 3.443 13.532 2.100 1.00 42.02 C ATOM 1332 OE1 GLU A 81 2.408 14.229 2.172 1.00 54.24 O ATOM 1333 OE2 GLU A 81 4.541 13.996 1.716 1.00 61.25 O ATOM 0 H GLU A 81 1.571 10.253 -0.569 1.00 50.24 H new ATOM 0 HA GLU A 81 3.645 12.088 -0.252 1.00 21.42 H new ATOM 0 HB2 GLU A 81 1.650 11.659 1.250 1.00 30.44 H new ATOM 0 HB3 GLU A 81 2.463 10.224 1.843 1.00 30.44 H new ATOM 0 HG2 GLU A 81 2.839 11.973 3.439 1.00 50.20 H new ATOM 0 HG3 GLU A 81 4.362 11.670 2.628 1.00 50.20 H new ATOM 1340 N VAL A 82 4.527 8.955 0.363 1.00 54.14 N ATOM 1341 CA VAL A 82 5.678 8.054 0.472 1.00 14.54 C ATOM 1342 C VAL A 82 6.560 8.115 -0.787 1.00 41.33 C ATOM 1343 O VAL A 82 7.791 8.169 -0.694 1.00 1.25 O ATOM 1344 CB VAL A 82 5.227 6.589 0.729 1.00 14.11 C ATOM 1345 CG1 VAL A 82 6.424 5.637 0.744 1.00 62.05 C ATOM 1346 CG2 VAL A 82 4.454 6.489 2.042 1.00 14.23 C ATOM 0 H VAL A 82 3.624 8.481 0.343 1.00 54.14 H new ATOM 0 HA VAL A 82 6.267 8.392 1.325 1.00 14.54 H new ATOM 0 HB VAL A 82 4.569 6.293 -0.089 1.00 14.11 H new ATOM 0 HG11 VAL A 82 6.078 4.620 0.926 1.00 62.05 H new ATOM 0 HG12 VAL A 82 6.935 5.680 -0.218 1.00 62.05 H new ATOM 0 HG13 VAL A 82 7.114 5.932 1.535 1.00 62.05 H new ATOM 0 HG21 VAL A 82 4.146 5.456 2.205 1.00 14.23 H new ATOM 0 HG22 VAL A 82 5.091 6.812 2.865 1.00 14.23 H new ATOM 0 HG23 VAL A 82 3.572 7.127 1.994 1.00 14.23 H new ATOM 1356 N ILE A 83 5.923 8.122 -1.960 1.00 14.34 N ATOM 1357 CA ILE A 83 6.643 8.210 -3.239 1.00 65.33 C ATOM 1358 C ILE A 83 7.428 9.530 -3.360 1.00 33.14 C ATOM 1359 O ILE A 83 8.519 9.564 -3.929 1.00 23.12 O ATOM 1360 CB ILE A 83 5.671 8.084 -4.445 1.00 15.14 C ATOM 1361 CG1 ILE A 83 4.907 6.752 -4.377 1.00 21.44 C ATOM 1362 CG2 ILE A 83 6.430 8.204 -5.769 1.00 43.43 C ATOM 1363 CD1 ILE A 83 3.894 6.564 -5.488 1.00 31.23 C ATOM 0 H ILE A 83 4.909 8.068 -2.054 1.00 14.34 H new ATOM 0 HA ILE A 83 7.347 7.378 -3.257 1.00 65.33 H new ATOM 0 HB ILE A 83 4.950 8.900 -4.394 1.00 15.14 H new ATOM 0 HG12 ILE A 83 5.624 5.932 -4.411 1.00 21.44 H new ATOM 0 HG13 ILE A 83 4.394 6.688 -3.417 1.00 21.44 H new ATOM 0 HG21 ILE A 83 5.730 8.113 -6.599 1.00 43.43 H new ATOM 0 HG22 ILE A 83 6.926 9.173 -5.817 1.00 43.43 H new ATOM 0 HG23 ILE A 83 7.175 7.411 -5.834 1.00 43.43 H new ATOM 0 HD11 ILE A 83 3.398 5.601 -5.369 1.00 31.23 H new ATOM 0 HD12 ILE A 83 3.153 7.362 -5.443 1.00 31.23 H new ATOM 0 HD13 ILE A 83 4.402 6.594 -6.452 1.00 31.23 H new ATOM 1375 N ASN A 84 6.866 10.607 -2.818 1.00 21.24 N ATOM 1376 CA ASN A 84 7.519 11.922 -2.844 1.00 14.25 C ATOM 1377 C ASN A 84 8.643 12.024 -1.795 1.00 43.14 C ATOM 1378 O ASN A 84 9.739 12.497 -2.095 1.00 2.03 O ATOM 1379 CB ASN A 84 6.485 13.035 -2.622 1.00 34.22 C ATOM 1380 CG ASN A 84 5.497 13.163 -3.772 1.00 51.14 C ATOM 1381 OD1 ASN A 84 5.825 12.905 -4.927 1.00 10.04 O ATOM 1382 ND2 ASN A 84 4.283 13.578 -3.471 1.00 74.21 N ATOM 0 H ASN A 84 5.958 10.600 -2.353 1.00 21.24 H new ATOM 0 HA ASN A 84 7.972 12.044 -3.828 1.00 14.25 H new ATOM 0 HB2 ASN A 84 5.938 12.837 -1.700 1.00 34.22 H new ATOM 0 HB3 ASN A 84 7.004 13.984 -2.488 1.00 34.22 H new ATOM 0 HD21 ASN A 84 3.586 13.693 -4.207 1.00 74.21 H new ATOM 0 HD22 ASN A 84 4.040 13.784 -2.502 1.00 74.21 H new ATOM 1389 N LYS A 85 8.374 11.572 -0.569 1.00 13.23 N ATOM 1390 CA LYS A 85 9.377 11.622 0.508 1.00 0.24 C ATOM 1391 C LYS A 85 10.433 10.509 0.352 1.00 60.01 C ATOM 1392 O LYS A 85 11.450 10.506 1.049 1.00 53.52 O ATOM 1393 CB LYS A 85 8.700 11.526 1.884 1.00 73.35 C ATOM 1394 CG LYS A 85 7.663 12.618 2.134 1.00 53.40 C ATOM 1395 CD LYS A 85 7.129 12.603 3.567 1.00 11.20 C ATOM 1396 CE LYS A 85 8.198 13.002 4.580 1.00 2.25 C ATOM 1397 NZ LYS A 85 7.633 13.167 5.945 1.00 62.10 N ATOM 0 H LYS A 85 7.478 11.169 -0.293 1.00 13.23 H new ATOM 0 HA LYS A 85 9.889 12.581 0.434 1.00 0.24 H new ATOM 0 HB2 LYS A 85 8.219 10.552 1.975 1.00 73.35 H new ATOM 0 HB3 LYS A 85 9.464 11.578 2.660 1.00 73.35 H new ATOM 0 HG2 LYS A 85 8.108 13.591 1.926 1.00 53.40 H new ATOM 0 HG3 LYS A 85 6.833 12.492 1.439 1.00 53.40 H new ATOM 0 HD2 LYS A 85 6.283 13.285 3.646 1.00 11.20 H new ATOM 0 HD3 LYS A 85 6.758 11.606 3.805 1.00 11.20 H new ATOM 0 HE2 LYS A 85 8.980 12.243 4.600 1.00 2.25 H new ATOM 0 HE3 LYS A 85 8.666 13.935 4.266 1.00 2.25 H new ATOM 0 HZ1 LYS A 85 8.391 13.438 6.604 1.00 62.10 H new ATOM 0 HZ2 LYS A 85 6.904 13.909 5.932 1.00 62.10 H new ATOM 0 HZ3 LYS A 85 7.209 12.270 6.256 1.00 62.10 H new ATOM 1411 N LYS A 86 10.171 9.558 -0.553 1.00 73.50 N ATOM 1412 CA LYS A 86 11.140 8.502 -0.913 1.00 23.44 C ATOM 1413 C LYS A 86 11.457 7.555 0.261 1.00 25.51 C ATOM 1414 O LYS A 86 12.379 6.740 0.174 1.00 12.42 O ATOM 1415 CB LYS A 86 12.453 9.129 -1.416 1.00 44.54 C ATOM 1416 CG LYS A 86 12.274 10.166 -2.520 1.00 30.22 C ATOM 1417 CD LYS A 86 11.667 9.571 -3.785 1.00 1.35 C ATOM 1418 CE LYS A 86 11.530 10.622 -4.880 1.00 22.44 C ATOM 1419 NZ LYS A 86 12.844 11.219 -5.240 1.00 72.41 N ATOM 0 H LYS A 86 9.287 9.494 -1.057 1.00 73.50 H new ATOM 0 HA LYS A 86 10.672 7.912 -1.701 1.00 23.44 H new ATOM 0 HB2 LYS A 86 12.964 9.597 -0.574 1.00 44.54 H new ATOM 0 HB3 LYS A 86 13.104 8.335 -1.782 1.00 44.54 H new ATOM 0 HG2 LYS A 86 11.635 10.971 -2.158 1.00 30.22 H new ATOM 0 HG3 LYS A 86 13.241 10.609 -2.758 1.00 30.22 H new ATOM 0 HD2 LYS A 86 12.292 8.752 -4.140 1.00 1.35 H new ATOM 0 HD3 LYS A 86 10.688 9.150 -3.558 1.00 1.35 H new ATOM 0 HE2 LYS A 86 11.082 10.169 -5.764 1.00 22.44 H new ATOM 0 HE3 LYS A 86 10.853 11.408 -4.547 1.00 22.44 H new ATOM 0 HZ1 LYS A 86 12.922 11.287 -6.275 1.00 72.41 H new ATOM 0 HZ2 LYS A 86 12.920 12.169 -4.823 1.00 72.41 H new ATOM 0 HZ3 LYS A 86 13.610 10.619 -4.874 1.00 72.41 H new ATOM 1433 N LEU A 87 10.679 7.632 1.339 1.00 35.20 N ATOM 1434 CA LEU A 87 11.003 6.896 2.572 1.00 63.55 C ATOM 1435 C LEU A 87 10.556 5.418 2.521 1.00 64.33 C ATOM 1436 O LEU A 87 10.186 4.833 3.539 1.00 71.55 O ATOM 1437 CB LEU A 87 10.418 7.620 3.808 1.00 53.34 C ATOM 1438 CG LEU A 87 8.903 7.477 4.068 1.00 11.15 C ATOM 1439 CD1 LEU A 87 8.485 8.316 5.274 1.00 40.43 C ATOM 1440 CD2 LEU A 87 8.086 7.874 2.852 1.00 54.25 C ATOM 0 H LEU A 87 9.826 8.189 1.390 1.00 35.20 H new ATOM 0 HA LEU A 87 12.089 6.882 2.660 1.00 63.55 H new ATOM 0 HB2 LEU A 87 10.946 7.259 4.690 1.00 53.34 H new ATOM 0 HB3 LEU A 87 10.644 8.682 3.714 1.00 53.34 H new ATOM 0 HG LEU A 87 8.706 6.426 4.277 1.00 11.15 H new ATOM 0 HD11 LEU A 87 7.414 8.203 5.442 1.00 40.43 H new ATOM 0 HD12 LEU A 87 9.029 7.980 6.157 1.00 40.43 H new ATOM 0 HD13 LEU A 87 8.714 9.365 5.085 1.00 40.43 H new ATOM 0 HD21 LEU A 87 7.025 7.760 3.074 1.00 54.25 H new ATOM 0 HD22 LEU A 87 8.294 8.913 2.597 1.00 54.25 H new ATOM 0 HD23 LEU A 87 8.352 7.234 2.010 1.00 54.25 H new ATOM 1452 N TRP A 88 10.645 4.801 1.337 1.00 63.41 N ATOM 1453 CA TRP A 88 10.402 3.357 1.198 1.00 3.50 C ATOM 1454 C TRP A 88 11.378 2.550 2.078 1.00 73.34 C ATOM 1455 O TRP A 88 11.140 1.380 2.386 1.00 63.24 O ATOM 1456 CB TRP A 88 10.511 2.917 -0.273 1.00 4.33 C ATOM 1457 CG TRP A 88 9.379 3.404 -1.140 1.00 32.01 C ATOM 1458 CD1 TRP A 88 9.434 4.351 -2.128 1.00 60.35 C ATOM 1459 CD2 TRP A 88 8.015 2.961 -1.091 1.00 73.52 C ATOM 