USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1292 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: B 44 THR OG1 : rot 3:sc= 1.67 USER MOD Set 1.2: D 53 THR OG1 : rot 55:sc= -1.27 USER MOD Set 2.1: A 3 TYR OH : rot -57:sc= -2.21 USER MOD Set 2.2: D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: B 3 TYR OH : rot -56:sc= -2.4 USER MOD Set 3.2: C 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: B 2 GLN : amide:sc= -0.846 X(o=-0.85,f=-1.2) USER MOD Set 4.2: C 49 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: B 49 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: C 2 GLN : amide:sc= -0.931 X(o=-0.93,f=-1.4) USER MOD Set 6.1: B 53 THR OG1 : rot 59:sc= -1.05 USER MOD Set 6.2: D 44 THR OG1 : rot 7:sc= 1.73 USER MOD Set 7.1: B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: C 3 TYR OH : rot -59:sc= -2.04 USER MOD Set 8.1: A 53 THR OG1 : rot 54:sc= -1.21 USER MOD Set 8.2: C 44 THR OG1 : rot 1:sc= 1.71 USER MOD Set 9.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 9.2: D 3 TYR OH : rot -58:sc= -2.07 USER MOD Set10.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set10.2: D 2 GLN : amide:sc= -0.94 X(o=-0.94,f=-1.4) USER MOD Set11.1: A 44 THR OG1 : rot 8:sc= 1.65 USER MOD Set11.2: C 53 THR OG1 : rot 57:sc= -1.26 USER MOD Set12.1: A 2 GLN : amide:sc= -0.855 X(o=-0.86,f=-1.2) USER MOD Set12.2: D 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 173:sc= -1.99 (180deg=-2.35) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.27 (180deg=1.13) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00634 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -118:sc= 0.597 (180deg=-0.414) USER MOD Single : A 32 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.15) USER MOD Single : A 35 ASN :FLIP amide:sc= -1.95 F(o=-4.5,f=-1.9) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.638 F(o=-1.7,f=-0.64) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.55 USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.345 USER MOD Single : B 1 MET CE :methyl 174:sc= -1.95 (180deg=-2.33) USER MOD Single : B 1 MET N :NH3+ -174:sc= 1.22 (180deg=1.15) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc=-0.00488 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -123:sc= 0.567 (180deg=-0.441) USER MOD Single : B 32 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : B 35 ASN :FLIP amide:sc= -1.91 F(o=-4.5,f=-1.9) USER MOD Single : B 37 ASN :FLIP amide:sc= -0.635 F(o=-1.6!,f=-0.64) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 THR OG1 : rot 160:sc= -1.43 USER MOD Single : B 55 THR OG1 : rot -170:sc= -0.305 USER MOD Single : C 1 MET CE :methyl 171:sc= -2.11 (180deg=-2.51) USER MOD Single : C 1 MET N :NH3+ -176:sc= 1.27 (180deg=1.11) USER MOD Single : C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 25 THR OG1 : rot 180:sc=-0.00319 USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 31 LYS NZ :NH3+ -120:sc= 0.584 (180deg=-0.43) USER MOD Single : C 32 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : C 35 ASN :FLIP amide:sc= -1.92 F(o=-4.6,f=-1.9) USER MOD Single : C 37 ASN :FLIP amide:sc= -0.625 F(o=-1.7,f=-0.63) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 51 THR OG1 : rot 180:sc= -1.56 USER MOD Single : C 55 THR OG1 : rot -170:sc= -0.313 USER MOD Single : D 1 MET CE :methyl 174:sc= -2.02 (180deg=-2.4) USER MOD Single : D 1 MET N :NH3+ -178:sc= 1.27 (180deg=1.17) USER MOD Single : D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 25 THR OG1 : rot 180:sc=-0.00683 USER MOD Single : D 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 31 LYS NZ :NH3+ -121:sc= 0.538 (180deg=-0.401) USER MOD Single : D 32 GLN : amide:sc= -0.088 X(o=-0.088,f=-0.088) USER MOD Single : D 35 ASN :FLIP amide:sc= -1.85 F(o=-4.6,f=-1.9) USER MOD Single : D 37 ASN :FLIP amide:sc= -0.624 F(o=-1.7!,f=-0.62) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 51 THR OG1 : rot 180:sc= -1.56 USER MOD Single : D 55 THR OG1 : rot -170:sc= -0.324 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.318 20.459 -0.686 1.00 0.00 N ATOM 2 CA MET A 1 9.601 19.828 0.454 1.00 0.00 C ATOM 3 C MET A 1 8.114 19.682 0.155 1.00 0.00 C ATOM 4 O MET A 1 7.460 20.633 -0.269 1.00 0.00 O ATOM 5 CB MET A 1 9.812 20.690 1.700 1.00 0.00 C ATOM 6 CG MET A 1 11.020 20.276 2.527 1.00 0.00 C ATOM 7 SD MET A 1 10.583 19.192 3.900 1.00 0.00 S ATOM 8 CE MET A 1 9.523 18.009 3.073 1.00 0.00 C ATOM 0 H1 MET A 1 11.343 20.423 -0.514 1.00 0.00 H new ATOM 0 H2 MET A 1 10.096 19.945 -1.563 1.00 0.00 H new ATOM 0 H3 MET A 1 10.017 21.450 -0.780 1.00 0.00 H new ATOM 0 HA MET A 1 10.000 18.827 0.620 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.929 21.730 1.397 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.920 20.638 2.324 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.739 19.769 1.884 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.512 21.168 2.915 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.272 17.202 3.761 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.609 18.505 2.746 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.042 17.598 2.207 1.00 0.00 H new ATOM 20 N GLN A 2 7.589 18.481 0.379 1.00 0.00 N ATOM 21 CA GLN A 2 6.178 18.205 0.131 1.00 0.00 C ATOM 22 C GLN A 2 5.335 18.499 1.367 1.00 0.00 C ATOM 23 O GLN A 2 5.560 17.929 2.434 1.00 0.00 O ATOM 24 CB GLN A 2 5.992 16.746 -0.291 1.00 0.00 C ATOM 25 CG GLN A 2 4.713 16.496 -1.072 1.00 0.00 C ATOM 26 CD GLN A 2 4.853 15.368 -2.076 1.00 0.00 C ATOM 27 OE1 GLN A 2 4.753 15.581 -3.284 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.087 14.159 -1.578 1.00 0.00 N ATOM 0 H GLN A 2 8.119 17.684 0.732 1.00 0.00 H new ATOM 0 HA GLN A 2 5.843 18.858 -0.675 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.844 16.441 -0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.993 16.116 0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.907 16.260 -0.377 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.426 17.409 -1.594 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.162 14.029 -0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.191 13.361 -2.204 1.00 0.00 H new ATOM 37 N TYR A 3 4.365 19.395 1.214 1.00 0.00 N ATOM 38 CA TYR A 3 3.487 19.769 2.315 1.00 0.00 C ATOM 39 C TYR A 3 2.096 19.169 2.147 1.00 0.00 C ATOM 40 O TYR A 3 1.469 19.302 1.094 1.00 0.00 O ATOM 41 CB TYR A 3 3.389 21.291 2.428 1.00 0.00 C ATOM 42 CG TYR A 3 4.560 21.922 3.148 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.552 22.063 4.530 1.00 0.00 C ATOM 44 CD2 TYR A 3 5.671 22.375 2.448 1.00 0.00 C ATOM 45 CE1 TYR A 3 5.618 22.638 5.194 1.00 0.00 C ATOM 46 CE2 TYR A 3 6.742 22.951 3.106 1.00 0.00 C ATOM 47 CZ TYR A 3 6.710 23.080 4.478 1.00 0.00 C ATOM 48 OH TYR A 3 7.774 23.653 5.136 1.00 0.00 O ATOM 0 H TYR A 3 4.168 19.876 0.336 1.00 0.00 H new ATOM 0 HA TYR A 3 3.920 19.370 3.232 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.316 21.717 1.427 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.469 21.549 2.952 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.698 21.717 5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.699 22.276 1.373 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.596 22.741 6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.599 23.298 2.548 1.00 0.00 H new ATOM 0 HH TYR A 3 7.462 24.425 5.653 1.00 0.00 H new ATOM 58 N LYS A 4 1.626 18.510 3.200 1.00 0.00 N ATOM 59 CA LYS A 4 0.310 17.882 3.188 1.00 0.00 C ATOM 60 C LYS A 4 -0.682 18.675 4.035 1.00 0.00 C ATOM 61 O LYS A 4 -0.381 19.062 5.165 1.00 0.00 O ATOM 62 CB LYS A 4 0.401 16.440 3.697 1.00 0.00 C ATOM 63 CG LYS A 4 0.571 15.415 2.586 1.00 0.00 C ATOM 64 CD LYS A 4 0.112 14.033 3.024 1.00 0.00 C ATOM 65 CE LYS A 4 0.722 12.944 2.154 1.00 0.00 C ATOM 66 NZ LYS A 4 0.638 11.606 2.800 1.00 0.00 N ATOM 0 H LYS A 4 2.138 18.397 4.075 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.049 17.872 2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.241 16.359 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.501 16.205 4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.001 15.728 1.711 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.618 15.373 2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.391 13.868 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.975 13.976 2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.208 12.916 1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.766 13.184 1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.064 10.892 2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.150 11.625 3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.359 11.365 2.971 1.00 0.00 H new ATOM 80 N VAL A 5 -1.863 18.912 3.477 1.00 0.00 N ATOM 81 CA VAL A 5 -2.908 19.658 4.172 1.00 0.00 C ATOM 82 C VAL A 5 -4.282 19.069 3.871 1.00 0.00 C ATOM 83 O VAL A 5 -4.650 18.900 2.709 1.00 0.00 O ATOM 84 CB VAL A 5 -2.899 21.147 3.777 1.00 0.00 C ATOM 85 CG1 VAL A 5 -3.840 21.941 4.669 1.00 0.00 C ATOM 86 CG2 VAL A 5 -1.488 21.712 3.844 1.00 0.00 C ATOM 0 H VAL A 5 -2.123 18.598 2.542 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.702 19.578 5.239 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.250 21.232 2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.821 22.991 4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.854 