1460 NE1 TRP A 88 8.194 4.515 -2.694 1.00 24.52 N ATOM 1461 CE2 TRP A 88 7.306 3.678 -2.074 1.00 12.04 C ATOM 1462 CE3 TRP A 88 7.326 2.025 -0.313 1.00 24.03 C ATOM 1463 CZ2 TRP A 88 5.944 3.490 -2.295 1.00 52.04 C ATOM 1464 CZ3 TRP A 88 5.972 1.842 -0.533 1.00 61.34 C ATOM 1465 CH2 TRP A 88 5.295 2.570 -1.517 1.00 12.21 C ATOM 0 H TRP A 88 10.882 5.274 0.465 1.00 63.41 H new ATOM 0 HA TRP A 88 9.386 3.155 1.538 1.00 3.50 H new ATOM 0 HB2 TRP A 88 11.453 3.282 -0.683 1.00 4.33 H new ATOM 0 HB3 TRP A 88 10.546 1.828 -0.315 1.00 4.33 H new ATOM 0 HD1 TRP A 88 10.323 4.890 -2.419 1.00 60.35 H new ATOM 0 HE1 TRP A 88 7.970 5.157 -3.454 1.00 24.52 H new ATOM 0 HE3 TRP A 88 7.841 1.455 0.446 1.00 24.03 H new ATOM 0 HZ2 TRP A 88 5.418 4.051 -3.054 1.00 52.04 H new ATOM 0 HZ3 TRP A 88 5.429 1.125 0.065 1.00 61.34 H new ATOM 0 HH2 TRP A 88 4.238 2.403 -1.666 1.00 12.21 H new ATOM 1476 N ARG A 89 12.485 3.192 2.466 1.00 74.22 N ATOM 1477 CA ARG A 89 13.395 2.648 3.484 1.00 63.24 C ATOM 1478 C ARG A 89 12.623 2.319 4.773 1.00 45.11 C ATOM 1479 O ARG A 89 12.739 1.226 5.321 1.00 33.01 O ATOM 1480 CB ARG A 89 14.507 3.663 3.800 1.00 73.14 C ATOM 1481 CG ARG A 89 15.344 4.073 2.590 1.00 52.24 C ATOM 1482 CD ARG A 89 16.181 2.914 2.057 1.00 14.05 C ATOM 1483 NE ARG A 89 17.200 2.491 3.019 1.00 32.33 N ATOM 1484 CZ ARG A 89 17.704 1.288 3.079 1.00 3.01 C ATOM 1485 NH1 ARG A 89 17.289 0.358 2.280 1.00 63.32 N ATOM 1486 NH2 ARG A 89 18.619 1.009 3.947 1.00 4.33 N ATOM 0 H ARG A 89 12.775 4.094 2.089 1.00 74.22 H new ATOM 0 HA ARG A 89 13.841 1.734 3.091 1.00 63.24 H new ATOM 0 HB2 ARG A 89 14.056 4.555 4.235 1.00 73.14 H new ATOM 0 HB3 ARG A 89 15.167 3.238 4.557 1.00 73.14 H new ATOM 0 HG2 ARG A 89 14.687 4.439 1.801 1.00 52.24 H new ATOM 0 HG3 ARG A 89 16.001 4.898 2.866 1.00 52.24 H new ATOM 0 HD2 ARG A 89 15.529 2.072 1.824 1.00 14.05 H new ATOM 0 HD3 ARG A 89 16.662 3.212 1.125 1.00 14.05 H new ATOM 0 HE ARG A 89 17.539 3.183 3.688 1.00 32.33 H new ATOM 0 HH11 ARG A 89 16.561 0.562 1.595 1.00 63.32 H new ATOM 0 HH12 ARG A 89 17.690 -0.578 2.336 1.00 63.32 H new ATOM 0 HH21 ARG A 89 18.950 1.730 4.589 1.00 4.33 H new ATOM 0 HH22 ARG A 89 19.010 0.068 3.991 1.00 4.33 H new ATOM 1500 N GLU A 90 11.825 3.283 5.233 1.00 33.32 N ATOM 1501 CA GLU A 90 10.964 3.105 6.410 1.00 22.43 C ATOM 1502 C GLU A 90 9.986 1.939 6.223 1.00 1.10 C ATOM 1503 O GLU A 90 9.734 1.170 7.151 1.00 14.12 O ATOM 1504 CB GLU A 90 10.177 4.401 6.671 1.00 3.23 C ATOM 1505 CG GLU A 90 11.003 5.516 7.303 1.00 63.31 C ATOM 1506 CD GLU A 90 11.290 5.253 8.771 1.00 34.22 C ATOM 1507 OE1 GLU A 90 10.401 5.517 9.608 1.00 74.01 O ATOM 1508 OE2 GLU A 90 12.393 4.762 9.099 1.00 73.20 O ATOM 0 H GLU A 90 11.755 4.206 4.805 1.00 33.32 H new ATOM 0 HA GLU A 90 11.602 2.875 7.263 1.00 22.43 H new ATOM 0 HB2 GLU A 90 9.765 4.759 5.728 1.00 3.23 H new ATOM 0 HB3 GLU A 90 9.333 4.175 7.322 1.00 3.23 H new ATOM 0 HG2 GLU A 90 11.944 5.620 6.763 1.00 63.31 H new ATOM 0 HG3 GLU A 90 10.471 6.462 7.202 1.00 63.31 H new ATOM 1515 N ILE A 91 9.439 1.814 5.017 1.00 41.22 N ATOM 1516 CA ILE A 91 8.466 0.760 4.718 1.00 60.12 C ATOM 1517 C ILE A 91 9.111 -0.635 4.795 1.00 12.32 C ATOM 1518 O ILE A 91 8.648 -1.502 5.536 1.00 31.43 O ATOM 1519 CB ILE A 91 7.838 0.963 3.316 1.00 45.40 C ATOM 1520 CG1 ILE A 91 7.234 2.377 3.193 1.00 15.44 C ATOM 1521 CG2 ILE A 91 6.780 -0.106 3.041 1.00 0.34 C ATOM 1522 CD1 ILE A 91 6.154 2.686 4.213 1.00 5.10 C ATOM 0 H ILE A 91 9.651 2.427 4.230 1.00 41.22 H new ATOM 0 HA ILE A 91 7.681 0.825 5.471 1.00 60.12 H new ATOM 0 HB ILE A 91 8.624 0.863 2.568 1.00 45.40 H new ATOM 0 HG12 ILE A 91 8.034 3.111 3.294 1.00 15.44 H new ATOM 0 HG13 ILE A 91 6.817 2.496 2.193 1.00 15.44 H new ATOM 0 HG21 ILE A 91 6.350 0.053 2.052 1.00 0.34 H new ATOM 0 HG22 ILE A 91 7.241 -1.093 3.082 1.00 0.34 H new ATOM 0 HG23 ILE A 91 5.993 -0.041 3.793 1.00 0.34 H new ATOM 0 HD11 ILE A 91 5.784 3.699 4.056 1.00 5.10 H new ATOM 0 HD12 ILE A 91 5.333 1.978 4.099 1.00 5.10 H new ATOM 0 HD13 ILE A 91 6.568 2.603 5.218 1.00 5.10 H new ATOM 1534 N THR A 92 10.197 -0.835 4.047 1.00 43.15 N ATOM 1535 CA THR A 92 10.938 -2.109 4.075 1.00 50.43 C ATOM 1536 C THR A 92 11.447 -2.427 5.485 1.00 10.51 C ATOM 1537 O THR A 92 11.284 -3.544 5.981 1.00 24.22 O ATOM 1538 CB THR A 92 12.146 -2.099 3.104 1.00 62.12 C ATOM 1539 OG1 THR A 92 12.922 -0.902 3.284 1.00 24.25 O ATOM 1540 CG2 THR A 92 11.694 -2.214 1.652 1.00 4.24 C ATOM 0 H THR A 92 10.587 -0.137 3.414 1.00 43.15 H new ATOM 0 HA THR A 92 10.233 -2.877 3.757 1.00 50.43 H new ATOM 0 HB THR A 92 12.765 -2.966 3.335 1.00 62.12 H new ATOM 0 HG1 THR A 92 12.446 -0.141 2.890 1.00 24.25 H new ATOM 0 HG21 THR A 92 12.566 -2.204 0.998 1.00 4.24 H new ATOM 0 HG22 THR A 92 11.147 -3.147 1.514 1.00 4.24 H new ATOM 0 HG23 THR A 92 11.045 -1.373 1.405 1.00 4.24 H new ATOM 1548 N LYS A 93 12.058 -1.434 6.126 1.00 52.20 N ATOM 1549 CA LYS A 93 12.567 -1.585 7.491 1.00 4.33 C ATOM 1550 C LYS A 93 11.429 -1.930 8.470 1.00 43.03 C ATOM 1551 O LYS A 93 11.601 -2.738 9.386 1.00 50.31 O ATOM 1552 CB LYS A 93 13.278 -0.295 7.933 1.00 2.01 C ATOM 1553 CG LYS A 93 14.253 -0.494 9.089 1.00 22.13 C ATOM 1554 CD LYS A 93 15.414 -1.402 8.689 1.00 33.53 C ATOM 1555 CE LYS A 93 16.385 -1.613 9.840 1.00 70.55 C ATOM 1556 NZ LYS A 93 15.738 -2.296 10.994 1.00 64.33 N ATOM 0 H LYS A 93 12.214 -0.511 5.722 1.00 52.20 H new ATOM 0 HA LYS A 93 13.282 -2.408 7.501 1.00 4.33 H new ATOM 0 HB2 LYS A 93 13.818 0.121 7.082 1.00 2.01 H new ATOM 0 HB3 LYS A 93 12.528 0.440 8.225 1.00 2.01 H new ATOM 0 HG2 LYS A 93 14.640 0.473 9.411 1.00 22.13 H new ATOM 0 HG3 LYS A 93 13.727 -0.927 9.940 1.00 22.13 H new ATOM 0 HD2 LYS A 93 15.026 -2.366 8.359 1.00 33.53 H new ATOM 0 HD3 LYS A 93 15.943 -0.965 7.842 1.00 33.53 H new ATOM 0 HE2 LYS A 93 17.233 -2.206 9.496 1.00 70.55 H new ATOM 0 HE3 LYS A 93 16.780 -0.650 10.163 1.00 70.55 H new ATOM 0 HZ1 LYS A 93 16.468 -2.618 11.661 1.00 64.33 H new ATOM 0 HZ2 LYS A 93 15.098 -1.633 11.475 1.00 64.33 H new ATOM 0 HZ3 LYS A 93 15.196 -3.115 10.653 1.00 64.33 H new ATOM 1570 N GLY A 94 10.260 -1.326 8.254 1.00 11.55 N ATOM 1571 CA GLY A 94 9.093 -1.610 9.081 1.00 61.42 C ATOM 1572 C GLY A 94 8.541 -3.016 8.860 1.00 22.12 C ATOM 1573 O GLY A 94 7.976 -3.623 9.773 1.00 23.54 O ATOM 0 H GLY A 94 10.099 -0.640 7.516 1.00 11.55 H new ATOM 0 HA2 GLY A 94 9.359 -1.490 10.131 1.00 61.42 H new ATOM 0 HA3 GLY A 94 8.313 -0.880 8.864 1.00 61.42 H new ATOM 1577 N LEU A 95 8.708 -3.534 7.640 1.00 73.50 N ATOM 1578 CA LEU A 95 8.305 -4.908 7.313 1.00 21.12 C ATOM 1579 C LEU A 95 9.434 -5.905 7.640 1.00 32.24 C ATOM 1580 O LEU A 95 9.310 -7.102 7.371 1.00 22.23 O ATOM 1581 CB LEU A 95 7.931 -5.015 5.825 1.00 34.15 C ATOM 1582 CG LEU A 95 6.857 -4.029 5.335 1.00 24.03 C ATOM 1583 CD1 LEU A 95 6.525 -4.272 3.864 1.00 54.31 C ATOM 1584 CD2 LEU A 95 5.603 -4.121 6.196 1.00 4.33 C ATOM 0 H LEU A 95 9.120 -3.023 6.860 1.00 73.50 H new ATOM 0 HA LEU A 95 7.435 -5.158 7.920 1.00 21.12 H new ATOM 0 HB2 LEU A 95 8.833 -4.866 5.231 1.00 34.15 H new ATOM 0 HB3 LEU A 95 7.584 -6.029 5.629 1.00 34.15 H new ATOM 0 HG LEU A 95 7.258 -3.020 5.428 1.00 24.03 H new ATOM 0 HD11 LEU A 95 5.763 -3.563 3.541 1.00 54.31 H new ATOM 0 HD12 LEU A 95 7.424 -4.139 3.261 1.00 54.31 H new ATOM 0 HD13 LEU A 95 6.151 -5.288 3.738 1.00 54.31 H new ATOM 0 HD21 LEU A 95 4.858 -3.415 5.830 1.00 4.33 H new ATOM 0 HD22 LEU A 95 5.200 -5.132 6.145 1.00 4.33 H new ATOM 0 HD23 LEU A 95 5.853 -3.882 7.230 1.00 4.33 H new ATOM 1596 N ASN A 96 10.538 -5.394 8.206 1.00 45.54 N ATOM 1597 CA ASN A 96 11.687 -6.223 8.612 1.00 1.03 C ATOM 1598 C ASN A 96 12.414 -6.833 7.389 1.00 14.20 C ATOM 1599 O ASN A 96 13.183 -7.792 7.512 1.00 41.33 O ATOM 1600 CB ASN A 96 11.213 -7.323 9.581 1.00 50.41 C ATOM 1601 CG ASN A 96 12.349 -8.064 10.270 1.00 51.00 C ATOM 1602 OD1 ASN A 96 13.426 -7.370 10.582 1.00 35.35 O flip ATOM 1603 ND2 ASN A 96 12.249 -9.258 10.541 1.00 4.11 N flip ATOM 0 H ASN A 96 10.661 -4.399 8.395 1.00 45.54 H new ATOM 0 HA ASN A 96 12.409 -5.585 9.122 1.00 1.03 H new ATOM 0 HB2 ASN A 96 10.571 -6.875 10.339 1.00 50.41 H new ATOM 0 HB3 ASN A 96 10.604 -8.041 9.032 1.00 50.41 H new ATOM 0 HD21 ASN A 96 11.404 -9.769 10.287 1.00 4.11 H new ATOM 0 HD22 ASN A 96 13.011 -9.738 11.020 1.00 4.11 H new ATOM 1610 N LEU A 97 12.191 -6.244 6.215 1.00 0.42 N ATOM 1611 CA LEU A 97 12.787 -6.736 4.964 1.00 54.12 C ATOM 1612 C LEU A 97 14.280 -6.374 4.872 1.00 51.24 C ATOM 1613 O LEU A 97 14.723 -5.386 5.460 1.00 71.32 O ATOM 1614 CB LEU A 97 12.033 -6.154 3.758 1.00 60.13 C ATOM 1615 CG LEU A 97 10.527 -6.452 3.719 1.00 71.42 C ATOM 1616 CD1 LEU A 97 9.899 -5.901 2.444 1.00 11.54 C ATOM 1617 CD2 LEU A 97 10.260 -7.949 3.856 1.00 52.24 C ATOM 0 H LEU A 97 11.600 -5.421 6.099 1.00 0.42 H new ATOM 0 HA LEU A 97 12.702 -7.823 4.957 1.00 54.12 H new ATOM 0 HB2 LEU A 97 12.173 -5.073 3.750 1.00 60.13 H new ATOM 0 HB3 LEU A 97 12.487 -6.541 2.846 1.00 60.13 H new ATOM 0 HG LEU A 97 10.063 -5.951 4.569 1.00 71.42 H new ATOM 0 HD11 LEU A 97 8.832 -6.124 2.438 1.00 11.54 H new ATOM 0 HD12 LEU A 97 10.044 -4.821 2.404 1.00 11.54 H new ATOM 0 HD13 LEU A 97 10.371 -6.363 1.577 1.00 11.54 H new ATOM 0 HD21 LEU A 97 9.186 -8.131 3.825 1.00 52.24 H new ATOM 0 HD22 LEU A 97 10.742 -8.481 3.036 1.00 52.24 H new ATOM 0 HD23 LEU A 97 10.661 -8.305 4.805 1.00 52.24 H new ATOM 1629 N PRO A 98 15.078 -7.169 4.129 1.00 3.53 N ATOM 1630 CA PRO A 98 16.522 -6.918 3.967 1.00 54.13 C ATOM 1631 C PRO A 98 16.824 -5.698 3.076 1.00 70.04 C ATOM 1632 O PRO A 98 16.248 -5.540 1.996 1.00 32.54 O ATOM 1633 CB PRO A 98 17.031 -8.210 3.312 1.00 30.23 C ATOM 1634 CG PRO A 98 15.850 -8.756 2.580 1.00 4.40 C ATOM 1635 CD PRO A 98 14.638 -8.373 3.393 1.00 50.13 C ATOM 0 HA PRO A 98 17.002 -6.685 4.918 1.00 54.13 H new ATOM 0 HB2 PRO A 98 17.860 -8.010 2.633 1.00 30.23 H new ATOM 0 HB3 PRO A 98 17.395 -8.916 4.059 1.00 30.23 H new ATOM 0 HG2 PRO A 98 15.790 -8.342 1.573 1.00 4.40 H new ATOM 0 HG3 PRO A 98 15.923 -9.839 2.476 1.00 4.40 H new ATOM 0 HD2 PRO A 98 13.779 -8.162 2.756 1.00 50.13 H new ATOM 0 HD3 PRO A 98 14.342 -9.172 4.073 1.00 50.13 H new ATOM 1643 N THR A 99 17.754 -4.850 3.515 1.00 43.45 N ATOM 1644 CA THR A 99 18.098 -3.617 2.784 1.00 32.21 C ATOM 1645 C THR A 99 18.943 -3.889 1.516 1.00 71.31 C ATOM 1646 O THR A 99 19.598 -2.988 0.982 1.00 15.14 O ATOM 1647 CB THR A 99 18.848 -2.612 3.700 1.00 1.50 C ATOM 1648 OG1 THR A 99 19.168 -1.410 2.977 1.00 54.45 O ATOM 1649 CG2 THR A 99 20.126 -3.221 4.273 1.00 72.23 C ATOM 0 H THR A 99 18.287 -4.989 4.374 1.00 43.45 H new ATOM 0 HA THR A 99 17.150 -3.182 2.466 1.00 32.21 H new ATOM 0 HB THR A 99 18.182 -2.369 4.528 1.00 1.50 H new ATOM 0 HG1 THR A 99 19.651 -1.641 2.156 1.00 54.45 H new ATOM 0 HG21 THR A 99 20.624 -2.489 4.909 1.00 72.23 H new ATOM 0 HG22 THR A 99 19.876 -4.103 4.862 1.00 72.23 H new ATOM 0 HG23 THR A 99 20.791 -3.506 3.457 1.00 72.23 H new ATOM 1657 N SER A 100 18.918 -5.128 1.024 1.00 23.30 N ATOM 1658 CA SER A 100 19.620 -5.494 -0.216 1.00 71.15 C ATOM 1659 C SER A 100 18.663 -5.588 -1.413 1.00 32.41 C ATOM 1660 O SER A 100 19.102 -5.825 -2.540 1.00 53.41 O ATOM 1661 CB SER A 100 20.355 -6.832 -0.054 1.00 1.13 C ATOM 1662 OG SER A 100 21.024 -7.194 -1.254 1.00 30.43 O ATOM 0 H SER A 100 18.418 -5.901 1.464 1.00 23.30 H new ATOM 0 HA SER A 100 20.341 -4.700 -0.412 1.00 71.15 H new ATOM 0 HB2 SER A 100 21.076 -6.759 0.760 1.00 1.13 H new ATOM 0 HB3 SER A 100 19.643 -7.611 0.219 1.00 1.13 H new ATOM 0 HG SER A 100 20.620 -6.719 -2.010 1.00 30.43 H new ATOM 1668 N ILE A 101 17.363 -5.413 -1.174 1.00 33.34 N ATOM 1669 CA ILE A 101 16.364 -5.507 -2.248 1.00 11.54 C ATOM 1670 C ILE A 101 16.396 -4.262 -3.152 1.00 63.50 C ATOM 1671 O ILE A 101 15.801 -3.229 -2.836 1.00 63.41 O ATOM 1672 CB ILE A 101 14.932 -5.701 -1.683 1.00 23.13 C ATOM 1673 CG1 ILE A 101 14.897 -6.870 -0.683 1.00 33.15 C ATOM 1674 CG2 ILE A 101 13.940 -5.945 -2.823 1.00 55.12 C ATOM 1675 CD1 ILE A 101 13.562 -7.041 0.015 1.00 52.13 C ATOM 0 H ILE A 101 16.975 -5.207 -0.253 1.00 33.34 H new ATOM 0 HA ILE A 101 16.624 -6.383 -2.842 1.00 11.54 H new ATOM 0 HB ILE A 101 14.643 -4.791 -1.157 1.00 23.13 H new ATOM 0 HG12 ILE A 101 15.142 -7.793 -1.209 1.00 33.15 H new ATOM 0 HG13 ILE A 101 15.672 -6.716 0.068 1.00 33.15 H new ATOM 0 HG21 ILE A 101 12.939 -6.079 -2.412 1.00 55.12 H new ATOM 0 HG22 ILE A 101 13.943 -5.089 -3.498 1.00 55.12 H new ATOM 0 HG23 ILE A 101 14.230 -6.841 -3.372 1.00 55.12 H new ATOM 0 HD11 ILE A 101 13.617 -7.884 0.703 1.00 52.13 H new ATOM 0 HD12 ILE A 101 13.323 -6.134 0.571 1.00 52.13 H new ATOM 0 HD13 ILE A 101 12.785 -7.228 -0.726 1.00 52.13 H new ATOM 1687 N THR A 102 17.110 -4.368 -4.271 1.00 41.44 N ATOM 1688 CA THR A 102 17.260 -3.256 -5.226 1.00 62.11 C ATOM 1689 C THR A 102 15.906 -2.739 -5.750 1.00 50.41 C ATOM 1690 O THR A 102 15.723 -1.537 -5.953 1.00 12.21 O ATOM 1691 CB THR A 102 18.133 -3.679 -6.439 1.00 4.11 C ATOM 1692 OG1 THR A 102 19.397 -4.187 -5.983 1.00 63.04 O ATOM 1693 CG2 THR A 102 18.367 -2.509 -7.392 1.00 12.23 C ATOM 0 H THR A 102 17.601 -5.219 -4.546 1.00 41.44 H new ATOM 0 HA THR A 102 17.747 -2.451 -4.676 1.00 62.11 H new ATOM 0 HB THR A 102 17.597 -4.459 -6.979 1.00 4.11 H new ATOM 0 HG1 THR A 102 19.940 -4.453 -6.754 1.00 63.04 H new ATOM 0 HG21 THR A 102 18.981 -2.839 -8.230 1.00 12.23 H new ATOM 0 HG22 THR A 102 17.409 -2.147 -7.765 1.00 12.23 H new ATOM 0 HG23 THR A 102 18.878 -1.705 -6.862 1.00 12.23 H new ATOM 1701 N SER A 103 14.959 -3.651 -5.964 1.00 14.04 N ATOM 1702 CA SER A 103 13.648 -3.300 -6.540 1.00 21.10 C ATOM 1703 C SER A 103 12.577 -3.072 -5.463 1.00 44.54 C ATOM 1704 O SER A 103 11.392 -2.953 -5.781 1.00 72.14 O ATOM 1705 CB SER A 103 13.179 -4.408 -7.494 1.00 13.33 C ATOM 1706 OG SER A 103 13.074 -5.655 -6.824 1.00 2.04 O ATOM 0 H SER A 103 15.069 -4.642 -5.749 1.00 14.04 H new ATOM 0 HA SER A 103 13.779 -2.364 -7.083 1.00 21.10 H new ATOM 0 HB2 SER A 103 12.212 -4.139 -7.920 1.00 13.33 H new ATOM 0 HB3 SER A 103 13.880 -4.497 -8.324 1.00 13.33 H new ATOM 0 HG SER A 103 12.772 -6.341 -7.455 1.00 2.04 H new ATOM 1712 N ALA A 104 12.998 -2.991 -4.198 1.00 13.15 N ATOM 1713 CA ALA A 104 12.070 -2.842 -3.061 1.00 44.52 C ATOM 1714 C ALA A 104 11.037 -1.725 -3.282 1.00 0.34 C ATOM 1715 O ALA A 104 9.833 -1.981 -3.340 1.00 65.24 O ATOM 1716 CB ALA A 104 12.851 -2.579 -1.777 1.00 30.03 C ATOM 0 H ALA A 104 13.981 -3.026 -3.929 1.00 13.15 H new ATOM 0 HA ALA A 104 11.519 -3.779 -2.975 1.00 44.52 H new ATOM 0 HB1 ALA A 104 12.156 -2.471 -0.944 1.00 30.03 H new ATOM 0 HB2 ALA A 104 13.523 -3.415 -1.582 1.00 30.03 H new ATOM 0 HB3 ALA A 104 13.432 -1.663 -1.886 1.00 30.03 H new ATOM 1722 N ALA A 105 11.521 -0.490 -3.411 1.00 22.31 N ATOM 1723 CA ALA A 105 10.652 0.680 -3.594 1.00 43.54 C ATOM 1724 C ALA A 105 9.689 0.510 -4.781 1.00 33.24 C ATOM 1725 O ALA A 105 8.501 0.829 -4.687 1.00 63.33 O ATOM 1726 CB ALA A 105 11.509 1.926 -3.791 1.00 11.30 C ATOM 0 H ALA A 105 12.517 -0.270 -3.392 1.00 22.31 H new ATOM 0 HA ALA A 105 10.042 0.784 -2.696 1.00 43.54 H new ATOM 0 HB1 ALA A 105 10.864 2.794 -3.927 1.00 11.30 H new ATOM 0 HB2 ALA A 105 12.139 2.076 -2.915 1.00 11.30 H new ATOM 0 HB3 ALA A 105 12.137 1.800 -4.673 1.00 11.30 H new ATOM 1732 N PHE A 106 10.208 -0.009 -5.890 1.00 33.11 N ATOM 1733 CA PHE A 106 9.429 -0.152 -7.122 1.00 23.34 C ATOM 1734 C PHE A 106 8.287 -1.172 -6.959 1.00 34.00 C ATOM 1735 O PHE A 106 7.135 -0.899 -7.320 1.00 20.23 O ATOM 1736 CB PHE A 106 10.352 -0.566 -8.277 1.00 21.12 C ATOM 1737 CG PHE A 106 9.674 -0.583 -9.621 1.00 12.44 C ATOM 1738 CD1 PHE A 106 9.229 0.599 -10.199 1.00 13.04 C ATOM 1739 CD2 PHE A 106 9.474 -1.775 -10.303 1.00 61.15 C ATOM 1740 CE1 PHE A 106 8.602 0.590 -11.429 1.00 52.45 C ATOM 1741 CE2 PHE A 106 8.847 -1.788 -11.533 1.00 12.14 C ATOM 1742 CZ PHE A 106 8.410 -0.605 -12.097 1.00 44.13 C ATOM 0 H PHE A 106 11.170 -0.340 -5.963 1.00 33.11 H new ATOM 0 HA PHE A 106 8.976 0.814 -7.347 1.00 23.34 H new ATOM 0 HB2 PHE A 106 11.199 0.119 -8.316 1.00 21.12 H new ATOM 0 HB3 PHE A 106 10.754 -1.558 -8.071 1.00 21.12 H new ATOM 0 HD1 PHE A 106 9.375 1.535 -9.681 1.00 13.04 H new ATOM 0 HD2 PHE A 106 9.813 -2.703 -9.867 1.00 61.15 H new ATOM 0 HE1 PHE A 106 8.262 1.516 -11.869 1.00 52.45 H new ATOM 0 HE2 PHE A 106 8.698 -2.722 -12.054 1.00 12.14 H new ATOM 0 HZ PHE A 106 7.919 -0.614 -13.059 1.00 44.13 H new ATOM 1752 N THR A 107 8.610 -2.345 -6.414 1.00 42.33 N ATOM 1753 CA THR A 107 7.616 -3.410 -6.208 1.00 71.32 C ATOM 1754 C THR A 107 6.548 -2.994 -5.186 1.00 63.31 C ATOM 1755 O THR A 107 5.353 -3.078 -5.467 1.00 2.22 O ATOM 1756 CB THR A 107 8.275 -4.736 -5.745 1.00 2.51 C ATOM 1757 OG1 THR A 107 9.215 -5.195 -6.732 1.00 53.14 O ATOM 1758 CG2 THR A 107 7.227 -5.823 -5.502 1.00 71.23 C ATOM 0 H THR A 107 9.552 -2.586 -6.105 1.00 42.33 H new ATOM 0 HA THR A 107 7.141 -3.574 -7.175 1.00 71.32 H new ATOM 0 HB THR A 107 8.793 -4.537 -4.807 1.00 2.51 H new ATOM 0 HG1 THR A 107 10.034 -4.659 -6.678 1.00 53.14 H new ATOM 0 HG21 THR A 107 7.721 -6.739 -5.179 1.00 71.23 H new ATOM 0 HG22 THR A 107 6.533 -5.493 -4.729 1.00 71.23 H new ATOM 0 HG23 THR A 107 6.679 -6.013 -6.425 1.00 71.23 H new ATOM 1766 N LEU A 108 6.981 -2.532 -4.010 1.00 35.21 N ATOM 1767 CA LEU A 108 6.048 -2.105 -2.954 1.00 71.21 C ATOM 1768 C LEU A 108 5.049 -1.059 -3.475 1.00 14.45 C ATOM 1769 O LEU A 108 3.840 -1.168 -3.252 1.00 33.10 O ATOM 1770 CB LEU A 108 6.819 -1.533 -1.756 1.00 21.44 C ATOM 1771 CG LEU A 108 7.746 -2.526 -1.034 1.00 42.15 C ATOM 1772 CD1 LEU A 108 8.481 -1.838 0.113 1.00 44.14 C ATOM 1773 CD2 LEU A 108 6.958 -3.731 -0.524 1.00 54.22 C ATOM 0 H LEU A 108 7.966 -2.443 -3.762 1.00 35.21 H new ATOM 0 HA LEU A 108 5.488 -2.984 -2.636 1.00 71.21 H new ATOM 0 HB2 LEU A 108 7.416 -0.688 -2.099 1.00 21.44 H new ATOM 0 HB3 LEU A 108 6.100 -1.143 -1.035 1.00 21.44 H new ATOM 0 HG LEU A 108 8.486 -2.883 -1.750 1.00 42.15 H new ATOM 0 HD11 LEU A 108 9.132 -2.557 0.611 1.00 44.14 H new ATOM 0 HD12 LEU A 108 9.081 -1.017 -0.280 1.00 44.14 H new ATOM 0 HD13 LEU A 108 7.756 -1.448 0.828 1.00 44.14 H new ATOM 0 HD21 LEU A 108 7.634 -4.420 -0.017 1.00 54.22 H new ATOM 0 HD22 LEU A 108 6.191 -3.395 0.174 1.00 54.22 H new ATOM 0 HD23 LEU A 108 6.486 -4.239 -1.365 1.00 54.22 H new ATOM 1785 N ARG A 109 5.571 -0.051 -4.174 1.00 63.52 N ATOM 1786 CA ARG A 109 4.739 0.984 -4.796 1.00 3.42 C ATOM 1787 C ARG A 109 3.664 0.373 -5.714 1.00 62.23 C ATOM 1788 O ARG A 109 2.489 0.730 -5.638 1.00 42.50 O ATOM 1789 CB ARG A 109 5.622 1.938 -5.615 1.00 4.33 C ATOM 1790 CG ARG A 109 4.847 3.042 -6.338 1.00 33.25 C ATOM 1791 CD ARG A 109 5.395 3.301 -7.739 1.00 75.12 C ATOM 1792 NE ARG A 109 5.277 2.117 -8.597 1.00 22.01 N ATOM 1793 CZ ARG A 109 4.825 2.137 -9.826 1.00 62.22 C ATOM 1794 NH1 ARG A 109 4.460 3.248 -10.382 1.00 43.55 N ATOM 1795 NH2 ARG A 109 4.733 1.040 -10.500 1.00 62.32 N ATOM 0 H ARG A 109 6.572 0.073 -4.325 1.00 63.52 H new ATOM 0 HA ARG A 109 4.236 1.530 -3.998 1.00 3.42 H new ATOM 0 HB2 ARG A 109 6.354 2.398 -4.951 1.00 4.33 H new ATOM 0 HB3 ARG A 109 6.179 1.358 -6.351 1.00 4.33 H new ATOM 0 HG2 ARG A 109 3.796 2.762 -6.406 1.00 33.25 H new ATOM 0 HG3 ARG A 109 4.895 3.961 -5.754 1.00 33.25 H new ATOM 0 HD2 ARG A 109 4.856 4.133 -8.192 1.00 75.12 H new ATOM 0 HD3 ARG A 109 6.442 3.598 -7.671 1.00 75.12 H new ATOM 0 HE ARG A 109 5.566 1.218 -8.211 1.00 22.01 H new ATOM 0 HH11 ARG A 109 4.523 4.123 -9.862 1.00 43.55 H new ATOM 0 HH12 ARG A 109 4.110 3.248 -11.340 1.00 43.55 H new ATOM 0 HH21 ARG A 109 5.013 0.156 -10.076 1.00 62.32 H new ATOM 0 HH22 ARG A 109 4.381 1.057 -11.457 1.00 62.32 H new ATOM 1809 N THR A 110 4.084 -0.550 -6.576 1.00 33.21 N ATOM 1810 CA THR A 110 3.192 -1.157 -7.574 1.00 55.15 C ATOM 1811 C THR A 110 2.118 -2.042 -6.921 1.00 3.31 C ATOM 1812 O THR A 110 0.931 -1.942 -7.242 1.00 20.33 O ATOM 1813 CB THR A 110 3.994 -2.005 -8.593 1.00 74.44 C ATOM 1814 OG1 THR A 110 5.072 -1.223 -9.143 1.00 74.14 O ATOM 1815 CG2 THR A 110 3.099 -2.508 -9.723 1.00 51.32 C ATOM 0 H THR A 110 5.042 -0.899 -6.607 1.00 33.21 H new ATOM 0 HA THR A 110 2.698 -0.334 -8.091 1.00 55.15 H new ATOM 0 HB THR A 110 4.398 -2.869 -8.066 1.00 74.44 H new ATOM 0 HG1 THR A 110 5.788 -1.140 -8.479 1.00 74.14 H new ATOM 0 HG21 THR A 110 3.692 -3.099 -10.421 1.00 51.32 H new ATOM 0 HG22 THR A 110 2.303 -3.126 -9.309 1.00 51.32 H new ATOM 0 HG23 THR A 110 2.663 -1.658 -10.247 1.00 51.32 H new ATOM 1823 N GLN A 111 2.539 -2.901 -5.995 1.00 25.33 N ATOM 1824 CA GLN A 111 1.620 -3.828 -5.324 1.00 61.30 C ATOM 1825 C GLN A 111 0.602 -3.080 -4.449 1.00 11.42 C ATOM 1826 O GLN A 111 -0.582 -3.428 -4.421 1.00 65.54 O ATOM 1827 CB GLN A 111 2.407 -4.845 -4.485 1.00 62.12 C ATOM 1828 CG GLN A 111 3.443 -5.627 -5.291 1.00 2.23 C ATOM 1829 CD GLN A 111 2.849 -6.379 -6.478 1.00 11.32 C ATOM 1830 OE1 GLN A 111 1.628 -6.863 -6.340 1.00 52.03 O flip ATOM 1831 NE2 GLN A 111 3.494 -6.547 -7.503 1.00 33.31 N flip ATOM 0 H GLN A 111 3.509 -2.977 -5.690 1.00 25.33 H new ATOM 0 HA GLN A 111 1.063 -4.361 -6.094 1.00 61.30 H new ATOM 0 HB2 GLN A 111 2.910 -4.322 -3.672 1.00 62.12 H new ATOM 0 HB3 GLN A 111 1.708 -5.546 -4.029 1.00 62.12 H new ATOM 0 HG2 GLN A 111 4.206 -4.938 -5.653 1.00 2.23 H new ATOM 0 HG3 GLN A 111 3.942 -6.338 -4.633 1.00 2.23 H new ATOM 0 HE21 GLN A 111 4.435 -6.162 -7.582 1.00 33.31 H new ATOM 0 HE22 GLN A 111 