21.554 4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.521 21.849 5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.504 22.765 3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.105 21.615 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.843 21.162 3.159 1.00 0.00 H new ATOM 96 N ILE A 6 -5.038 18.759 4.919 1.00 0.00 N ATOM 97 CA ILE A 6 -6.370 18.190 4.754 1.00 0.00 C ATOM 98 C ILE A 6 -7.455 19.246 4.943 1.00 0.00 C ATOM 99 O ILE A 6 -7.605 19.809 6.028 1.00 0.00 O ATOM 100 CB ILE A 6 -6.611 17.036 5.747 1.00 0.00 C ATOM 101 CG1 ILE A 6 -5.443 16.048 5.707 1.00 0.00 C ATOM 102 CG2 ILE A 6 -7.920 16.327 5.431 1.00 0.00 C ATOM 103 CD1 ILE A 6 -5.439 15.067 6.859 1.00 0.00 C ATOM 0 H ILE A 6 -4.752 18.892 5.889 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.423 17.804 3.736 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.679 17.451 6.752 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.479 15.494 4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.506 16.605 5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.075 15.515 6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.745 17.036 5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.879 15.922 4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.583 14.398 6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.372 15.612 7.801 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.359 14.483 6.843 1.00 0.00 H new ATOM 115 N LEU A 7 -8.224 19.497 3.888 1.00 0.00 N ATOM 116 CA LEU A 7 -9.309 20.471 3.947 1.00 0.00 C ATOM 117 C LEU A 7 -10.653 19.752 4.007 1.00 0.00 C ATOM 118 O LEU A 7 -10.997 18.983 3.109 1.00 0.00 O ATOM 119 CB LEU A 7 -9.261 21.413 2.738 1.00 0.00 C ATOM 120 CG LEU A 7 -8.496 22.723 2.968 1.00 0.00 C ATOM 121 CD1 LEU A 7 -7.084 22.623 2.414 1.00 0.00 C ATOM 122 CD2 LEU A 7 -9.233 23.900 2.340 1.00 0.00 C ATOM 0 H LEU A 7 -8.116 19.040 2.983 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.188 21.070 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.803 20.884 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.282 21.653 2.442 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.434 22.894 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.558 23.562 2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.554 21.812 2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.127 22.423 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.671 24.817 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.333 23.736 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.223 23.990 2.787 1.00 0.00 H new ATOM 337 N ASP A 22 -12.824 25.204 2.753 1.00 0.00 N ATOM 338 CA ASP A 22 -13.324 24.774 1.453 1.00 0.00 C ATOM 339 C ASP A 22 -12.183 24.520 0.479 1.00 0.00 C ATOM 340 O ASP A 22 -11.194 25.249 0.448 1.00 0.00 O ATOM 341 CB ASP A 22 -14.264 25.833 0.881 1.00 0.00 C ATOM 342 CG ASP A 22 -14.927 25.387 -0.408 1.00 0.00 C ATOM 343 OD1 ASP A 22 -15.764 24.460 -0.355 1.00 0.00 O ATOM 344 OD2 ASP A 22 -14.608 25.962 -1.469 1.00 0.00 O ATOM 0 HA ASP A 22 -13.867 23.839 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -15.032 26.069 1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.704 26.751 0.699 1.00 0.00 H new ATOM 349 N ALA A 23 -12.335 23.473 -0.314 1.00 0.00 N ATOM 350 CA ALA A 23 -11.334 23.097 -1.300 1.00 0.00 C ATOM 351 C ALA A 23 -10.928 24.288 -2.171 1.00 0.00 C ATOM 352 O ALA A 23 -9.749 24.479 -2.470 1.00 0.00 O ATOM 353 CB ALA A 23 -11.883 21.964 -2.147 1.00 0.00 C ATOM 0 H ALA A 23 -13.151 22.862 -0.294 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.433 22.764 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.141 21.673 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.111 21.110 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.792 22.294 -2.651 1.00 0.00 H new ATOM 359 N ALA A 24 -11.914 25.088 -2.568 1.00 0.00 N ATOM 360 CA ALA A 24 -11.665 26.265 -3.396 1.00 0.00 C ATOM 361 C ALA A 24 -10.878 27.328 -2.630 1.00 0.00 C ATOM 362 O ALA A 24 -10.105 28.085 -3.216 1.00 0.00 O ATOM 363 CB ALA A 24 -12.980 26.842 -3.899 1.00 0.00 C ATOM 0 H ALA A 24 -12.895 24.942 -2.329 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.063 25.954 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.781 27.719 -4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.503 26.092 -4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.600 27.129 -3.050 1.00 0.00 H new ATOM 369 N THR A 25 -11.086 27.380 -1.317 1.00 0.00 N ATOM 370 CA THR A 25 -10.404 28.352 -0.464 1.00 0.00 C ATOM 371 C THR A 25 -8.893 28.107 -0.469 1.00 0.00 C ATOM 372 O THR A 25 -8.102 29.049 -0.537 1.00 0.00 O ATOM 373 CB THR A 25 -10.975 28.276 0.964 1.00 0.00 C ATOM 374 OG1 THR A 25 -12.274 28.834 1.009 1.00 0.00 O ATOM 375 CG2 THR A 25 -10.145 28.986 2.016 1.00 0.00 C ATOM 0 H THR A 25 -11.723 26.759 -0.818 1.00 0.00 H new ATOM 0 HA THR A 25 -10.576 29.355 -0.855 1.00 0.00 H new ATOM 0 HB THR A 25 -10.975 27.212 1.200 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.623 28.776 1.923 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.623 28.880 2.990 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.148 28.546 2.051 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.066 30.044 1.764 1.00 0.00 H new ATOM 383 N PHE A 26 -8.503 26.840 -0.421 1.00 0.00 N ATOM 384 CA PHE A 26 -7.090 26.475 -0.441 1.00 0.00 C ATOM 385 C PHE A 26 -6.454 26.821 -1.786 1.00 0.00 C ATOM 386 O PHE A 26 -5.368 27.397 -1.845 1.00 0.00 O ATOM 387 CB PHE A 26 -6.914 24.983 -0.153 1.00 0.00 C ATOM 388 CG PHE A 26 -5.496 24.599 0.161 1.00 0.00 C ATOM 389 CD1 PHE A 26 -4.993 24.746 1.445 1.00 0.00 C ATOM 390 CD2 PHE A 26 -4.666 24.095 -0.826 1.00 0.00 C ATOM 391 CE1 PHE A 26 -3.688 24.396 1.736 1.00 0.00 C ATOM 392 CE2 PHE A 26 -3.359 23.744 -0.541 1.00 0.00 C ATOM 393 CZ PHE A 26 -2.871 23.895 0.742 1.00 0.00 C ATOM 0 H PHE A 26 -9.143 26.048 -0.368 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.588 27.048 0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.552 24.705 0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.255 24.411 -1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.628 25.138 2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.044 23.975 -1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.308 24.514 2.740 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.721 23.353 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.851 23.621 0.968 1.00 0.00 H new ATOM 403 N GLU A 27 -7.140 26.449 -2.862 1.00 0.00 N ATOM 404 CA GLU A 27 -6.657 26.693 -4.219 1.00 0.00 C ATOM 405 C GLU A 27 -6.340 28.167 -4.464 1.00 0.00 C ATOM 406 O GLU A 27 -5.269 28.504 -4.968 1.00 0.00 O ATOM 407 CB GLU A 27 -7.701 26.216 -5.231 1.00 0.00 C ATOM 408 CG GLU A 27 -7.173 26.114 -6.652 1.00 0.00 C ATOM 409 CD GLU A 27 -8.196 26.547 -7.686 1.00 0.00 C ATOM 410 OE1 GLU A 27 -8.578 27.736 -7.682 1.00 0.00 O ATOM 411 OE2 GLU A 27 -8.614 25.696 -8.499 1.00 0.00 O ATOM 0 H GLU A 27 -8.041 25.973 -2.820 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.730 26.133 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.075 25.240 -4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.548 26.902 -5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.280 26.731 -6.749 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.873 25.085 -6.851 1.00 0.00 H new ATOM 418 N LYS A 28 -7.288 29.039 -4.137 1.00 0.00 N ATOM 419 CA LYS A 28 -7.118 30.473 -4.358 1.00 0.00 C ATOM 420 C LYS A 28 -6.029 31.072 -3.469 1.00 0.00 C ATOM 421 O LYS A 28 -5.208 31.861 -3.938 1.00 0.00 O ATOM 422 CB LYS A 28 -8.442 31.199 -4.110 1.00 0.00 C ATOM 423 CG LYS A 28 -8.440 32.646 -4.575 1.00 0.00 C ATOM 424 CD LYS A 28 -9.573 33.436 -3.942 1.00 0.00 C ATOM 425 CE LYS A 28 -10.914 33.082 -4.565 1.00 0.00 C ATOM 426 NZ LYS A 28 -12.056 33.584 -3.750 1.00 0.00 N ATOM 0 H LYS A 28 -8.181 28.780 -3.719 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.807 30.606 -5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.242 30.663 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.669 31.169 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.486 33.109 -4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.533 32.681 -5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.604 33.236 -2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.385 34.503 -4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.971 33.504 -5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.991 32.000 -4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.952 33.322 -4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.017 33.162 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.997 34.619 -3.671 1.00 0.00 H new ATOM 440 N VAL A 29 -6.024 30.709 -2.192 1.00 0.00 N ATOM 441 CA VAL A 29 -5.032 31.232 -1.255 1.00 0.00 C ATOM 442 C VAL A 29 -3.608 30.836 -1.640 1.00 0.00 C ATOM 443 O VAL A 29 -2.688 31.644 -1.537 1.00 0.00 O ATOM 444 CB VAL A 29 -5.312 30.750 0.186 1.00 0.00 C ATOM 445 CG1 VAL A 29 -4.270 31.295 1.162 1.00 0.00 C ATOM 446 CG2 VAL A 29 -6.714 31.153 0.616 1.00 0.00 C ATOM 0 H VAL A 29 -6.692 30.057 -1.781 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.116 32.318 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.243 29.662 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.493 