3.091 -7.072 -8.279 1.00 33.31 H new ATOM 1840 N TYR A 112 1.064 -2.049 -3.739 1.00 63.32 N ATOM 1841 CA TYR A 112 0.166 -1.192 -2.956 1.00 44.35 C ATOM 1842 C TYR A 112 -0.859 -0.522 -3.882 1.00 45.45 C ATOM 1843 O TYR A 112 -2.061 -0.530 -3.612 1.00 71.11 O ATOM 1844 CB TYR A 112 0.969 -0.119 -2.202 1.00 24.44 C ATOM 1845 CG TYR A 112 0.151 0.676 -1.194 1.00 45.42 C ATOM 1846 CD1 TYR A 112 -0.738 1.669 -1.603 1.00 24.24 C ATOM 1847 CD2 TYR A 112 0.266 0.426 0.167 1.00 2.44 C ATOM 1848 CE1 TYR A 112 -1.483 2.385 -0.683 1.00 22.50 C ATOM 1849 CE2 TYR A 112 -0.474 1.138 1.089 1.00 35.13 C ATOM 1850 CZ TYR A 112 -1.348 2.113 0.661 1.00 41.34 C ATOM 1851 OH TYR A 112 -2.088 2.818 1.581 1.00 43.24 O ATOM 0 H TYR A 112 2.048 -1.787 -3.689 1.00 63.32 H new ATOM 0 HA TYR A 112 -0.359 -1.811 -2.229 1.00 44.35 H new ATOM 0 HB2 TYR A 112 1.798 -0.599 -1.683 1.00 24.44 H new ATOM 0 HB3 TYR A 112 1.403 0.571 -2.926 1.00 24.44 H new ATOM 0 HD1 TYR A 112 -0.847 1.883 -2.656 1.00 24.24 H new ATOM 0 HD2 TYR A 112 0.947 -0.339 0.510 1.00 2.44 H new ATOM 0 HE1 TYR A 112 -2.166 3.152 -1.016 1.00 22.50 H new ATOM 0 HE2 TYR A 112 -0.368 0.931 2.144 1.00 35.13 H new ATOM 0 HH TYR A 112 -2.645 2.198 2.097 1.00 43.24 H new ATOM 1861 N MET A 113 -0.360 0.033 -4.987 1.00 23.11 N ATOM 1862 CA MET A 113 -1.190 0.759 -5.955 1.00 33.53 C ATOM 1863 C MET A 113 -2.324 -0.115 -6.520 1.00 5.31 C ATOM 1864 O MET A 113 -3.387 0.390 -6.883 1.00 25.34 O ATOM 1865 CB MET A 113 -0.314 1.282 -7.099 1.00 71.22 C ATOM 1866 CG MET A 113 -1.037 2.218 -8.057 1.00 42.54 C ATOM 1867 SD MET A 113 0.040 2.819 -9.370 1.00 31.42 S ATOM 1868 CE MET A 113 1.373 3.531 -8.406 1.00 71.23 C ATOM 0 H MET A 113 0.628 -0.007 -5.238 1.00 23.11 H new ATOM 0 HA MET A 113 -1.653 1.594 -5.430 1.00 33.53 H new ATOM 0 HB2 MET A 113 0.544 1.804 -6.676 1.00 71.22 H new ATOM 0 HB3 MET A 113 0.075 0.433 -7.662 1.00 71.22 H new ATOM 0 HG2 MET A 113 -1.887 1.697 -8.498 1.00 42.54 H new ATOM 0 HG3 MET A 113 -1.436 3.066 -7.501 1.00 42.54 H new ATOM 0 HE1 MET A 113 2.032 4.100 -9.061 1.00 71.23 H new ATOM 0 HE2 MET A 113 0.959 4.192 -7.645 1.00 71.23 H new ATOM 0 HE3 MET A 113 1.940 2.734 -7.925 1.00 71.23 H new ATOM 1878 N LYS A 114 -2.091 -1.419 -6.612 1.00 62.44 N ATOM 1879 CA LYS A 114 -3.117 -2.344 -7.108 1.00 24.25 C ATOM 1880 C LYS A 114 -4.146 -2.714 -6.026 1.00 53.32 C ATOM 1881 O LYS A 114 -5.352 -2.607 -6.245 1.00 13.34 O ATOM 1882 CB LYS A 114 -2.475 -3.633 -7.646 1.00 42.40 C ATOM 1883 CG LYS A 114 -1.638 -3.445 -8.907 1.00 12.44 C ATOM 1884 CD LYS A 114 -1.193 -4.786 -9.493 1.00 70.31 C ATOM 1885 CE LYS A 114 -2.389 -5.670 -9.840 1.00 34.35 C ATOM 1886 NZ LYS A 114 -1.981 -6.982 -10.406 1.00 0.05 N ATOM 0 H LYS A 114 -1.210 -1.862 -6.353 1.00 62.44 H new ATOM 0 HA LYS A 114 -3.637 -1.822 -7.911 1.00 24.25 H new ATOM 0 HB2 LYS A 114 -1.844 -4.062 -6.867 1.00 42.40 H new ATOM 0 HB3 LYS A 114 -3.263 -4.357 -7.853 1.00 42.40 H new ATOM 0 HG2 LYS A 114 -2.217 -2.897 -9.650 1.00 12.44 H new ATOM 0 HG3 LYS A 114 -0.762 -2.840 -8.676 1.00 12.44 H new ATOM 0 HD2 LYS A 114 -0.596 -4.613 -10.388 1.00 70.31 H new ATOM 0 HD3 LYS A 114 -0.553 -5.302 -8.778 1.00 70.31 H new ATOM 0 HE2 LYS A 114 -2.987 -5.835 -8.944 1.00 34.35 H new ATOM 0 HE3 LYS A 114 -3.025 -5.151 -10.557 1.00 34.35 H new ATOM 0 HZ1 LYS A 114 -2.828 -7.544 -10.625 1.00 0.05 H new ATOM 0 HZ2 LYS A 114 -1.433 -6.829 -11.276 1.00 0.05 H new ATOM 0 HZ3 LYS A 114 -1.396 -7.492 -9.714 1.00 0.05 H new ATOM 1900 N TYR A 115 -3.667 -3.148 -4.860 1.00 70.43 N ATOM 1901 CA TYR A 115 -4.549 -3.750 -3.847 1.00 33.31 C ATOM 1902 C TYR A 115 -5.007 -2.747 -2.770 1.00 15.35 C ATOM 1903 O TYR A 115 -6.201 -2.621 -2.490 1.00 52.24 O ATOM 1904 CB TYR A 115 -3.833 -4.934 -3.171 1.00 12.25 C ATOM 1905 CG TYR A 115 -3.136 -5.879 -4.141 1.00 0.25 C ATOM 1906 CD1 TYR A 115 -3.778 -6.340 -5.290 1.00 23.23 C ATOM 1907 CD2 TYR A 115 -1.832 -6.308 -3.909 1.00 52.04 C ATOM 1908 CE1 TYR A 115 -3.142 -7.193 -6.172 1.00 5.01 C ATOM 1909 CE2 TYR A 115 -1.193 -7.163 -4.787 1.00 14.01 C ATOM 1910 CZ TYR A 115 -1.851 -7.599 -5.917 1.00 34.20 C ATOM 1911 OH TYR A 115 -1.214 -8.445 -6.797 1.00 20.42 O ATOM 0 H TYR A 115 -2.685 -3.097 -4.591 1.00 70.43 H new ATOM 0 HA TYR A 115 -5.443 -4.089 -4.371 1.00 33.31 H new ATOM 0 HB2 TYR A 115 -3.096 -4.545 -2.468 1.00 12.25 H new ATOM 0 HB3 TYR A 115 -4.561 -5.500 -2.590 1.00 12.25 H new ATOM 0 HD1 TYR A 115 -4.791 -6.025 -5.494 1.00 23.23 H new ATOM 0 HD2 TYR A 115 -1.310 -5.967 -3.027 1.00 52.04 H new ATOM 0 HE1 TYR A 115 -3.655 -7.540 -7.057 1.00 5.01 H new ATOM 0 HE2 TYR A 115 -0.182 -7.488 -4.589 1.00 14.01 H new ATOM 0 HH TYR A 115 -0.278 -8.172 -6.894 1.00 20.42 H new ATOM 1921 N LEU A 116 -4.059 -2.028 -2.177 1.00 41.13 N ATOM 1922 CA LEU A 116 -4.338 -1.195 -0.997 1.00 14.24 C ATOM 1923 C LEU A 116 -4.732 0.246 -1.372 1.00 53.14 C ATOM 1924 O LEU A 116 -5.350 0.960 -0.579 1.00 23.12 O ATOM 1925 CB LEU A 116 -3.101 -1.184 -0.086 1.00 22.31 C ATOM 1926 CG LEU A 116 -2.588 -2.575 0.337 1.00 20.43 C ATOM 1927 CD1 LEU A 116 -1.303 -2.463 1.150 1.00 61.13 C ATOM 1928 CD2 LEU A 116 -3.654 -3.322 1.127 1.00 70.12 C ATOM 0 H LEU A 116 -3.088 -2.001 -2.489 1.00 41.13 H new ATOM 0 HA LEU A 116 -5.191 -1.629 -0.475 1.00 14.24 H new ATOM 0 HB2 LEU A 116 -2.296 -0.657 -0.599 1.00 22.31 H new ATOM 0 HB3 LEU A 116 -3.335 -0.612 0.812 1.00 22.31 H new ATOM 0 HG LEU A 116 -2.367 -3.140 -0.569 1.00 20.43 H new ATOM 0 HD11 LEU A 116 -0.964 -3.459 1.435 1.00 61.13 H new ATOM 0 HD12 LEU A 116 -0.534 -1.976 0.550 1.00 61.13 H new ATOM 0 HD13 LEU A 116 -1.490 -1.873 2.047 1.00 61.13 H new ATOM 0 HD21 LEU A 116 -3.273 -4.301 1.416 1.00 70.12 H new ATOM 0 HD22 LEU A 116 -3.910 -2.753 2.021 1.00 70.12 H new ATOM 0 HD23 LEU A 116 -4.544 -3.447 0.510 1.00 70.12 H new ATOM 1940 N TYR A 117 -4.386 0.655 -2.589 1.00 14.12 N ATOM 1941 CA TYR A 117 -4.615 2.034 -3.054 1.00 11.11 C ATOM 1942 C TYR A 117 -6.107 2.440 -3.040 1.00 14.43 C ATOM 1943 O TYR A 117 -6.450 3.503 -2.509 1.00 13.00 O ATOM 1944 CB TYR A 117 -4.012 2.221 -4.456 1.00 24.42 C ATOM 1945 CG TYR A 117 -4.430 3.500 -5.164 1.00 1.24 C ATOM 1946 CD1 TYR A 117 -3.927 4.738 -4.773 1.00 21.22 C ATOM 1947 CD2 TYR A 117 -5.326 3.464 -6.229 1.00 73.10 C ATOM 1948 CE1 TYR A 117 -4.308 5.899 -5.419 1.00 21.14 C ATOM 1949 CE2 TYR A 117 -5.709 4.620 -6.877 1.00 73.44 C ATOM 1950 CZ TYR A 117 -5.199 5.833 -6.470 1.00 21.24 C ATOM 1951 OH TYR A 117 -5.584 6.984 -7.118 1.00 11.20 O ATOM 0 H TYR A 117 -3.942 0.052 -3.281 1.00 14.12 H new ATOM 0 HA TYR A 117 -4.114 2.697 -2.349 1.00 11.11 H new ATOM 0 HB2 TYR A 117 -2.925 2.206 -4.374 1.00 24.42 H new ATOM 0 HB3 TYR A 117 -4.296 1.370 -5.075 1.00 24.42 H new ATOM 0 HD1 TYR A 117 -3.228 4.792 -3.952 1.00 21.22 H new ATOM 0 HD2 TYR A 117 -5.728 2.515 -6.553 1.00 73.10 H new ATOM 0 HE1 TYR A 117 -3.911 6.852 -5.103 1.00 21.14 H new ATOM 0 HE2 TYR A 117 -6.406 4.574 -7.700 1.00 73.44 H new ATOM 0 HH TYR A 117 -4.973 7.713 -6.882 1.00 11.20 H new ATOM 1961 N PRO A 118 -7.026 1.624 -3.616 1.00 62.43 N ATOM 1962 CA PRO A 118 -8.462 1.957 -3.617 1.00 12.53 C ATOM 1963 C PRO A 118 -9.016 2.147 -2.196 1.00 33.34 C ATOM 1964 O PRO A 118 -9.907 2.968 -1.967 1.00 64.04 O ATOM 1965 CB PRO A 118 -9.120 0.748 -4.312 1.00 21.43 C ATOM 1966 CG PRO A 118 -8.103 -0.345 -4.244 1.00 33.10 C ATOM 1967 CD PRO A 118 -6.764 0.339 -4.295 1.00 4.23 C ATOM 0 HA PRO A 118 -8.661 2.902 -4.123 1.00 12.53 H new ATOM 0 HB2 PRO A 118 -10.043 0.459 -3.809 1.00 21.43 H new ATOM 0 HB3 PRO A 118 -9.379 0.981 -5.345 1.00 21.43 H new ATOM 0 HG2 PRO A 118 -8.212 -0.924 -3.327 1.00 33.10 H new ATOM 0 HG3 PRO A 118 -8.219 -1.040 -5.076 1.00 33.10 H new ATOM 0 HD2 PRO A 118 -5.995 -0.239 -3.783 1.00 4.23 H new ATOM 0 HD3 PRO A 118 -6.424 0.485 -5.320 1.00 4.23 H new ATOM 1975 N TYR A 119 -8.464 1.396 -1.241 1.00 24.03 N ATOM 1976 CA TYR A 119 -8.910 1.455 0.152 1.00 50.04 C ATOM 1977 C TYR A 119 -8.426 2.745 0.836 1.00 2.31 C ATOM 1978 O TYR A 119 -9.197 3.415 1.524 1.00 5.33 O ATOM 1979 CB TYR A 119 -8.407 0.222 0.916 1.00 71.53 C ATOM 1980 CG TYR A 119 -9.215 -0.107 2.159 1.00 73.14 C ATOM 1981 CD1 TYR A 119 -10.442 -0.756 2.053 1.00 72.31 C ATOM 1982 CD2 TYR A 119 -8.755 0.219 3.432 1.00 4.43 C ATOM 1983 CE1 TYR A 119 -11.186 -1.066 3.174 1.00 53.55 C ATOM 1984 CE2 TYR A 119 -9.495 -0.091 4.559 1.00 33.43 C ATOM 1985 CZ TYR A 119 -10.708 -0.736 4.424 1.00 72.14 C ATOM 1986 OH TYR A 119 -11.453 -1.042 5.540 1.00 11.41 O ATOM 0 H TYR A 119 -7.704 0.737 -1.408 1.00 24.03 H new ATOM 0 HA TYR A 119 -10.000 1.461 0.163 1.00 50.04 H new ATOM 0 HB2 TYR A 119 -8.422 -0.638 0.247 1.00 71.53 H new ATOM 0 HB3 TYR A 119 -7.368 0.384 1.203 1.00 71.53 H new ATOM 0 HD1 TYR A 119 -10.819 -1.022 1.076 1.00 72.31 H new ATOM 0 HD2 TYR A 119 -7.805 0.722 3.541 1.00 4.43 H new ATOM 0 HE1 TYR A 119 -12.138 -1.565 3.072 1.00 53.55 H new ATOM 0 HE2 TYR A 119 -9.126 0.170 5.540 1.00 33.43 H new ATOM 0 HH TYR A 119 -12.234 -1.573 5.277 1.00 11.41 H new ATOM 1996 N GLU A 120 -7.151 3.089 0.635 1.00 15.43 N ATOM 1997 CA GLU A 120 -6.569 4.313 1.213 1.00 31.24 C ATOM 1998 C GLU A 120 -7.313 5.563 0.719 1.00 34.33 C ATOM 1999 O GLU A 120 -7.804 6.366 1.519 1.00 44.33 O ATOM 2000 CB GLU A 120 -5.067 4.411 0.860 1.00 62.44 C ATOM 2001 CG GLU A 120 -4.309 5.563 1.552 1.00 72.53 C ATOM 2002 CD GLU A 120 -4.062 6.785 0.660 1.00 33.34 C ATOM 2003 OE1 GLU A 120 -5.001 7.589 0.465 1.00 52.04 O ATOM 2004 OE2 GLU A 120 -2.914 6.964 0.185 1.00 10.12 O ATOM 0 H GLU A 120 -6.498 2.539 0.076 1.00 15.43 H new ATOM 0 HA GLU A 120 -6.675 4.260 2.297 1.00 31.24 H new ATOM 0 HB2 GLU A 120 -4.585 3.469 1.123 1.00 62.44 H new ATOM 0 HB3 GLU A 120 -4.970 4.529 -0.219 1.00 62.44 H new ATOM 0 HG2 GLU A 120 -4.874 5.877 2.430 1.00 72.53 H new ATOM 0 HG3 GLU A 120 -3.349 5.188 1.908 1.00 72.53 H new ATOM 2011 N CYS A 121 -7.407 5.706 -0.603 1.00 65.13 N ATOM 2012 CA CYS A 121 -8.045 6.878 -1.220 1.00 75.12 C ATOM 2013 C CYS A 121 -9.547 6.971 -0.883 1.00 32.15 C ATOM 2014 O CYS A 121 -10.107 8.065 -0.811 1.00 64.01 O ATOM 2015 CB CYS A 121 -7.849 6.840 -2.744 1.00 31.12 C ATOM 2016 SG CYS A 121 -8.435 8.315 -3.614 1.00 54.52 S ATOM 0 H CYS A 121 -7.049 5.025 -1.272 1.00 65.13 H new ATOM 0 HA CYS A 121 -7.564 7.765 -0.808 1.00 75.12 H new ATOM 0 HB2 CYS A 121 -6.789 6.705 -2.958 1.00 31.12 H new ATOM 0 HB3 CYS A 121 -8.368 5.968 -3.143 1.00 31.12 H new ATOM 0 HG CYS A 121 -9.349 8.905 -2.902 1.00 54.52 H new ATOM 2022 N GLU A 122 -10.193 5.823 -0.679 1.00 75.20 N ATOM 2023 CA GLU A 122 -11.620 5.787 -0.324 1.00 65.13 C ATOM 2024 C GLU A 122 -11.855 6.090 1.170 1.00 4.00 C ATOM 2025 O GLU A 122 -12.558 7.039 1.517 1.00 12.14 O ATOM 2026 CB GLU A 122 -12.211 4.413 -0.688 1.00 1.24 C ATOM 2027 CG GLU A 122 -13.641 4.180 -0.201 1.00 44.42 C ATOM 2028 CD GLU A 122 -14.625 5.228 -0.695 1.00 21.14 C ATOM 2029 OE1 GLU A 122 -14.927 5.249 -1.909 1.00 72.00 O ATOM 2030 OE2 GLU A 122 -15.121 6.022 0.132 1.00 2.02 O ATOM 0 H GLU A 122 -9.755 4.905 -0.752 1.00 75.20 H new ATOM 0 HA GLU A 122 -12.124 6.567 -0.894 1.00 65.13 H new ATOM 0 HB2 GLU A 122 -12.188 4.299 -1.772 1.00 1.24 H new ATOM 0 HB3 GLU A 122 -11.570 3.636 -0.272 1.00 1.24 H new ATOM 0 HG2 GLU A 122 -13.974 3.196 -0.531 1.00 44.42 H new ATOM 0 HG3 GLU A 122 -13.649 4.170 0.889 1.00 44.42 H new ATOM 2037 N LYS A 123 -11.265 5.280 2.046 1.00 13.31 N ATOM 2038 CA LYS A 123 -11.500 5.394 3.495 1.00 14.43 C ATOM 2039 C LYS A 123 -10.941 6.694 4.087 1.00 4.53 C ATOM 2040 O LYS A 123 -11.531 7.269 5.002 1.00 51.35 O ATOM 2041 CB LYS A 123 -10.894 4.186 4.219 1.00 31.11 C ATOM 2042 CG LYS A 123 -11.569 2.868 3.861 1.00 22.05 C ATOM 2043 CD LYS A 123 -13.042 2.864 4.267 1.00 54.11 C ATOM 2044 CE LYS A 123 -13.743 1.577 3.856 1.00 70.30 C ATOM 2045 NZ LYS A 123 -15.158 1.549 4.308 1.00 13.33 N ATOM 0 H LYS A 123 -10.619 4.535 1.784 1.00 13.31 H new ATOM 0 HA LYS A 123 -12.580 5.415 3.643 1.00 14.43 H new ATOM 0 HB2 LYS A 123 -9.833 4.121 3.977 1.00 31.11 H new ATOM 0 HB3 LYS A 123 -10.966 4.343 5.295 1.00 31.11 H new ATOM 0 HG2 LYS A 123 -11.486 2.695 2.788 1.00 22.05 H new ATOM 0 HG3 LYS A 123 -11.052 2.047 4.357 1.00 22.05 H new ATOM 0 HD2 LYS A 123 -13.121 2.991 5.347 1.00 54.11 H new ATOM 0 HD3 LYS A 123 -13.547 3.714 3.808 1.00 54.11 H new ATOM 0 HE2 LYS A 123 -13.706 1.474 2.772 1.00 70.30 H new ATOM 0 HE3 LYS A 123 -13.211 0.723 4.276 1.00 70.30 H new ATOM 0 HZ1 LYS A 123 -15.600 0.657 4.009 1.00 13.33 H new ATOM 0 HZ2 LYS A 123 -15.193 1.622 5.345 1.00 13.33 H new ATOM 0 HZ3 LYS A 123 -15.673 2.349 3.887 1.00 13.33 H new ATOM 2059 N ARG A 124 -9.804 7.149 3.575 1.00 33.43 N ATOM 2060 CA ARG A 124 -9.176 8.382 4.067 1.00 54.04 C ATOM 2061 C ARG A 124 -9.050 9.435 2.962 1.00 2.11 C ATOM 2062 O ARG A 124 -9.633 10.519 3.044 1.00 55.30 O ATOM 2063 CB ARG A 124 -7.789 8.073 4.655 1.00 15.25 C ATOM 2064 CG ARG A 124 -7.808 7.283 5.967 1.00 22.32 C ATOM 2065 CD ARG A 124 -8.403 8.086 7.127 1.00 61.52 C ATOM 2066 NE ARG A 124 -9.863 8.184 7.057 1.00 61.31 N ATOM 2067 CZ ARG A 124 -10.541 9.293 7.189 1.00 1.42 C ATOM 2068 NH1 ARG A 124 -9.941 10.435 7.271 1.00 1.43 N ATOM 2069 NH2 ARG A 124 -11.829 9.257 7.200 1.00 40.53 N ATOM 0 H ARG A 124 -9.294 6.688 2.821 1.00 33.43 H new ATOM 0 HA ARG A 124 -9.819 8.790 4.846 1.00 54.04 H new ATOM 0 HB2 ARG A 124 -7.214 7.512 3.918 1.00 15.25 H new ATOM 0 HB3 ARG A 124 -7.263 9.013 4.821 1.00 15.25 H new ATOM 0 HG2 ARG A 124 -8.385 6.369 5.828 1.00 22.32 H new ATOM 0 HG3 ARG A 124 -6.791 6.983 6.221 1.00 22.32 H new ATOM 0 HD2 ARG A 124 -8.119 7.619 8.070 1.00 61.52 H new ATOM 0 HD3 ARG A 124 -7.975 9.089 7.126 1.00 61.52 H new ATOM 0 HE ARG A 124 -10.388 7.325 6.893 1.00 61.31 H new ATOM 0 HH11 ARG A 124 -8.923 10.480 7.233 1.00 1.43 H new ATOM 0 HH12 ARG A 124 -10.486 11.291 7.374 1.00 1.43 H new ATOM 0 HH21 ARG A 124 -12.315 8.365 7.106 1.00 40.53 H new ATOM 0 HH22 ARG A 124 -12.362 10.120 7.303 1.00 40.53 H new ATOM 2083 N GLY A 125 -8.295 9.106 1.922 1.00 62.44 N ATOM 2084 CA GLY A 125 -7.990 10.077 0.882 1.00 65.14 C ATOM 2085 C GLY A 125 -6.715 10.849 1.191 1.00 24.42 C ATOM 2086 O GLY A 125 -6.697 12.082 1.170 1.00 32.35 O ATOM 0 H GLY A 125 -7.886 8.183 1.777 1.00 62.44 H new ATOM 0 HA2 GLY A 125 -7.883 9.565 -0.074 1.00 65.14 H new ATOM 0 HA3 GLY A 125 -8.822 10.774 0.779 1.00 65.14 H new ATOM 2090 N LEU A 126 -5.651 10.117 1.508 1.00 54.43 N ATOM 2091 CA LEU A 126 -4.360 10.723 1.840 1.00 33.23 C ATOM 2092 C LEU A 126 -3.620 11.145 0.569 1.00 71.41 C ATOM 2093 O LEU A 126 -2.962 12.186 0.532 1.00 15.31 O ATOM 2094 CB LEU A 126 -3.506 9.736 2.650 1.00 2.22 C ATOM 2095 CG LEU A 126 -4.094 9.322 4.012 1.00 64.32 C ATOM 2096 CD1 LEU A 126 -3.249 8.226 4.656 1.00 53.20 C ATOM 2097 CD2 LEU A 126 -4.205 10.529 4.941 1.00 71.14 C ATOM 0 H LEU A 126 -5.655 9.098 1.543 1.00 54.43 H new ATOM 0 HA LEU A 126 -4.540 11.612 2.444 1.00 33.23 H new ATOM 0 HB2 LEU A 126 -3.351 8.838 2.051 1.00 2.22 H new ATOM 0 HB3 LEU A 126 -2.525 10.181 2.816 1.00 2.22 H new ATOM 0 HG LEU A 126 -5.095 8.926 3.843 1.00 64.32 H new ATOM 0 HD11 LEU A 126 -3.683 7.949 5.617 1.00 53.20 H new ATOM 0 HD12 LEU A 126 -3.226 7.353 4.003 1.00 53.20 H new ATOM 0 HD13 LEU A 126 -2.234 8.592 4.808 1.00 53.20 H new ATOM 0 HD21 LEU A 126 -4.623 10.215 5.898 1.00 71.14 H new ATOM 0 HD22 LEU A 126 -3.216 10.958 5.100 1.00 71.14 H new ATOM 0 HD23 LEU A 126 -4.856 11.277 4.489 1.00 71.14 H new ATOM 2109 N SER A 127 -3.741 10.330 -0.474 1.00 44.11 N ATOM 2110 CA SER A 127 -3.139 10.642 -1.776 1.00 11.43 C ATOM 2111 C SER A 127 -4.214 10.822 -2.851 1.00 32.15 C ATOM 2112 O SER A 127 -5.362 10.406 -2.683 1.00 42.03 O ATOM 2113 CB SER A 127 -2.179 9.532 -2.216 1.00 23.24 C ATOM 2114 OG SER A 127 -1.331 9.115 -1.157 1.00 2.11 O ATOM 0 H SER A 127 -4.250 9.446 -0.448 1.00 44.11 H new ATOM 0 HA SER A 127 -2.586 11.574 -1.659 1.00 11.43 H new ATOM 0 HB2 SER A 127 -2.752 8.679 -2.579 1.00 23.24 H new ATOM 0 HB3 SER A 127 -1.572 9.886 -3.049 1.00 23.24 H new ATOM 0 HG SER A 127 -1.800 8.458 -0.601 1.00 2.11 H new ATOM 2120 N ASN A 128 -3.834 11.443 -3.964 1.00 13.31 N ATOM 2121 CA ASN A 128 -4.746 11.622 -5.100 1.00 61.01 C ATOM 2122 C ASN A 128 -4.160 10.991 -6.376 1.00 60.10 C ATOM 2123 O ASN A 128 -2.945 10.991 -6.573 1.00 3.22 O ATOM 2124 CB ASN A 128 -5.020 13.112 -5.348 1.00 31.23 C ATOM 2125 CG ASN A 128 -5.332 13.868 -4.073 1.00 11.13 C ATOM 2126 OD1 ASN A 128 -4.323 14.476 -3.492 1.00 22.24 O flip ATOM 2127 ND2 ASN A 128 -6.471 13.919 -3.622 1.00 33.22 N flip ATOM 0 H ASN A 128 -2.902 11.832 -4.108 1.00 13.31 H new ATOM 0 HA ASN A 128 -5.683 11.123 -4.854 1.00 61.01 H new ATOM 0 HB2 ASN A 128 -4.152 13.562 -5.829 1.00 31.23 H new ATOM 0 HB3 ASN A 128 -5.856 13.213 -6.040 1.00 31.23 H new ATOM 0 HD21 ASN A 128 -7.231 13.434 -4.100 1.00 33.22 H new ATOM 0 HD22 ASN A 128 -6.659 14.446 -2.769 1.00 33.22 H new ATOM 2134 N PRO A 129 -5.015 10.454 -7.271 1.00 13.21 N ATOM 2135 CA PRO A 129 -4.560 9.857 -8.542 1.00 44.23 C ATOM 2136 C PRO A 129 -3.833 10.869 -9.443 1.00 2.10 C ATOM 2137 O PRO A 129 -2.921 10.509 -10.191 1.00 44.13 O ATOM 2138 CB PRO A 129 -5.863 9.376 -9.206 1.00 4.23 C ATOM 2139 CG PRO A 129 -6.951 10.145 -8.530 1.00 12.41 C ATOM 2140 CD PRO A 129 -6.480 10.369 -7.120 1.00 54.20 C ATOM 0 HA PRO A 129 -3.835 9.060 -8.376 1.00 44.23 H new ATOM 0 HB2 PRO A 129 -5.853 9.568 -10.279 1.00 4.23 H new ATOM 0 HB3 PRO A 129 -5.999 8.302 -9.075 1.00 4.23 H new ATOM 0 HG2 PRO A 129 -7.133 11.093 -9.037 1.00 12.41 H new ATOM 0 HG3 PRO A 129 -7.889 9.590 -8.545 1.00 12.41 H new ATOM 0 HD2 PRO A 129 -6.896 11.283 -6.696 1.00 54.20 H new ATOM 0 HD3 PRO A 129 -6.771 9.550 -6.462 1.00 54.20 H new ATOM 2148 N ASN A 130 -4.239 12.136 -9.355 1.00 71.22 N ATOM 2149 CA ASN A 130 -3.628 13.206 -10.152 1.00 51.15 C ATOM 2150 C ASN A 130 -2.154 13.414 -9.765 1.00 65.02 C ATOM 2151 O ASN A 130 -1.265 13.345 -10.618 1.00 71.31 O ATOM 2152 CB ASN A 130 -4.420 14.511 -9.981 1.00 24.02 C ATOM 2153 CG ASN A 130 -5.883 14.355 -10.369 1.00 71.35 C ATOM 2154 OD1 ASN A 130 -6.481 13.301 -10.184 1.00 3.25 O ATOM 2155 ND2 ASN A 130 -6.474 15.399 -10.911 1.00 51.34 N ATOM 0 H ASN A 130 -4.990 12.449 -8.739 1.00 71.22 H new ATOM 0 HA ASN A 130 -3.659 12.910 -11.201 1.00 51.15 H new ATOM 0 HB2 ASN A 130 -4.355 14.839 -8.944 1.00 24.02 H new ATOM 0 HB3 ASN A 130 -3.966 15.291 -10.592 1.00 24.02 H new ATOM 0 HD21 ASN A 130 -7.454 15.343 -11.189 1.00 51.34 H new ATOM 0 HD22 ASN A 130 -5.952 16.264 -11.053 1.00 51.34 H new ATOM 2162 N GLU A 131 -1.900 13.661 -8.476 1.00 10.10 N ATOM 2163 CA GLU A 131 -0.527 13.804 -7.972 1.00 2.51 C ATOM 2164 C GLU A 131 0.269 12.497 -8.128 1.00 54.14 C ATOM 2165 O GLU A 131 1.480 12.522 -8.347 1.00 72.13 O ATOM 2166 CB GLU A 131 -0.530 14.248 -6.499 1.00 4.23 C ATOM 2167 CG GLU A 131 -1.220 13.273 -5.548 1.00 41.40 C ATOM 2168 CD GLU A 131 -1.250 13.765 -4.111 1.00 73.41 C ATOM 2169 OE1 GLU A 131 -1.255 14.994 -3.893 1.00 31.14 O ATOM 2170 OE2 GLU A 131 -1.290 12.927 -3.196 1.00 54.31 O ATOM 0 H GLU A 131 -2.623 13.766 -7.764 1.00 10.10 H new ATOM 0 HA GLU A 131 -0.038 14.572 -8.571 1.00 2.51 H new ATOM 0 HB2 GLU A 131 0.500 14.388 -6.172 1.00 4.23 H new ATOM 0 HB3 GLU A 131 -1.022 15.218 -6.425 1.00 4.23 H new ATOM 0 HG2 GLU A 131 -2.241 13.103 -5.889 1.00 41.40 H new ATOM 0 HG3 GLU A 131 -0.707 12.312 -5.586 1.00 41.40 H new ATOM 2177 N LEU A 132 -0.421 11.360 -8.005 1.00 40.43 N ATOM 2178 CA LEU A 132 0.205 10.040 -8.167 1.00 35.34 C ATOM 2179 C LEU A 132 1.016 9.943 -9.471 1.00 3.22 C ATOM 2180 O LEU A 132 2.196 9.584 -9.455 1.00 12.42 O ATOM 2181 CB LEU A 132 -0.872 8.941 -8.139 1.00 75.31 C ATOM 2182 CG LEU A 132 -0.358 7.496 -8.284 1.00 73.32 C ATOM 2183 CD1 LEU A 132 0.575 7.130 -7.131 1.00 12.25 C ATOM 2184 CD2 LEU A 132 -1.525 6.514 -8.362 1.00 25.03 C ATOM 0 H LEU A 132 -1.418 11.325 -7.793 1.00 40.43 H new ATOM 0 HA LEU A 132 0.897 9.900 -7.336 1.00 35.34 H new ATOM 0 HB2 LEU A 132 -1.420 9.019 -7.200 1.00 75.31 H new ATOM 0 HB3 LEU A 132 -1.584 9.136 -8.941 1.00 75.31 H new ATOM 0 HG LEU A 132 0.209 7.432 -9.213 1.00 73.32 H new ATOM 0 HD11 LEU A 132 0.924 6.105 -7.257 1.00 12.25 H new ATOM 0 HD12 LEU A 132 1.430 7.806 -7.126 1.00 12.25 H new ATOM 0 HD13 LEU A 132 0.038 7.217 -6.187 1.00 12.25 H new ATOM 0 HD21 LEU A 132 -1.140 5.499 -8.464 1.00 25.03 H new ATOM 0 HD22 LEU A 132 -2.122 6.586 -7.453 1.00 25.03 H new ATOM 0 HD23 LEU A 132 -2.146 6.755 -9.225 1.00 25.03 H new ATOM 2196 N GLN A 133 0.378 10.274 -10.593 1.00 43.23 N ATOM 2197 CA GLN A 133 1.037 10.219 -11.904 1.00 4.03 C ATOM 2198 C GLN A 133 2.280 11.128 -11.955 1.00 23.14 C ATOM 2199 O GLN A 133 3.317 10.748 -12.511 1.00 62.10 O ATOM 2200 CB GLN A 133 0.043 10.611 -13.006 1.00 31.54 C ATOM 2201 CG GLN A 133 0.616 10.554 -14.422 1.00 1.30 C ATOM 2202 CD GLN A 133 1.130 9.171 -14.803 1.00 32.34 C ATOM 2203 OE1 GLN A 133 0.393 8.338 -15.315 1.00 10.12 O ATOM 2204 NE2 GLN A 133 2.405 8.920 -14.564 1.00 53.44 N ATOM 0 H GLN A 133 -0.594 10.583 -10.624 1.00 43.23 H new ATOM 0 HA GLN A 133 1.373 9.195 -12.068 1.00 4.03 H new ATOM 0 HB2 GLN A 133 -0.822 9.950 -12.950 1.00 31.54 H new ATOM 0 HB3 GLN A 133 -0.315 11.622 -12.812 1.00 31.54 H new ATOM 0 HG2 GLN A 133 -0.154 10.857 -15.132 1.00 1.30 H new ATOM 0 HG3 GLN A 133 1.430 11.274 -14.508 1.00 1.30 H new ATOM 0 HE21 GLN A 133 2.994 9.635 -14.136 1.00 53.44 H new ATOM 0 HE22 GLN A 133 2.800 8.012 -14.807 1.00 53.44 H new ATOM 2213 N ALA