30.939 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.279 30.950 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.294 32.385 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.896 30.806 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.808 32.238 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.444 30.703 -0.057 1.00 0.00 H new ATOM 456 N VAL A 30 -3.428 29.592 -2.068 1.00 0.00 N ATOM 457 CA VAL A 30 -2.105 29.101 -2.437 1.00 0.00 C ATOM 458 C VAL A 30 -1.575 29.777 -3.695 1.00 0.00 C ATOM 459 O VAL A 30 -0.425 30.216 -3.730 1.00 0.00 O ATOM 460 CB VAL A 30 -2.096 27.570 -2.631 1.00 0.00 C ATOM 461 CG1 VAL A 30 -0.682 27.063 -2.880 1.00 0.00 C ATOM 462 CG2 VAL A 30 -2.708 26.875 -1.424 1.00 0.00 C ATOM 0 H VAL A 30 -4.177 28.907 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.447 29.353 -1.606 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.700 27.335 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.702 25.981 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.280 27.532 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.051 27.312 -2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.693 25.796 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.133 27.121 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.738 27.209 -1.295 1.00 0.00 H new ATOM 472 N LYS A 31 -2.403 29.864 -4.728 1.00 0.00 N ATOM 473 CA LYS A 31 -1.990 30.492 -5.974 1.00 0.00 C ATOM 474 C LYS A 31 -1.659 31.964 -5.758 1.00 0.00 C ATOM 475 O LYS A 31 -0.635 32.458 -6.228 1.00 0.00 O ATOM 476 CB LYS A 31 -3.099 30.353 -7.021 1.00 0.00 C ATOM 477 CG LYS A 31 -2.759 30.977 -8.364 1.00 0.00 C ATOM 478 CD LYS A 31 -3.488 30.279 -9.502 1.00 0.00 C ATOM 479 CE LYS A 31 -3.013 28.846 -9.670 1.00 0.00 C ATOM 480 NZ LYS A 31 -3.155 28.374 -11.075 1.00 0.00 N ATOM 0 H LYS A 31 -3.359 29.509 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.092 29.988 -6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.316 29.295 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.008 30.815 -6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.025 32.034 -8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.683 30.921 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.561 30.288 -9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.327 30.828 -10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.969 28.772 -9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.584 28.194 -9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.813 27.569 -11.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.524 29.147 -11.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.227 28.076 -11.437 1.00 0.00 H new ATOM 494 N GLN A 32 -2.529 32.658 -5.038 1.00 0.00 N ATOM 495 CA GLN A 32 -2.331 34.073 -4.754 1.00 0.00 C ATOM 496 C GLN A 32 -1.110 34.307 -3.868 1.00 0.00 C ATOM 497 O GLN A 32 -0.354 35.255 -4.083 1.00 0.00 O ATOM 498 CB GLN A 32 -3.575 34.661 -4.090 1.00 0.00 C ATOM 499 CG GLN A 32 -3.536 36.175 -3.958 1.00 0.00 C ATOM 500 CD GLN A 32 -3.460 36.873 -5.302 1.00 0.00 C ATOM 501 OE1 GLN A 32 -2.383 37.271 -5.747 1.00 0.00 O ATOM 502 NE2 GLN A 32 -4.606 37.029 -5.952 1.00 0.00 N ATOM 0 H GLN A 32 -3.381 32.263 -4.639 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.157 34.576 -5.705 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.454 34.378 -4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.690 34.221 -3.099 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.425 36.513 -3.426 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.675 36.462 -3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.475 36.683 -5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.618 37.495 -6.859 1.00 0.00 H new ATOM 511 N PHE A 33 -0.918 33.448 -2.872 1.00 0.00 N ATOM 512 CA PHE A 33 0.210 33.557 -1.951 1.00 0.00 C ATOM 513 C PHE A 33 1.557 33.267 -2.621 1.00 0.00 C ATOM 514 O PHE A 33 2.505 34.040 -2.479 1.00 0.00 O ATOM 515 CB PHE A 33 -0.056 32.636 -0.742 1.00 0.00 C ATOM 516 CG PHE A 33 1.154 32.183 0.029 1.00 0.00 C ATOM 517 CD1 PHE A 33 2.031 33.082 0.607 1.00 0.00 C ATOM 518 CD2 PHE A 33 1.383 30.826 0.191 1.00 0.00 C ATOM 519 CE1 PHE A 33 3.128 32.633 1.325 1.00 0.00 C ATOM 520 CE2 PHE A 33 2.472 30.371 0.906 1.00 0.00 C ATOM 521 CZ PHE A 33 3.347 31.274 1.472 1.00 0.00 C ATOM 0 H PHE A 33 -1.536 32.660 -2.680 1.00 0.00 H new ATOM 0 HA PHE A 33 0.289 34.589 -1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.724 33.156 -0.056 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.587 31.752 -1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.860 34.143 0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.700 30.115 -0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.811 33.342 1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.639 29.310 1.022 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.202 30.921 2.029 1.00 0.00 H new ATOM 531 N PHE A 34 1.641 32.157 -3.343 1.00 0.00 N ATOM 532 CA PHE A 34 2.883 31.783 -4.014 1.00 0.00 C ATOM 533 C PHE A 34 3.157 32.581 -5.291 1.00 0.00 C ATOM 534 O PHE A 34 4.316 32.827 -5.625 1.00 0.00 O ATOM 535 CB PHE A 34 2.936 30.277 -4.257 1.00 0.00 C ATOM 536 CG PHE A 34 3.389 29.540 -3.030 1.00 0.00 C ATOM 537 CD1 PHE A 34 4.698 29.674 -2.591 1.00 0.00 C ATOM 538 CD2 PHE A 34 2.518 28.749 -2.298 1.00 0.00 C ATOM 539 CE1 PHE A 34 5.132 29.030 -1.450 1.00 0.00 C ATOM 540 CE2 PHE A 34 2.947 28.107 -1.150 1.00 0.00 C ATOM 541 CZ PHE A 34 4.257 28.248 -0.726 1.00 0.00 C ATOM 0 H PHE A 34 0.871 31.503 -3.480 1.00 0.00 H new ATOM 0 HA PHE A 34 3.693 32.049 -3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.950 29.920 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.615 30.064 -5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.387 30.291 -3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.496 28.633 -2.626 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.156 29.138 -1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.259 27.496 -0.584 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.593 27.747 0.170 1.00 0.00 H new ATOM 551 N ASN A 35 2.108 33.002 -5.995 1.00 0.00 N ATOM 552 CA ASN A 35 2.289 33.791 -7.217 1.00 0.00 C ATOM 553 C ASN A 35 3.148 35.031 -6.953 1.00 0.00 C ATOM 554 O ASN A 35 3.883 35.490 -7.829 1.00 0.00 O ATOM 555 CB ASN A 35 0.938 34.191 -7.824 1.00 0.00 C ATOM 556 CG ASN A 35 0.319 33.104 -8.697 1.00 0.00 C ATOM 557 OD1 ASN A 35 0.604 31.837 -8.405 1.00 0.00 O flip ATOM 558 ND2 ASN A 35 -0.409 33.409 -9.642 1.00 0.00 N flip ATOM 0 H ASN A 35 1.136 32.815 -5.747 1.00 0.00 H new ATOM 0 HA ASN A 35 2.812 33.163 -7.938 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.246 34.438 -7.019 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.069 35.094 -8.420 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.607 34.390 -9.837 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.814 32.680 -10.229 1.00 0.00 H new ATOM 565 N ASP A 36 3.056 35.557 -5.739 1.00 0.00 N ATOM 566 CA ASP A 36 3.826 36.730 -5.333 1.00 0.00 C ATOM 567 C ASP A 36 5.337 36.467 -5.388 1.00 0.00 C ATOM 568 O ASP A 36 6.134 37.406 -5.389 1.00 0.00 O ATOM 569 CB ASP A 36 3.422 37.166 -3.925 1.00 0.00 C ATOM 570 CG ASP A 36 2.130 37.958 -3.912 1.00 0.00 C ATOM 571 OD1 ASP A 36 1.107 37.435 -4.404 1.00 0.00 O ATOM 572 OD2 ASP A 36 2.139 39.102 -3.411 1.00 0.00 O ATOM 0 H ASP A 36 2.448 35.186 -5.009 1.00 0.00 H new ATOM 0 HA ASP A 36 3.602 37.530 -6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.311 36.285 -3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.219 37.770 -3.492 1.00 0.00 H new ATOM 577 N ASN A 37 5.726 35.191 -5.418 1.00 0.00 N ATOM 578 CA ASN A 37 7.145 34.826 -5.459 1.00 0.00 C ATOM 579 C ASN A 37 7.577 34.386 -6.859 1.00 0.00 C ATOM 580 O ASN A 37 8.767 34.396 -7.173 1.00 0.00 O ATOM 581 CB ASN A 37 7.456 33.706 -4.462 1.00 0.00 C ATOM 582 CG ASN A 37 6.703 33.845 -3.155 1.00 0.00 C ATOM 583 OD1 ASN A 37 5.780 32.924 -2.911 1.00 0.00 O flip ATOM 584 ND2 ASN A 37 6.951 34.764 -2.373 1.00 0.00 N flip ATOM 0 H ASN A 37 5.085 34.398 -5.415 1.00 0.00 H new ATOM 0 HA ASN A 37 7.705 35.720 -5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.210 32.746 -4.915 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.527 33.697 -4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.670 35.450 -2.603 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.437 34.839 -1.495 1.00 0.00 H new ATOM 591 N GLY A 38 6.615 34.001 -7.695 1.00 0.00 N ATOM 592 CA GLY A 38 6.940 33.568 -9.045 1.00 0.00 C ATOM 593 C GLY A 38 6.407 32.183 -9.383 1.00 0.00 C ATOM 594 O GLY A 38 6.836 31.576 -10.363 1.00 0.00 O ATOM 0 H GLY A 38 5.622 33.981 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.535 34.288 -9.756 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.023 33.572 -9.169 1.00 0.00 H new ATOM 598 N VAL A 39 5.467 31.679 -8.583 1.00 0.00 N ATOM 599 CA VAL A 39 4.886 30.365 -8.831 1.00 0.00 C ATOM 600 C VAL A 39 3.677 30.487 -9.753 1.00 0.00 C ATOM 601 O VAL A 39 2.917 31.451 -9.660 1.00 0.00 O ATOM 602 CB VAL A 39 4.459 29.676 -7.518 1.00 0.00 C ATOM 603 CG1 VAL A 39 3.970 28.258 -7.782 1.00 0.00 C ATOM 604 CG2 VAL A 39 5.610 29.672 -6.524 1.00 0.00 C ATOM 0 H VAL A 39 5.095 32.159 -7.763 1.00 0.00 H new ATOM 0 HA VAL A 39 5.653 29.754 -9.307 1.00 0.00 H new ATOM 0 HB