A 134 2.173 12.320 -11.368 1.00 2.11 N ATOM 2214 CA ALA A 134 3.292 13.272 -11.319 1.00 53.02 C ATOM 2215 C ALA A 134 4.443 12.739 -10.452 1.00 52.11 C ATOM 2216 O ALA A 134 5.616 12.810 -10.833 1.00 71.53 O ATOM 2217 CB ALA A 134 2.809 14.621 -10.793 1.00 44.33 C ATOM 0 H ALA A 134 1.321 12.654 -10.917 1.00 2.11 H new ATOM 0 HA ALA A 134 3.672 13.400 -12.332 1.00 53.02 H new ATOM 0 HB1 ALA A 134 3.645 15.319 -10.760 1.00 44.33 H new ATOM 0 HB2 ALA A 134 2.035 15.013 -11.453 1.00 44.33 H new ATOM 0 HB3 ALA A 134 2.402 14.496 -9.790 1.00 44.33 H new ATOM 2223 N ALA A 135 4.096 12.200 -9.283 1.00 13.24 N ATOM 2224 CA ALA A 135 5.076 11.595 -8.373 1.00 13.32 C ATOM 2225 C ALA A 135 5.907 10.517 -9.080 1.00 72.14 C ATOM 2226 O ALA A 135 7.141 10.550 -9.074 1.00 34.43 O ATOM 2227 CB ALA A 135 4.363 10.990 -7.171 1.00 51.31 C ATOM 0 H ALA A 135 3.136 12.169 -8.940 1.00 13.24 H new ATOM 0 HA ALA A 135 5.754 12.381 -8.040 1.00 13.32 H new ATOM 0 HB1 ALA A 135 5.096 10.543 -6.500 1.00 51.31 H new ATOM 0 HB2 ALA A 135 3.816 11.770 -6.642 1.00 51.31 H new ATOM 0 HB3 ALA A 135 3.666 10.223 -7.509 1.00 51.31 H new ATOM 2233 N ILE A 136 5.212 9.564 -9.689 1.00 44.40 N ATOM 2234 CA ILE A 136 5.853 8.469 -10.419 1.00 13.21 C ATOM 2235 C ILE A 136 6.703 8.984 -11.593 1.00 23.43 C ATOM 2236 O ILE A 136 7.846 8.563 -11.779 1.00 63.35 O ATOM 2237 CB ILE A 136 4.782 7.487 -10.949 1.00 72.10 C ATOM 2238 CG1 ILE A 136 3.933 6.960 -9.779 1.00 44.43 C ATOM 2239 CG2 ILE A 136 5.427 6.330 -11.716 1.00 74.44 C ATOM 2240 CD1 ILE A 136 2.656 6.273 -10.206 1.00 2.44 C ATOM 0 H ILE A 136 4.193 9.525 -9.693 1.00 44.40 H new ATOM 0 HA ILE A 136 6.516 7.955 -9.723 1.00 13.21 H new ATOM 0 HB ILE A 136 4.134 8.022 -11.643 1.00 72.10 H new ATOM 0 HG12 ILE A 136 4.532 6.261 -9.195 1.00 44.43 H new ATOM 0 HG13 ILE A 136 3.683 7.792 -9.121 1.00 44.43 H new ATOM 0 HG21 ILE A 136 4.651 5.655 -12.077 1.00 74.44 H new ATOM 0 HG22 ILE A 136 5.989 6.723 -12.563 1.00 74.44 H new ATOM 0 HG23 ILE A 136 6.101 5.786 -11.055 1.00 74.44 H new ATOM 0 HD11 ILE A 136 2.115 5.930 -9.324 1.00 2.44 H new ATOM 0 HD12 ILE A 136 2.035 6.974 -10.764 1.00 2.44 H new ATOM 0 HD13 ILE A 136 2.897 5.419 -10.839 1.00 2.44 H new ATOM 2252 N ASP A 137 6.143 9.905 -12.376 1.00 15.32 N ATOM 2253 CA ASP A 137 6.850 10.474 -13.528 1.00 74.44 C ATOM 2254 C ASP A 137 8.162 11.161 -13.103 1.00 31.45 C ATOM 2255 O ASP A 137 9.191 11.030 -13.772 1.00 3.54 O ATOM 2256 CB ASP A 137 5.936 11.457 -14.264 1.00 62.54 C ATOM 2257 CG ASP A 137 6.586 12.027 -15.508 1.00 1.01 C ATOM 2258 OD1 ASP A 137 7.099 11.236 -16.327 1.00 3.14 O ATOM 2259 OD2 ASP A 137 6.583 13.263 -15.679 1.00 74.10 O ATOM 0 H ASP A 137 5.203 10.274 -12.236 1.00 15.32 H new ATOM 0 HA ASP A 137 7.115 9.660 -14.203 1.00 74.44 H new ATOM 0 HB2 ASP A 137 5.010 10.952 -14.540 1.00 62.54 H new ATOM 0 HB3 ASP A 137 5.667 12.272 -13.592 1.00 62.54 H new ATOM 2264 N SER A 138 8.123 11.872 -11.977 1.00 64.54 N ATOM 2265 CA SER A 138 9.324 12.520 -11.427 1.00 24.51 C ATOM 2266 C SER A 138 10.425 11.485 -11.136 1.00 21.33 C ATOM 2267 O SER A 138 11.584 11.677 -11.505 1.00 25.54 O ATOM 2268 CB SER A 138 8.981 13.300 -10.147 1.00 22.13 C ATOM 2269 OG SER A 138 8.018 14.317 -10.403 1.00 64.15 O ATOM 0 H SER A 138 7.277 12.017 -11.425 1.00 64.54 H new ATOM 0 HA SER A 138 9.698 13.219 -12.175 1.00 24.51 H new ATOM 0 HB2 SER A 138 8.596 12.614 -9.393 1.00 22.13 H new ATOM 0 HB3 SER A 138 9.887 13.748 -9.738 1.00 22.13 H new ATOM 0 HG SER A 138 7.144 13.906 -10.568 1.00 64.15 H new ATOM 2275 N ASN A 139 10.044 10.375 -10.497 1.00 14.42 N ATOM 2276 CA ASN A 139 10.984 9.278 -10.210 1.00 52.52 C ATOM 2277 C ASN A 139 11.550 8.658 -11.500 1.00 13.11 C ATOM 2278 O ASN A 139 12.710 8.246 -11.544 1.00 41.32 O ATOM 2279 CB ASN A 139 10.302 8.193 -9.361 1.00 62.12 C ATOM 2280 CG ASN A 139 10.176 8.586 -7.899 1.00 53.44 C ATOM 2281 OD1 ASN A 139 11.045 8.287 -7.088 1.00 33.32 O ATOM 2282 ND2 ASN A 139 9.100 9.257 -7.548 1.00 3.24 N ATOM 0 H ASN A 139 9.093 10.209 -10.167 1.00 14.42 H new ATOM 0 HA ASN A 139 11.817 9.702 -9.649 1.00 52.52 H new ATOM 0 HB2 ASN A 139 9.310 7.991 -9.765 1.00 62.12 H new ATOM 0 HB3 ASN A 139 10.872 7.267 -9.436 1.00 62.12 H new ATOM 0 HD21 ASN A 139 8.971 9.543 -6.577 1.00 3.24 H new ATOM 0 HD22 ASN A 139 8.394 9.491 -8.246 1.00 3.24 H new ATOM 2289 N ARG A 140 10.725 8.594 -12.550 1.00 63.14 N ATOM 2290 CA ARG A 140 11.180 8.087 -13.855 1.00 73.53 C ATOM 2291 C ARG A 140 12.200 9.042 -14.494 1.00 44.25 C ATOM 2292 O ARG A 140 13.069 8.620 -15.257 1.00 1.11 O ATOM 2293 CB ARG A 140 9.995 7.885 -14.812 1.00 54.43 C ATOM 2294 CG ARG A 140 8.938 6.907 -14.307 1.00 25.40 C ATOM 2295 CD ARG A 140 7.877 6.622 -15.367 1.00 60.05 C ATOM 2296 NE ARG A 140 7.238 7.844 -15.859 1.00 53.22 N ATOM 2297 CZ ARG A 140 6.074 7.878 -16.450 1.00 61.35 C ATOM 2298 NH1 ARG A 140 5.383 6.795 -16.627 1.00 64.42 N ATOM 2299 NH2 ARG A 140 5.602 9.002 -16.872 1.00 62.43 N ATOM 0 H ARG A 140 9.747 8.883 -12.526 1.00 63.14 H new ATOM 0 HA ARG A 140 11.660 7.124 -13.679 1.00 73.53 H new ATOM 0 HB2 ARG A 140 9.522 8.850 -14.995 1.00 54.43 H new ATOM 0 HB3 ARG A 140 10.374 7.529 -15.770 1.00 54.43 H new ATOM 0 HG2 ARG A 140 9.418 5.974 -14.013 1.00 25.40 H new ATOM 0 HG3 ARG A 140 8.461 7.315 -13.416 1.00 25.40 H new ATOM 0 HD2 ARG A 140 8.335 6.093 -16.203 1.00 60.05 H new ATOM 0 HD3 ARG A 140 7.118 5.961 -14.949 1.00 60.05 H new ATOM 0 HE ARG A 140 7.734 8.726 -15.732 1.00 53.22 H new ATOM 0 HH11 ARG A 140 5.747 5.899 -16.303 1.00 64.42 H new ATOM 0 HH12 ARG A 140 4.475 6.839 -17.091 1.00 64.42 H new ATOM 0 HH21 ARG A 140 6.138 9.860 -16.744 1.00 62.43 H new ATOM 0 HH22 ARG A 140 4.693 9.032 -17.334 1.00 62.43 H new ATOM 2313 N ARG A 141 12.078 10.332 -14.189 1.00 73.20 N ATOM 2314 CA ARG A 141 13.019 11.342 -14.693 1.00 61.14 C ATOM 2315 C ARG A 141 14.308 11.371 -13.853 1.00 62.53 C ATOM 2316 O ARG A 141 15.388 11.684 -14.361 1.00 2.30 O ATOM 2317 CB ARG A 141 12.362 12.731 -14.702 1.00 74.34 C ATOM 2318 CG ARG A 141 13.278 13.838 -15.216 1.00 50.42 C ATOM 2319 CD ARG A 141 12.575 15.190 -15.275 1.00 23.53 C ATOM 2320 NE ARG A 141 13.452 16.230 -15.811 1.00 63.24 N ATOM 2321 CZ ARG A 141 13.580 16.498 -17.084 1.00 31.23 C ATOM 2322 NH1 ARG A 141 12.886 15.855 -17.971 1.00 13.44 N ATOM 2323 NH2 ARG A 141 14.400 17.418 -17.471 1.00 25.54 N ATOM 0 H ARG A 141 11.338 10.707 -13.596 1.00 73.20 H new ATOM 0 HA ARG A 141 13.285 11.070 -15.714 1.00 61.14 H new ATOM 0 HB2 ARG A 141 11.466 12.696 -15.322 1.00 74.34 H new ATOM 0 HB3 ARG A 141 12.040 12.978 -13.690 1.00 74.34 H new ATOM 0 HG2 ARG A 141 14.152 13.913 -14.569 1.00 50.42 H new ATOM 0 HG3 ARG A 141 13.639 13.575 -16.210 1.00 50.42 H new ATOM 0 HD2 ARG A 141 11.683 15.110 -15.896 1.00 23.53 H new ATOM 0 HD3 ARG A 141 12.243 15.472 -14.276 1.00 23.53 H new ATOM 0 HE ARG A 141 13.999 16.781 -15.150 1.00 63.24 H new ATOM 0 HH11 ARG A 141 12.231 15.130 -17.678 1.00 13.44 H new ATOM 0 HH12 ARG A 141 12.996 16.074 -18.961 1.00 13.44 H new ATOM 0 HH21 ARG A 141 14.948 17.935 -16.783 1.00 25.54 H new ATOM 0 HH22 ARG A 141 14.500 17.627 -18.464 1.00 25.54 H new