VAL A 39 3.632 30.241 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.675 27.794 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.114 28.288 -8.456 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.771 27.676 -8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.294 29.183 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.456 29.132 -6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.906 30.698 -6.306 1.00 0.00 H new ATOM 614 N ASP A 40 3.505 29.519 -10.647 1.00 0.00 N ATOM 615 CA ASP A 40 2.385 29.541 -11.582 1.00 0.00 C ATOM 616 C ASP A 40 2.044 28.137 -12.068 1.00 0.00 C ATOM 617 O ASP A 40 2.650 27.154 -11.642 1.00 0.00 O ATOM 618 CB ASP A 40 2.713 30.437 -12.780 1.00 0.00 C ATOM 619 CG ASP A 40 2.973 31.875 -12.375 1.00 0.00 C ATOM 620 OD1 ASP A 40 2.007 32.567 -11.990 1.00 0.00 O ATOM 621 OD2 ASP A 40 4.142 32.308 -12.442 1.00 0.00 O ATOM 0 H ASP A 40 4.123 28.713 -10.744 1.00 0.00 H new ATOM 0 HA ASP A 40 1.519 29.942 -11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.590 30.044 -13.295 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.886 30.406 -13.490 1.00 0.00 H new ATOM 626 N GLY A 41 1.067 28.056 -12.967 1.00 0.00 N ATOM 627 CA GLY A 41 0.650 26.774 -13.505 1.00 0.00 C ATOM 628 C GLY A 41 -0.803 26.468 -13.199 1.00 0.00 C ATOM 629 O GLY A 41 -1.639 27.371 -13.164 1.00 0.00 O ATOM 0 H GLY A 41 0.555 28.859 -13.333 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.801 26.769 -14.585 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.280 25.986 -13.091 1.00 0.00 H new ATOM 633 N GLU A 42 -1.106 25.194 -12.973 1.00 0.00 N ATOM 634 CA GLU A 42 -2.471 24.779 -12.669 1.00 0.00 C ATOM 635 C GLU A 42 -2.479 23.567 -11.745 1.00 0.00 C ATOM 636 O GLU A 42 -1.515 22.803 -11.695 1.00 0.00 O ATOM 637 CB GLU A 42 -3.230 24.465 -13.958 1.00 0.00 C ATOM 638 CG GLU A 42 -3.696 25.706 -14.704 1.00 0.00 C ATOM 639 CD GLU A 42 -4.789 25.405 -15.710 1.00 0.00 C ATOM 640 OE1 GLU A 42 -5.653 24.553 -15.411 1.00 0.00 O ATOM 641 OE2 GLU A 42 -4.783 26.021 -16.796 1.00 0.00 O ATOM 0 H GLU A 42 -0.427 24.433 -12.994 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.970 25.602 -12.157 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.589 23.876 -14.614 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.096 23.847 -13.719 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.060 26.441 -13.987 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.847 26.156 -15.219 1.00 0.00 H new ATOM 648 N TRP A 43 -3.577 23.398 -11.014 1.00 0.00 N ATOM 649 CA TRP A 43 -3.716 22.282 -10.087 1.00 0.00 C ATOM 650 C TRP A 43 -3.936 20.971 -10.826 1.00 0.00 C ATOM 651 O TRP A 43 -4.900 20.819 -11.578 1.00 0.00 O ATOM 652 CB TRP A 43 -4.867 22.537 -9.115 1.00 0.00 C ATOM 653 CG TRP A 43 -4.524 23.530 -8.048 1.00 0.00 C ATOM 654 CD1 TRP A 43 -4.738 24.877 -8.083 1.00 0.00 C ATOM 655 CD2 TRP A 43 -3.900 23.254 -6.789 1.00 0.00 C ATOM 656 NE1 TRP A 43 -4.288 25.457 -6.922 1.00 0.00 N ATOM 657 CE2 TRP A 43 -3.769 24.482 -6.110 1.00 0.00 C ATOM 658 CE3 TRP A 43 -3.441 22.089 -6.168 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -3.199 24.575 -4.843 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -2.876 22.184 -4.909 1.00 0.00 C ATOM 661 CH2 TRP A 43 -2.759 23.419 -4.259 1.00 0.00 C ATOM 0 H TRP A 43 -4.384 24.021 -11.047 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.786 22.200 -9.524 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.733 22.895 -9.672 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.156 21.595 -8.648 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.195 25.410 -8.904 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.333 26.452 -6.700 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.526 21.132 -6.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.108 25.526 -4.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.519 21.290 -4.419 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.312 23.459 -3.277 1.00 0.00 H new ATOM 672 N THR A 44 -3.034 20.027 -10.597 1.00 0.00 N ATOM 673 CA THR A 44 -3.117 18.720 -11.226 1.00 0.00 C ATOM 674 C THR A 44 -3.397 17.648 -10.184 1.00 0.00 C ATOM 675 O THR A 44 -2.824 17.655 -9.094 1.00 0.00 O ATOM 676 CB THR A 44 -1.819 18.402 -11.968 1.00 0.00 C ATOM 677 OG1 THR A 44 -0.724 18.368 -11.070 1.00 0.00 O ATOM 678 CG2 THR A 44 -1.492 19.402 -13.056 1.00 0.00 C ATOM 0 H THR A 44 -2.233 20.145 -9.977 1.00 0.00 H new ATOM 0 HA THR A 44 -3.937 18.735 -11.944 1.00 0.00 H new ATOM 0 HB THR A 44 -1.980 17.428 -12.430 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.054 18.431 -10.149 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.559 19.118 -13.543 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.296 19.415 -13.792 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.385 20.394 -12.618 1.00 0.00 H new ATOM 686 N TYR A 45 -4.273 16.721 -10.534 1.00 0.00 N ATOM 687 CA TYR A 45 -4.630 15.628 -9.640 1.00 0.00 C ATOM 688 C TYR A 45 -3.463 14.660 -9.483 1.00 0.00 C ATOM 689 O TYR A 45 -2.729 14.398 -10.436 1.00 0.00 O ATOM 690 CB TYR A 45 -5.862 14.887 -10.161 1.00 0.00 C ATOM 691 CG TYR A 45 -7.164 15.585 -9.836 1.00 0.00 C ATOM 692 CD1 TYR A 45 -7.776 15.409 -8.601 1.00 0.00 C ATOM 693 CD2 TYR A 45 -7.779 16.418 -10.761 1.00 0.00 C ATOM 694 CE1 TYR A 45 -8.965 16.043 -8.298 1.00 0.00 C ATOM 695 CE2 TYR A 45 -8.968 17.058 -10.465 1.00 0.00 C ATOM 696 CZ TYR A 45 -9.557 16.867 -9.232 1.00 0.00 C ATOM 697 OH TYR A 45 -10.741 17.502 -8.933 1.00 0.00 O ATOM 0 H TYR A 45 -4.753 16.702 -11.434 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.865 16.051 -8.663 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.779 14.774 -11.242 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.880 13.883 -9.736 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.314 14.766 -7.866 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.321 16.568 -11.727 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.429 15.894 -7.334 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.433 17.704 -11.195 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.023 18.046 -9.698 1.00 0.00 H new ATOM 707 N ASP A 46 -3.290 14.135 -8.274 1.00 0.00 N ATOM 708 CA ASP A 46 -2.205 13.202 -7.997 1.00 0.00 C ATOM 709 C ASP A 46 -2.473 11.852 -8.656 1.00 0.00 C ATOM 710 O ASP A 46 -3.615 11.522 -8.977 1.00 0.00 O ATOM 711 CB ASP A 46 -2.037 13.011 -6.488 1.00 0.00 C ATOM 712 CG ASP A 46 -1.782 14.316 -5.761 1.00 0.00 C ATOM 713 OD1 ASP A 46 -2.363 15.344 -6.167 1.00 0.00 O ATOM 714 OD2 ASP A 46 -1.003 14.310 -4.786 1.00 0.00 O ATOM 0 H ASP A 46 -3.886 14.340 -7.472 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.287 13.620 -8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.934 12.543 -6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.209 12.328 -6.302 1.00 0.00 H new ATOM 719 N ASP A 47 -1.413 11.077 -8.859 1.00 0.00 N ATOM 720 CA ASP A 47 -1.537 9.764 -9.484 1.00 0.00 C ATOM 721 C ASP A 47 -2.321 8.811 -8.587 1.00 0.00 C ATOM 722 O ASP A 47 -2.051 8.707 -7.391 1.00 0.00 O ATOM 723 CB ASP A 47 -0.153 9.183 -9.778 1.00 0.00 C ATOM 724 CG ASP A 47 0.704 9.074 -8.532 1.00 0.00 C ATOM 725 OD1 ASP A 47 0.760 10.058 -7.763 1.00 0.00 O ATOM 726 OD2 ASP A 47 1.319 8.007 -8.326 1.00 0.00 O ATOM 0 H ASP A 47 -0.460 11.334 -8.601 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.079 9.883 -10.422 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.264 8.196 -10.227 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.354 9.811 -10.511 1.00 0.00 H new ATOM 731 N ALA A 48 -3.300 8.124 -9.172 1.00 0.00 N ATOM 732 CA ALA A 48 -4.135 7.187 -8.428 1.00 0.00 C ATOM 733 C ALA A 48 -3.298 6.130 -7.712 1.00 0.00 C ATOM 734 O ALA A 48 -2.293 5.653 -8.238 1.00 0.00 O ATOM 735 CB ALA A 48 -5.134 6.522 -9.362 1.00 0.00 C ATOM 0 H ALA A 48 -3.534 8.200 -10.162 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.673 7.753 -7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.752 5.825 -8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.768 7.282 -9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.598 5.982 -10.142 1.00 0.00 H new ATOM 741 N THR A 49 -3.726 5.772 -6.505 1.00 0.00 N ATOM 742 CA THR A 49 -3.026 4.775 -5.702 1.00 0.00 C ATOM 743 C THR A 49 -4.015 3.811 -5.054 1.00 0.00 C ATOM 744 O THR A 49 -5.188 4.141 -4.875 1.00 0.00 O ATOM 745 CB THR A 49 -2.180 5.460 -4.630 1.00 0.00 C ATOM 746 OG1 THR A 49 -1.415 6.512 -5.190 1.00 0.00 O ATOM 747 CG2 THR A 49 -1.222 4.519 -3.932 1.00 0.00 C ATOM 0 H THR A 49 -4.558 6.160 -6.060 1.00 0.00 H new ATOM 0 HA THR A 49 -2.370 4.204 -6.360 1.00 0.00 H new ATOM 0 HB THR A 49 -2.894 5.837 -3.897 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.882 6.939 -4.487 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.652 5.069 -3.183 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.784 3.722 -3.446 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.538 4.087 -4.663 1.00 0.00 H new ATOM 755 N LYS A 50 -3.540 2.617 -4.710 1.00 0.00 N ATOM 756 CA LYS A 50 -4.391 1.608 -4.087 1.00 0.00 C ATOM 757 C LYS A 50 -3.857 1.205 -2.716 1.00 0.00 C ATOM 758 O LYS A 50 -2.693 0.830 -2.574 1.00 0.00 O ATOM 759 CB LYS A 50 -4.497 0.377 -4.988 1.00 0.00 C ATOM 760 CG LYS A 50 -5.587 0.484 -6.042 1.00 0.00 C ATOM 761 CD LYS A 50 -5.392 -0.539 -7.150 1.00 0.00 C ATOM 762 CE LYS A 50 -5.863 -0.001 -8.492 1.00 0.00 C ATOM 763 NZ LYS A 50 -5.567 -0.948 -9.603 1.00 0.00 N ATOM 0 H LYS A 50 -2.573 2.325 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.382 2.042 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.539 0.217 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.687 -0.500 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.561 0.336 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.586 1.488 -6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.338 -0.811 -7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.941 -1.449 -6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.936 0.188 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.378 0.955 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.903 -0.545 -10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.541 -1.109 -9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.050 -1.852 -9.427 1.00 0.00 H new ATOM 777 N THR A 51 -4.724 1.284 -1.710 1.00 0.00 N ATOM 778 CA THR A 51 -4.359 0.929 -0.343 1.00 0.00 C ATOM 779 C THR A 51 -5.159 -0.288 0.124 1.00 0.00 C ATOM 780 O THR A 51 -6.383 -0.324 -0.008 1.00 0.00 O ATOM 781 CB THR A 51 -4.594 2.127 0.587 1.00 0.00 C ATOM 782 OG1 THR A 51 -3.726 3.194 0.246 1.00 0.00 O ATOM 783 CG2 THR A 51 -4.376 1.818 2.054 1.00 0.00 C ATOM 0 H THR A 51 -5.690 1.593 -1.818 1.00 0.00 H new ATOM 0 HA THR A 51 -3.301 0.668 -0.314 1.00 0.00 H new ATOM 0 HB THR A 51 -5.642 2.394 0.447 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.888 3.952 0.846 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.561 2.714 2.646 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.061 1.029 2.365 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.349 1.488 2.208 1.00 0.00 H new ATOM 791 N PHE A 52 -4.462 -1.285 0.665 1.00 0.00 N ATOM 792 CA PHE A 52 -5.110 -2.502 1.148 1.00 0.00 C ATOM 793 C PHE A 52 -5.705 -2.306 2.539 1.00 0.00 C ATOM 794 O PHE A 52 -4.989 -1.991 3.489 1.00 0.00 O ATOM 795 CB PHE A 52 -4.118 -3.667 1.172 1.00 0.00 C ATOM 796 CG PHE A 52 -4.776 -5.011 1.310 1.00 0.00 C ATOM 797 CD1 PHE A 52 -5.393 -5.610 0.224 1.00 0.00 C ATOM 798 CD2 PHE A 52 -4.777 -5.673 2.528 1.00 0.00 C ATOM 799 CE1 PHE A 52 -5.999 -6.846 0.350 1.00 0.00 C ATOM 800 CE2 PHE A 52 -5.383 -6.908 2.660 1.00 0.00 C ATOM 801 CZ PHE A 52 -5.994 -7.496 1.569 1.00 0.00 C ATOM 0 H PHE A 52 -3.449 -1.274 0.780 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.921 -2.734 0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.529 -3.652 0.255 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.423 -3.525 1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.401 -5.106 -0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.299 -5.219 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.476 -7.303 -0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.379 -7.413 3.615 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.467 -8.462 1.669 1.00 0.00 H new ATOM 811 N THR A 53 -7.012 -2.512 2.656 1.00 0.00 N ATOM 812 CA THR A 53 -7.693 -2.377 3.939 1.00 0.00 C ATOM 813 C THR A 53 -7.837 -3.743 4.601 1.00 0.00 C ATOM 814 O THR A 53 -8.419 -4.662 4.026 1.00 0.00 O ATOM 815 CB THR A 53 -9.068 -1.730 3.750 1.00 0.00 C ATOM 816 OG1 THR A 53 -8.939 -0.443 3.174 1.00 0.00 O ATOM 817 CG2 THR A 53 -9.845 -1.575 5.041 1.00 0.00 C ATOM 0 H THR A 53 -7.620 -2.773 1.880 1.00 0.00 H new ATOM 0 HA THR A 53 -7.096 -1.734 4.585 1.00 0.00 H new ATOM 0 HB THR A 53 -9.616 -2.408 3.095 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.421 -0.506 2.344 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.809 -1.110 4.832 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.005 -2.556 5.489 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.282 -0.948 5.732 1.00 0.00 H new ATOM 825 N VAL A 54 -7.299 -3.877 5.810 1.00 0.00 N ATOM 826 CA VAL A 54 -7.367 -5.141 6.535 1.00 0.00 C ATOM 827 C VAL A 54 -8.784 -5.425 7.016 1.00 0.00 C ATOM 828 O VAL A 54 -9.586 -4.508 7.194 1.00 0.00 O ATOM 829 CB VAL A 54 -6.419 -5.166 7.750 1.00 0.00 C ATOM 830 CG1 VAL A 54 -6.249 -6.589 8.261 1.00 0.00 C ATOM 831 CG2 VAL A 54 -5.068 -4.555 7.404 1.00 0.00 C ATOM 0 H VAL A 54 -6.813 -3.130 6.306 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.055 -5.912 5.830 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.866 -4.564 8.541 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.577 -6.590 9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.219 -6.987 8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.829 -7.212 7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.420 -4.586 8.280 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.610 -5.121 6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.206 -3.520 7.091 1.00 0.00 H new ATOM 841 N THR A 55 -9.083 -6.701 7.224 1.00 0.00 N ATOM 842 CA THR A 55 -10.404 -7.111 7.686 1.00 0.00 C ATOM 843 C THR A 55 -10.316 -8.363 8.550 1.00 0.00 C ATOM 844 O THR A 55 -10.537 -8.313 9.761 1.00 0.00 O ATOM 845 CB THR A 55 -11.330 -7.361 6.493 1.00 0.00 C ATOM 846 OG1 THR A 55 -11.392 -6.218 5.660 1.00 0.00 O ATOM 847 CG2 THR A 55 -12.745 -7.711 6.898 1.00 0.00 C ATOM 0 H THR A 55 -8.429 -7.470 7.080 1.00 0.00 H new ATOM 0 HA THR A 55 -10.815 -6.304 8.293 1.00 0.00 H new ATOM 0 HB THR A 55 -10.899 -8.212 5.965 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.103 -6.335 4.996 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.349 -7.876 6.006 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.737 -8.618 7.503 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.171 -6.892 7.478 1.00 0.00 H new ATOM 855 N GLU A 56 -9.991 -9.482 7.919 1.00 0.00 N ATOM 856 CA GLU A 56 -9.871 -10.753 8.624 1.00 0.00 C ATOM 857 C GLU A 56 -8.408 -11.089 8.896 1.00 0.00 C ATOM 858 O GLU A 56 -8.143 -12.188 9.427 1.00 0.00 O ATOM 859 CB GLU A 56 -10.521 -11.875 7.810 1.00 0.00 C ATOM 860 CG GLU A 56 -12.030 -11.951 7.976 1.00 0.00 C ATOM 861 CD GLU A 56 -12.604 -13.264 7.481 1.00 0.00 C ATOM 862 OE1 GLU A 56 -12.371 -13.607 6.304 1.00 0.00 O ATOM 863 OE2 GLU A 56 -13.289 -13.947 8.270 1.00 0.00 O ATOM 864 OXT GLU A 56 -7.540 -10.251 8.575 1.00 0.00 O ATOM 0 H GLU A 56 -9.805 -9.537 6.918 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.387 -10.660 9.579 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.287 -11.730 6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.083 -12.828 8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.283 -11.821 9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.494 -11.128 7.433 1.00 0.00 H new ATOM 872 N MET B 1 -10.196 16.687 2.075 1.00 0.00 N ATOM 873 CA MET B 1 -9.376 16.673 0.837 1.00 0.00 C ATOM 874 C MET B 1 -7.904 16.917 1.148 1.00 0.00 C ATOM 875 O MET B 1 -7.558 17.863 1.857 1.00 0.00 O ATOM 876 CB MET B 1 -9.906 17.749 -0.112 1.00 0.00 C ATOM 877 CG MET B 1 -10.960 17.239 -1.081 1.00 0.00 C ATOM 878 SD MET B 1 -10.271 16.792 -2.687 1.00 0.00 S ATOM 879 CE MET B 1 -8.860 15.807 -2.189 1.00 0.00 C ATOM 0 H1 MET B 1 -11.174 16.418 1.846 1.00 0.00 H new ATOM 0 H2 MET B 1 -9.802 16.011 2.760 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.187 17.642 2.487 1.00 0.00 H new ATOM 0 HA MET B 1 -9.451 15.692 0.368 1.00 0.00 H new ATOM 0 HB2 MET B 1 -10.329 18.564 0.476 1.00 0.00 H new ATOM 0 HB3 MET B 1 -9.073 18.164 -0.679 1.00 0.00 H new ATOM 0 HG2 MET B 1 -11.455 16.370 -0.648 1.00 0.00 H new ATOM 0 HG3 MET B 1 -11.723 18.005 -1.218 1.00 0.00 H new ATOM 0 HE1 MET B 1 -8.392 15.369 -3.071 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.139 16.440 -1.672 1.00 0.00 H new ATOM 0 HE3 MET B 1 -9.189 15.012 -1.520 1.00 0.00 H new ATOM 891 N GLN B 2 -7.042 16.057 0.614 1.00 0.00 N ATOM 892 CA GLN B 2 -5.605 16.175 0.838 1.00 0.00 C ATOM 893 C GLN B 2 -4.957 17.058 -0.221 1.00 0.00 C ATOM 894 O GLN B 2 -5.039 16.776 -1.417 1.00 0.00 O ATOM 895 CB GLN B 2 -4.955 14.790 0.831 1.00 0.00 C ATOM 896 CG GLN B 2 -3.628 14.736 1.570 1.00 0.00 C ATOM 897 CD GLN B 2 -3.364 13.381 2.196 1.00 0.00 C ATOM 898 OE1 GLN B 2 -3.282 13.254 3.418 1.00 0.00 O ATOM 899 NE2 GLN B 2 -3.231 12.358 1.359 1.00 0.00 N ATOM 0 H GLN B 2 -7.313 15.271 0.023 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.451 16.639 1.812 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.642 14.074 1.282 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -4.799 14.476 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -2.821 14.976 0.878 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.618 15.500 2.348 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -3.306 12.509 0.353 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -3.053 11.422 1.722 1.00 0.00 H new ATOM 908 N TYR B 3 -4.308 18.130 0.227 1.00 0.00 N ATOM 909 CA TYR B 3 -3.643 19.057 -0.679 1.00 0.00 C ATOM 910 C TYR B 3 -2.127 18.900 -0.626 1.00 0.00 C ATOM 911 O TYR B 3 -1.523 18.914 0.448 1.00 0.00 O ATOM 912 CB TYR B 3 -4.030 20.499 -0.343 1.00 0.00 C ATOM 913 CG TYR B 3 -5.371 20.913 -0.904 1.00 0.00 C ATOM 914 CD1 TYR B 3 -5.473 21.441 -2.185 1.00 0.00 C ATOM 915 CD2 TYR B 3 -6.533 20.775 -0.155 1.00 0.00 C ATOM 916 CE1 TYR B 3 -6.697 21.821 -2.704 1.00 0.00 C ATOM 917 CE2 TYR B 3 -7.760 21.151 -0.669 1.00 0.00 C ATOM 918 CZ TYR B 3 -7.836 21.674 -1.942 1.00 0.00 C ATOM 919 OH TYR B 3 -9.055 22.051 -2.457 1.00 0.00 O ATOM 0 H TYR B 3 -4.230 18.377 1.214 1.00 0.00 H new ATOM 0 HA TYR B 3 -3.972 18.822 -1.691 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -4.046 20.619 0.740 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.262 21.171 -0.726 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.582 21.556 -2.785 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.477 20.368 0.844 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -6.760 22.231 -3.701 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.655 21.035 -0.076 1.00 0.00 H new ATOM 0 HH TYR B 3 -9.016 22.990 -2.736 1.00 0.00 H new ATOM 929 N LYS B 4 -1.525 18.750 -1.801 1.00 0.00 N ATOM 930 CA LYS B 4 -0.080 18.588 -1.910 1.00 0.00 C ATOM 931 C LYS B 4 0.574 19.858 -2.448 1.00 0.00 C ATOM 932 O LYS B 4 0.116 20.439 -3.432 1.00 0.00 O ATOM 933 CB LYS B 4 0.256 17.399 -2.814 1.00 0.00 C ATOM 934 CG LYS B 4 0.468 16.101 -2.052 1.00 0.00 C ATOM 935 CD LYS B 4 1.312 15.117 -2.847 1.00 0.00 C ATOM 936 CE LYS B 4 1.115 13.691 -2.355 1.00 0.00 C ATOM 937 NZ LYS B 4 1.585 12.689 -3.350 1.00 0.00 N ATOM 0 H LYS B 4 -2.018 18.737 -2.694 1.00 0.00 H new ATOM 0 HA LYS B 4 0.314 18.397 -0.912 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.550 17.261 -3.535 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.157 17.628 -3.383 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.955 16.313 -1.100 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -0.498 15.651 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.048 15.179 -3.903 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.364 15.389 -2.765 1.00 0.00 H new ATOM 0 HE2 LYS B 4 1.655 13.553 -1.418 1.00 0.00 H new ATOM 0 HE3 LYS B 4 0.059 13.523 -2.142 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 1.433 11.731 -2.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.053 12.803 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.599 12.832 -3.534 1.00 0.00 H new ATOM 951 N VAL B 5 1.647 20.282 -1.789 1.00 0.00 N ATOM 952 CA VAL B 5 2.373 21.482 -2.192 1.00 0.00 C ATOM 953 C VAL B 5 3.873 21.291 -2.007 1.00 0.00 C ATOM 954 O VAL B 5 4.331 20.922 -0.926 1.00 0.00 O ATOM 955 CB VAL B 5 1.920 22.715 -1.386 1.00 0.00 C ATOM 956 CG1 VAL B 5 2.523 23.985 -1.967 1.00 0.00 C ATOM 957 CG2 VAL B 5 0.400 22.806 -1.353 1.00 0.00 C ATOM 0 H VAL B 5 2.034 19.811 -0.971 1.00 0.00 H new ATOM 0 HA VAL B 5 2.152 21.651 -3.246 1.00 0.00 H new ATOM 0 HB VAL B 5 2.277 22.605 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL B 5 2.192 24.845 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL B 5 3.611 23.920 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL B 5 2.200 24.101 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL B 5 0.100 23.683 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL B 5 0.018 22.890 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -0.008 21.910 -0.886 1.00 0.00 H new ATOM 967 N ILE B 6 4.639 21.545 -3.065 1.00 0.00 N ATOM 968 CA ILE B 6 6.088 21.398 -3.007 1.00 0.00 C ATOM 969 C ILE B 6 6.782 22.749 -2.837 1.00 0.00 C ATOM 970 O ILE B 6 6.697 23.615 -3.707 1.00 0.00 O ATOM 971 CB ILE B 6 6.630 20.711 -4.277 1.00 0.00 C ATOM 972 CG1 ILE B 6 5.831 19.442 -4.575 1.00 0.00 C ATOM 973 CG2 ILE B 6 8.108 20.386 -4.117 1.00 0.00 C ATOM 974 CD1 ILE B 6 6.076 18.882 -5.959 1.00 0.00 C ATOM 0 H ILE B 6 4.281 21.852 -3.969 1.00 0.00 H new ATOM 0 HA ILE B 6 6.306 20.775 -2.139 1.00 0.00 H new ATOM 0 HB ILE B 6 6.519 21.396 -5.117 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.083 18.682 -3.835 1.00 0.00 H new ATOM 0 HG13 ILE B 6 4.768 19.657 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE B 6 8.474 19.902 -5.022 1.00 0.00 H new ATOM 0 HG22 ILE B 6 8.667 21.306 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE B 6 8.243 19.717 -3.267 1.00 0.00 H new ATOM 0 HD11 ILE B 6 5.476 17.983 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE B 6 5.797 19.625 -6.707 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.132 18.635 -6.070 1.00 0.00 H new ATOM 986 N LEU B 7 7.484 22.914 -1.719 1.00 0.00 N ATOM 987 CA LEU B 7 8.210 24.150 -1.446 1.00 0.00 C ATOM 988 C LEU B 7 9.707 23.934 -1.650 1.00 0.00 C ATOM 989 O LEU B 7 10.310 23.075 -1.007 1.00 0.00 O ATOM 990 CB LEU B 7 7.929 24.640 -0.019 1.00 0.00 C ATOM 991 CG LEU B 7 6.783 25.653 0.105 1.00 0.00 C ATOM 992 CD1 LEU B 7 5.501 24.962 0.544 1.00 0.00 C ATOM 993 CD2 LEU B 7 7.147 26.767 1.080 1.00 0.00 C ATOM 0 H LEU B 7 7.565 22.207 -0.988 1.00 0.00 H new ATOM 0 HA LEU B 7 7.867 24.915 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.701 23.777 0.607 1.00 0.00 H new ATOM 0 HB3 LEU B 7 8.838 25.091 0.380 1.00 0.00 H new ATOM 0 HG LEU B 7 6.618 26.097 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.701 25.698 0.626 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.225 24.206 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.657 24.486 1.512 1.00 0.00 H new ATOM 0 HD21 LEU B 7 6.319 27.473 1.151 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.345 26.340 2.063 1.00 0.00 H new ATOM 0 HD23 LEU B 7 8.037 27.286 0.724 1.00 0.00 H new ATOM 1208 N ASP B 22 10.169 29.181 1.195 1.00 0.00 N ATOM 1209 CA ASP B 22 10.806 28.575 2.362 1.00 0.00 C ATOM 1210 C ASP B 22 9.840 27.715 3.165 1.00 0.00 C ATOM 1211 O ASP B 22 8.676 28.062 3.349 1.00 0.00 O ATOM 1212 CB ASP B 22 11.387 29.667 3.261 1.00 0.00 C ATOM 1213 CG ASP B 22 12.212 29.103 4.399 1.00 0.00 C ATOM 1214 OD1 ASP B 22 13.297 28.546 4.126 1.00 0.00 O ATOM 1215 OD2 ASP B 22 11.775 29.217 5.564 1.00 0.00 O ATOM 0 HA ASP B 22 11.602 27.925 1.997 1.00 0.00 H new ATOM 0 HB2 ASP B 22 12.007 30.334 2.662 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.574 30.268 3.669 1.00 0.00 H new ATOM 1220 N ALA B 23 10.345 26.585 3.634 1.00 0.00 N ATOM 1221 CA ALA B 23 9.556 25.650 4.423 1.00 0.00 C ATOM 1222 C ALA B 23 8.843 26.355 5.579 1.00 0.00 C ATOM 1223 O ALA B 23 7.677 26.078 5.864 1.00 0.00 O ATOM 1224 CB ALA B 23 10.467 24.550 4.936 1.00 0.00 C ATOM 0 H ALA B 23 11.309 26.290 3.480 1.00 0.00 H new ATOM 0 HA ALA B 23 8.781 25.217 3.791 1.00 0.00 H new ATOM 0 HB1 ALA B 23 9.886 23.843 5.529 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.920 24.030 4.092 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.250 24.986 5.556 1.00 0.00 H new ATOM 1230 N ALA B 24 9.551 27.267 6.239 1.00 0.00 N ATOM 1231 CA ALA B 24 8.989 28.017 7.359 1.00 0.00 C ATOM 1232 C ALA B 24 7.874 28.955 6.896 1.00 0.00 C ATOM 1233 O ALA B 24 6.934 29.231 7.640 1.00 0.00 O ATOM 1234 CB ALA B 24 10.082 28.803 8.068 1.00 0.00 C ATOM 0 H ALA B 24 10.518 27.505 6.017 1.00 0.00 H new ATOM 0 HA ALA B 24 8.556 27.302 8.059 1.00 0.00 H new ATOM 0 HB1 ALA B 24 9.650 29.358 8.901 1.00 0.00 H new ATOM 0 HB2 ALA B 24 10.839 28.115 8.444 1.00 0.00 H new ATOM 0 HB3 ALA B 24 10.541 29.500 7.367 1.00 0.00 H new ATOM 1240 N THR B 25 7.993 29.445 5.665 1.00 0.00 N ATOM 1241 CA THR B 25 7.003 30.357 5.099 1.00 0.00 C ATOM 1242 C THR B 25 5.645 29.663 4.962 1.00 0.00 C ATOM 1243 O THR B 25 4.603 30.250 5.259 1.00 0.00 O ATOM 1244 CB THR B 25 7.499 30.878 3.738 1.00 0.00 C ATOM 1245 OG1 THR B 25 8.556 31.804 3.917 1.00 0.00 O ATOM 1246 CG2 THR B 25 6.441 31.565 2.897 1.00 0.00 C ATOM 0 H THR B 25 8.767 29.225 5.039 1.00 0.00 H new ATOM 0 HA THR B 25 6.873 31.205 5.771 1.00 0.00 H new ATOM 0 HB THR B 25 7.818 29.982 3.206 1.00 0.00 H new ATOM 0 HG1 THR B 25 8.862 32.125 3.043 1.00 0.00 H new ATOM 0 HG21 THR B 25 6.883 31.898 1.958 1.00 0.00 H new ATOM 0 HG22 THR B 25 5.631 30.866 2.689 1.00 0.00 H new ATOM 0 HG23 THR B 25 6.048 32.426 3.438 1.00 0.00 H new ATOM 1254 N PHE B 26 5.669 28.406 4.536 1.00 0.00 N ATOM 1255 CA PHE B 26 4.442 27.629 4.383 1.00 0.00 C ATOM 1256 C PHE B 26 3.795 27.358 5.739 1.00 0.00 C ATOM 1257 O PHE B 26 2.586 27.525 5.910 1.00 0.00 O ATOM 1258 CB PHE B 26 4.726 26.307 3.669 1.00 0.00 C ATOM 1259 CG PHE B 26 3.484 25.608 3.192 1.00 0.00 C ATOM 1260 CD1 PHE B 26 2.900 25.955 1.983 1.00 0.00 C ATOM 1261 CD2 PHE B 26 2.900 24.608 3.952 1.00 0.00 C ATOM 1262 CE1 PHE B 26 1.756 25.318 1.542 1.00 0.00 C ATOM 1263 CE2 PHE B 26 1.756 23.966 3.516 1.00 0.00 C ATOM 1264 CZ PHE B 26 1.184 24.322 2.310 1.00 0.00 C ATOM 0 H PHE B 26 6.522 27.903 4.291 1.00 0.00 H new ATOM 0 HA PHE B 26 3.750 28.215 3.778 1.00 0.00 H new ATOM 0 HB2 PHE B 26 5.378 26.496 2.816 1.00 0.00 H new ATOM 0 HB3 PHE B 26 5.269 25.647 4.345 1.00 0.00 H new ATOM 0 HD1 PHE B 26 3.345 26.732 1.379 1.00 0.00 H new ATOM 0 HD2 PHE B 26 3.343 24.327 4.896 1.00 0.00 H new ATOM 0 HE1 PHE B 26 1.310 25.598 0.599 1.00 0.00 H new ATOM 0 HE2 PHE B 26 1.310 23.187 4.117 1.00 0.00 H new ATOM 0 HZ PHE B 26 0.290 23.822 1.968 1.00 0.00 H new ATOM 1274 N GLU B 27 4.612 26.925 6.693 1.00 0.00 N ATOM 1275 CA GLU B 27 4.142 26.606 8.039 1.00 0.00 C ATOM 1276 C GLU B 27 3.394 27.772 8.684 1.00 0.00 C ATOM 1277 O GLU B 27 2.295 27.598 9.212 1.00 0.00 O ATOM 1278 CB GLU B 27 5.329 26.208 8.919 1.00 0.00 C ATOM 1279 CG GLU B 27 4.927 25.545 10.226 1.00 0.00 C ATOM 1280 CD GLU B 27 5.808 25.964 11.387 1.00 0.00 C ATOM 1281 OE1 GLU B 27 5.793 27.161 11.743 1.00 0.00 O ATOM 1282 OE2 GLU B 27 6.513 25.095 11.941 1.00 0.00 O ATOM 0 H GLU B 27 5.613 26.785 6.558 1.00 0.00 H new ATOM 0 HA GLU B 27 3.442 25.775 7.952 1.00 0.00 H new ATOM 0 HB2 GLU B 27 5.972 25.528 8.360 1.00 0.00 H new ATOM 0 HB3 GLU B 27 5.920 27.097 9.140 1.00 0.00 H new ATOM 0 HG2 GLU B 27 3.891 25.795 10.452 1.00 0.00 H new ATOM 0 HG3 GLU B 27 4.976 24.462 10.110 1.00 0.00 H new ATOM 1289 N LYS B 28 4.006 28.950 8.666 1.00 0.00 N ATOM 1290 CA LYS B 28 3.409 30.133 9.281 1.00 0.00 C ATOM 1291 C LYS B 28 2.146 30.592 8.554 1.00 0.00 C ATOM 1292 O LYS B 28 1.143 30.913 9.192 1.00 0.00 O ATOM 1293 CB LYS B 28 4.427 31.275 9.314 1.00 0.00 C ATOM 1294 CG LYS B 28 3.997 32.449 10.177 1.00 0.00 C ATOM 1295 CD LYS B 28 4.794 33.702 9.850 1.00 0.00 C ATOM 1296 CE LYS B 28 6.209 33.621 10.402 1.00 0.00 C ATOM 1297 NZ LYS B 28 7.092 34.670 9.822 1.00 0.00 N ATOM 0 H LYS B 28 4.915 29.113 8.233 1.00 0.00 H new ATOM 0 HA LYS B 28 3.122 29.858 10.296 1.00 0.00 H new ATOM 0 HB2 LYS B 28 5.378 30.892 9.684 1.00 0.00 H new ATOM 0 HB3 LYS B 28 4.599 31.627 8.297 1.00 0.00 H new ATOM 0 HG2 LYS B 28 2.935 32.643 10.027 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.129 32.196 11.229 1.00 0.00 H new ATOM 0 HD2 LYS B 28 4.831 33.840 8.769 1.00 0.00 H new ATOM 0 HD3 LYS B 28 4.289 34.574 10.265 1.00 0.00 H new ATOM 0 HE2 LYS B 28 6.182 33.728 11.486 1.00 0.00 H new ATOM 0 HE3 LYS B 28 6.626 32.637 10.189 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 8.047 34.581 10.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 7.138 34.553 8.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 6.708 35.610 10.047 1.00 0.00 H new ATOM 1311 N VAL B 29 2.194 30.630 7.228 1.00 0.00 N ATOM 1312 CA VAL B 29 1.045 31.064 6.436 1.00 0.00 C ATOM 1313 C VAL B 29 -0.165 30.152 6.624 1.00 0.00 C ATOM 1314 O VAL B 29 -1.295 30.626 6.713 1.00 0.00 O ATOM 1315 CB VAL B 29 1.392 31.130 4.931 1.00 0.00 C ATOM 1316 CG1 VAL B 29 0.186 31.580 4.107 1.00 0.00 C ATOM 1317 CG2 VAL B 29 2.576 32.056 4.701 1.00 0.00 C ATOM 0 H VAL B 29 3.012 30.367 6.678 1.00 0.00 H new ATOM 0 HA VAL B 29 0.790 32.060 6.797 1.00 0.00 H new ATOM 0 HB VAL B 29 1.666 30.128 4.601 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.459 31.617 3.052 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.633 30.874 4.245 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.130 32.570 4.435 1.00 0.00 H new ATOM 0 HG21 VAL B 29 2.808 32.092 3.637 1.00 0.00 H new ATOM 0 HG22 VAL B 29 2.328 33.058 5.052 1.00 0.00 H new ATOM 0 HG23 VAL B 29 3.441 31.683 5.249 1.00 0.00 H new ATOM 1327 N VAL B 30 0.072 28.845 6.668 1.00 0.00 N ATOM 1328 CA VAL B 30 -1.014 27.883 6.819 1.00 0.00 C ATOM 1329 C VAL B 30 -1.668 27.969 8.193 1.00 0.00 C ATOM 1330 O VAL B 30 -2.895 28.003 8.298 1.00 0.00 O ATOM 1331 CB VAL B 30 -0.537 26.438 6.565 1.00 0.00 C ATOM 1332 CG1 VAL B 30 -1.710 25.466 6.590 1.00 0.00 C ATOM 1333 CG2 VAL B 30 0.203 26.346 5.237 1.00 0.00 C ATOM 0 H VAL B 30 1.001 28.429 6.602 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.757 28.145 6.066 1.00 0.00 H new ATOM 0 HB VAL B 30 0.150 26.162 7.365 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.348 24.454 6.408 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.197 25.508 7.564 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -2.426 25.740 5.815 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.532 25.320 5.074 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.463 26.646 4.428 1.00 0.00 H new ATOM 0 HG23 VAL B 30 1.070 27.006 5.257 1.00 0.00 H new ATOM 1343 N LYS B 31 -0.861 28.007 9.244 1.00 0.00 N ATOM 1344 CA LYS B 31 -1.389 28.089 10.598 1.00 0.00 C ATOM 1345 C LYS B 31 -2.171 29.382 10.800 1.00 0.00 C ATOM 1346 O LYS B 31 -3.276 29.376 11.343 1.00 0.00 O ATOM 1347 CB LYS B 31 -0.243 28.009 11.610 1.00 0.00 C ATOM 1348 CG LYS B 31 -0.695 28.082 13.059 1.00 0.00 C ATOM 1349 CD LYS B 31 0.270 27.352 13.980 1.00 0.00 C ATOM 1350 CE LYS B 31 0.276 25.857 13.706 1.00 0.00 C ATOM 1351 NZ LYS B 31 0.622 25.071 14.923 1.00 0.00 N ATOM 0 H LYS B 31 0.157 27.982 9.186 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.068 27.250 10.753 1.00 0.00 H new ATOM 0 HB2 LYS B 31 0.301 27.077 11.456 1.00 0.00 H new ATOM 0 HB3 LYS B 31 0.457 28.822 11.417 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -0.773 29.125 13.365 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -1.690 27.647 13.154 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.275 27.752 13.846 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -0.009 27.532 15.018 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -0.705 25.551 13.343 1.00 0.00 H new ATOM 0 HE3 LYS B 31 0.992 25.636 12.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.451 24.475 14.727 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 0.839 25.721 15.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -0.183 24.468 15.187 1.00 0.00 H new ATOM 1365 N GLN B 32 -1.596 30.488 10.350 1.00 0.00 N ATOM 1366 CA GLN B 32 -2.239 31.790 10.477 1.00 0.00 C ATOM 1367 C GLN B 32 -3.513 31.876 9.640 1.00 0.00 C ATOM 1368 O GLN B 32 -4.516 32.434 10.084 1.00 0.00 O ATOM 1369 CB GLN B 32 -1.272 32.901 10.067 1.00 0.00 C ATOM 1370 CG GLN B 32 -1.787 34.298 10.374 1.00 0.00 C ATOM 1371 CD GLN B 32 -2.016 34.521 11.856 1.00 0.00 C ATOM 1372 OE1 GLN B 32 -3.140 34.416 12.346 1.00 0.00 O ATOM 1373 NE2 GLN B 32 -0.946 34.834 12.579 1.00 0.00 N ATOM 0 H GLN B 32 -0.684 30.511 9.893 1.00 0.00 H new ATOM 0 HA GLN B 32 -2.516 31.918 11.523 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -0.322 32.752 10.580 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -1.073 32.823 8.998 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -1.072 35.034 10.006 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -2.721 34.463 9.837 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -0.033 34.910 12.131 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -1.038 34.998 13.582 1.00 0.00 H new ATOM 1382 N PHE B 33 -3.472 31.326 8.428 1.00 0.00 N ATOM 1383 CA PHE B 33 -4.622 31.338 7.528 1.00 0.00 C ATOM 1384 C PHE B 33 -5.776 30.462 8.023 1.00 0.00 C ATOM 1385 O PHE B 33 -6.925 30.907 8.062 1.00 0.00 O ATOM 1386 CB PHE B 33 -4.140 30.935 6.118 1.00 0.00 C ATOM 1387 CG PHE B 33 -5.183 30.369 5.194 1.00 0.00 C ATOM 1388 CD1 PHE B 33 -6.325 31.076 4.860 1.00 0.00 C ATOM 1389 CD2 PHE B 33 -4.988 29.116 4.637 1.00 0.00 C ATOM 1390 CE1 PHE B 33 -7.260 30.535 3.992 1.00 0.00 C ATOM 1391 CE2 PHE B 33 -5.914 28.570 3.772 1.00 0.00 C ATOM 1392 CZ PHE B 33 -7.053 29.278 3.451 1.00 0.00 C ATOM 0 H PHE B 33 -2.648 30.863 8.045 1.00 0.00 H new ATOM 0 HA PHE B 33 -5.036 32.346 7.497 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -3.702 31.812 5.643 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.343 30.199 6.226 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -6.489 32.058 5.279 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -4.097 28.558 4.884 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.149 31.093 3.738 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -5.747 27.591 3.348 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.783 28.852 2.778 1.00 0.00 H new ATOM 1402 N PHE B 34 -5.477 29.223 8.391 1.00 0.00 N ATOM 1403 CA PHE B 34 -6.506 28.305 8.867 1.00 0.00 C ATOM 1404 C PHE B 34 -6.955 28.575 10.305 1.00 0.00 C ATOM 1405 O PHE B 34 -8.116 28.342 10.640 1.00 0.00 O ATOM 1406 CB PHE B 34 -6.076 26.854 8.662 1.00 0.00 C ATOM 1407 CG PHE B 34 -6.337 26.400 7.255 1.00 0.00 C ATOM 1408 CD1 PHE B 34 -7.641 26.240 6.814 1.00 0.00 C ATOM 1409 CD2 PHE B 34 -5.300 26.164 6.368 1.00 0.00 C ATOM 1410 CE1 PHE B 34 -7.909 25.850 5.517 1.00 0.00 C ATOM 1411 CE2 PHE B 34 -5.563 25.780 5.063 1.00 0.00 C ATOM 1412 CZ PHE B 34 -6.871 25.622 4.640 1.00 0.00 C ATOM 0 H PHE B 34 -4.536 28.831 8.370 1.00 0.00 H new ATOM 0 HA PHE B 34 -7.390 28.489 8.256 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -5.015 26.752 8.888 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.614 26.211 9.359 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -8.459 26.423 7.495 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.278 26.280 6.696 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -8.931 25.724 5.190 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -4.748 25.604 4.377 1.00 0.00 H new ATOM 0 HZ PHE B 34 -7.078 25.320 3.624 1.00 0.00 H new ATOM 1422 N ASN B 35 -6.057 29.079 11.148 1.00 0.00 N ATOM 1423 CA ASN B 35 -6.417 29.386 12.537 1.00 0.00 C ATOM 1424 C ASN B 35 -7.629 30.318 12.602 1.00 0.00 C ATOM 1425 O ASN B 35 -8.428 30.251 13.537 1.00 0.00 O ATOM 1426 CB ASN B 35 -5.230 29.993 13.295 1.00 0.00 C ATOM 1427 CG ASN B 35 -4.263 28.951 13.846 1.00 0.00 C ATOM 1428 OD1 ASN B 35 -4.153 27.798 13.189 1.00 0.00 O flip ATOM 1429 ND2 ASN B 35 -3.622 29.182 14.872 1.00 0.00 N flip ATOM 0 H ASN B 35 -5.088 29.282 10.903 1.00 0.00 H new ATOM 0 HA ASN B 35 -6.685 28.447 13.021 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.688 30.663 12.628 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.607 30.599 14.119 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -3.730 30.076 15.351 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -2.983 28.479 15.243 1.00 0.00 H new ATOM 1436 N ASP B 36 -7.763 31.172 11.596 1.00 0.00 N ATOM 1437 CA ASP B 36 -8.878 32.112 11.510 1.00 0.00 C ATOM 1438 C ASP B 36 -10.228 31.389 11.416 1.00 0.00 C ATOM 1439 O ASP B 36 -11.276 31.990 11.649 1.00 0.00 O ATOM 1440 CB ASP B 36 -8.698 33.038 10.307 1.00 0.00 C ATOM 1441 CG ASP B 36 -7.720 34.164 10.585 1.00 0.00 C ATOM 1442 OD1 ASP B 36 -6.562 33.868 10.949 1.00 0.00 O ATOM 1443 OD2 ASP B 36 -8.112 35.341 10.438 1.00 0.00 O ATOM 0 H ASP B 36 -7.106 31.235 10.818 1.00 0.00 H new ATOM 0 HA ASP B 36 -8.879 32.703 12.426 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -8.346 32.457 9.454 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -9.664 33.460 10.029 1.00 0.00 H new ATOM 1448 N ASN B 37 -10.199 30.102 11.061 1.00 0.00 N ATOM 1449 CA ASN B 37 -11.430 29.319 10.928 1.00 0.00 C ATOM 1450 C ASN B 37 -11.637 28.384 12.119 1.00 0.00 C ATOM 1451 O ASN B 37 -12.756 27.933 12.369 1.00 0.00 O ATOM 1452 CB ASN B 37 -11.423 28.493 9.638 1.00 0.00 C ATOM 1453 CG ASN B 37 -10.815 29.229 8.462 1.00 0.00 C ATOM 1454 OD1 ASN B 37 -9.665 28.753 8.005 1.00 0.00 O flip ATOM 1455 ND2 ASN B 37 -11.375 30.209 7.967 1.00 0.00 N flip ATOM 0 H ASN B 37 -9.344 29.583 10.862 1.00 0.00 H new ATOM 0 HA ASN B 37 -12.252 30.034 10.896 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -10.867 27.571 9.808 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -12.446 28.208 9.391 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -12.260 30.540 8.353 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -10.954 30.689 7.172 1.00 0.00 H new ATOM 1462 N GLY B 38 -10.565 28.091 12.852 1.00 0.00 N ATOM 1463 CA GLY B 38 -10.675 27.210 14.003 1.00 0.00 C ATOM 1464 C GLY B 38 -9.722 26.024 13.951 1.00 0.00 C ATOM 1465 O GLY B 38 -9.893 25.059 14.696 1.00 0.00 O ATOM 0 H GLY B 38 -9.626 28.446 12.671 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -10.481 27.783 14.910 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -11.698 26.841 14.072 1.00 0.00 H new ATOM 1469 N VAL B 39 -8.711 26.092 13.086 1.00 0.00 N ATOM 1470 CA VAL B 39 -7.739 25.012 12.972 1.00 0.00 C ATOM 1471 C VAL B 39 -6.586 25.237 13.945 1.00 0.00 C ATOM 1472 O VAL B 39 -6.170 26.373 14.169 1.00 0.00 O ATOM 1473 CB VAL B 39 -7.181 24.897 11.538 1.00 0.00 C ATOM 1474 CG1 VAL B 39 -6.264 23.689 11.406 1.00 0.00 C ATOM 1475 CG2 VAL B 39 -8.320 24.823 10.532 1.00 0.00 C ATOM 0 H VAL B 39 -8.546 26.879 12.459 1.00 0.00 H new ATOM 0 HA VAL B 39 -8.254 24.082 13.216 1.00 0.00 H new ATOM 0 HB VAL B 39 -6.591 25.789 11.327 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -5.884 23.630 10.386 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -5.429 23.789 12.099 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -6.822 22.782 11.638 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -7.911 24.742 9.525 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.937 23.950 10.744 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -8.929 25.724 10.605 1.00 0.00 H new ATOM 1485 N ASP B 40 -6.077 24.156 14.530 1.00 0.00 N ATOM 1486 CA ASP B 40 -4.977 24.260 15.482 1.00 0.00 C ATOM 1487 C ASP B 40 -4.191 22.954 15.559 1.00 0.00 C ATOM 1488 O ASP B 40 -4.479 21.999 14.837 1.00 0.00 O ATOM 1489 CB ASP B 40 -5.510 24.624 16.869 1.00 0.00 C ATOM 1490 CG ASP B 40 -6.224 25.962 16.884 1.00 0.00 C ATOM 1491 OD1 ASP B 40 -5.540 27.000 16.764 1.00 0.00 O ATOM 1492 OD2 ASP B 40 -7.466 25.970 17.017 1.00 0.00 O ATOM 0 H ASP B 40 -6.406 23.205 14.363 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.307 25.046 15.135 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -6.195 23.846 17.207 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -4.682 24.650 17.578 1.00 0.00 H new ATOM 1497 N GLY B 41 -3.198 22.926 16.440 1.00 0.00 N ATOM 1498 CA GLY B 41 -2.376 21.739 16.604 1.00 0.00 C ATOM 1499 C GLY B 41 -0.917 22.003 16.290 1.00 0.00 C ATOM 1500 O GLY B 41 -0.408 23.091 16.555 1.00 0.00 O ATOM 0 H GLY B 41 -2.946 23.706 17.046 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -2.465 21.376 17.628 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -2.749 20.949 15.952 1.00 0.00 H new ATOM 1504 N GLU B 42 -0.243 21.008 15.723 1.00 0.00 N ATOM 1505 CA GLU B 42 1.165 21.146 15.375 1.00 0.00 C ATOM 1506 C GLU B 42 1.509 20.315 14.144 1.00 0.00 C ATOM 1507 O GLU B 42 0.830 19.337 13.833 1.00 0.00 O ATOM 1508 CB GLU B 42 2.046 20.726 16.553 1.00 0.00 C ATOM 1509 CG GLU B 42 2.138 21.778 17.647 1.00 0.00 C ATOM 1510 CD GLU B 42 3.318 21.557 18.571 1.00 0.00 C ATOM 1511 OE1 GLU B 42 4.388 21.141 18.080 1.00 0.00 O ATOM 1512 OE2 GLU B 42 3.173 21.801 19.788 1.00 0.00 O ATOM 0 H GLU B 42 -0.648 20.100 15.496 1.00 0.00 H new ATOM 0 HA GLU B 42 1.354 22.194 15.144 1.00 0.00 H new ATOM 0 HB2 GLU B 42 1.653 19.803 16.980 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.049 20.506 16.186 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.218 22.765 17.191 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.218 21.771 18.231 1.00 0.00 H new ATOM 1519 N TRP B 43 2.566 20.716 13.446 1.00 0.00 N ATOM 1520 CA TRP B 43 3.003 20.014 12.246 1.00 0.00 C ATOM 1521 C TRP B 43 3.655 18.684 12.587 1.00 0.00 C ATOM 1522 O TRP B 43 4.652 18.630 13.306 1.00 0.00 O ATOM 1523 CB TRP B 43 3.970 20.884 11.443 1.00 0.00 C ATOM 1524 CG TRP B 43 3.283 21.980 10.689 1.00 0.00 C ATOM 1525 CD1 TRP B 43 3.067 23.257 11.119 1.00 0.00 C ATOM 1526 CD2 TRP B 43 2.719 21.896 9.376 1.00 0.00 C ATOM 1527 NE1 TRP B 43 2.405 23.975 10.153 1.00 0.00 N ATOM 1528 CE2 TRP B 43 2.179 23.161 9.072 1.00 0.00 C ATOM 1529 CE3 TRP B 43 2.618 20.876 8.427 1.00 0.00 C ATOM 1530 CZ2 TRP B 43 1.549 23.431 7.860 1.00 0.00 C ATOM 1531 CZ3 TRP B 43 1.992 21.144 7.224 1.00 0.00 C ATOM 1532 CH2 TRP B 43 1.466 22.413 6.950 1.00 0.00 C ATOM 0 H TRP B 43 3.137 21.525 13.692 1.00 0.00 H new ATOM 0 HA TRP B 43 2.120 19.810 11.640 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.704 21.321 12.120 1.00 0.00 H new ATOM 0 HB3 TRP B 43 4.518 20.256 10.741 1.00 0.00 H new ATOM 0 HD1 TRP B 43 3.372 23.646 12.079 1.00 0.00 H new ATOM 0 HE1 TRP B 43 2.127 24.954 10.227 1.00 0.00 H new ATOM 0 HE3 TRP B 43 3.022 19.895 8.630 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 1.141 24.408 7.646 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 1.907 20.362 6.484 1.00 0.00 H new ATOM 0 HH2 TRP B 43 0.985 22.592 6.000 1.00 0.00 H new ATOM 1543 N THR B 44 3.081 17.614 12.054 1.00 0.00 N ATOM 1544 CA THR B 44 3.597 16.275 12.283 1.00 0.00 C ATOM 1545 C THR B 44 4.147 15.691 10.990 1.00 0.00 C ATOM 1546 O THR B 44 3.551 15.836 9.924 1.00 0.00 O ATOM 1547 CB THR B 44 2.500 15.368 12.840 1.00 0.00 C ATOM 1548 OG1 THR B 44 1.427 15.258 11.922 1.00 0.00 O ATOM 1549 CG2 THR B 44 1.931 15.856 14.156 1.00 0.00 C ATOM 0 H THR B 44 2.254 17.650 11.458 1.00 0.00 H new ATOM 0 HA THR B 44 4.404 16.338 13.013 1.00 0.00 H new ATOM 0 HB THR B 44 2.979 14.403 13.005 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.646 15.750 11.103 1.00 0.00 H new ATOM 0 HG21 THR B 44 1.158 15.167 14.496 1.00 0.00 H new ATOM 0 HG22 THR B 44 2.726 15.905 14.900 1.00 0.00 H new ATOM 0 HG23 THR B 44 1.499 16.848 14.020 1.00 0.00 H new ATOM 1557 N TYR B 45 5.283 15.022 11.100 1.00 0.00 N ATOM 1558 CA TYR B 45 5.918 14.400 9.946 1.00 0.00 C ATOM 1559 C TYR B 45 5.103 13.206 9.461 1.00 0.00 C ATOM 1560 O TYR B 45 4.535 12.465 10.263 1.00 0.00 O ATOM 1561 CB TYR B 45 7.343 13.963 10.288 1.00 0.00 C ATOM 1562 CG TYR B 45 8.348 15.091 10.240 1.00 0.00 C ATOM 1563 CD1 TYR B 45 8.924 15.480 9.036 1.00 0.00 C ATOM 1564 CD2 TYR B 45 8.720 15.768 11.394 1.00 0.00 C ATOM 1565 CE1 TYR B 45 9.842 16.510 8.986 1.00 0.00 C ATOM 1566 CE2 TYR B 45 9.637 16.801 11.351 1.00 0.00 C ATOM 1567 CZ TYR B 45 10.194 17.168 10.145 1.00 0.00 C ATOM 1568 OH TYR B 45 11.108 18.197 10.097 1.00 0.00 O ATOM 0 H TYR B 45 5.786 14.895 11.978 1.00 0.00 H new ATOM 0 HA TYR B 45 5.962 15.137 9.144 1.00 0.00 H new ATOM 0 HB2 TYR B 45 7.350 13.523 11.285 1.00 0.00 H new ATOM 0 HB3 TYR B 45 7.652 13.182 9.593 1.00 0.00 H new ATOM 0 HD1 TYR B 45 8.649 14.968 8.125 1.00 0.00 H new ATOM 0 HD2 TYR B 45 8.286 15.483 12.341 1.00 0.00 H new ATOM 0 HE1 TYR B 45 10.282 16.799 8.043 1.00 0.00 H new ATOM 0 HE2 TYR B 45 9.916 17.318 12.257 1.00 0.00 H new ATOM 0 HH TYR B 45 11.245 18.555 10.999 1.00 0.00 H new ATOM 1578 N ASP B 46 5.047 13.026 8.146 1.00 0.00 N ATOM 1579 CA ASP B 46 4.296 11.921 7.560 1.00 0.00 C ATOM 1580 C ASP B 46 5.003 10.594 7.815 1.00 0.00 C ATOM 1581 O ASP B 46 6.204 10.560 8.080 1.00 0.00 O ATOM 1582 CB ASP B 46 4.126 12.130 6.054 1.00 0.00 C ATOM 1583 CG ASP B 46 3.444 13.442 5.722 1.00 0.00 C ATOM 1584 OD1 ASP B 46 3.691 14.437 6.435 1.00 0.00 O ATOM 1585 OD2 ASP B 46 2.662 13.475 4.748 1.00 0.00 O ATOM 0 H ASP B 46 5.511 13.629 7.467 1.00 0.00 H new ATOM 0 HA ASP B 46 3.313 11.894 8.031 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.104 12.101 5.574 1.00 0.00 H new ATOM 0 HB3 ASP B 46 3.544 11.307 5.640 1.00 0.00 H new ATOM 1590 N ASP B 47 4.249 9.502 7.739 1.00 0.00 N ATOM 1591 CA ASP B 47 4.808 8.172 7.966 1.00 0.00 C ATOM 1592 C ASP B 47 5.808 7.809 6.873 1.00 0.00 C ATOM 1593 O ASP B 47 5.532 7.976 5.686 1.00 0.00 O ATOM 1594 CB ASP B 47 3.690 7.129 8.017 1.00 0.00 C ATOM 1595 CG ASP B 47 2.852 7.118 6.753 1.00 0.00 C ATOM 1596 OD1 ASP B 47 2.458 8.210 6.294 1.00 0.00 O ATOM 1597 OD2 ASP B 47 2.591 6.017 6.225 1.00 0.00 O ATOM 0 H ASP B 47 3.252 9.510 7.523 1.00 0.00 H new ATOM 0 HA ASP B 47 5.330 8.182 8.923 1.00 0.00 H new ATOM 0 HB2 ASP B 47 4.125 6.141 8.170 1.00 0.00 H new ATOM 0 HB3 ASP B 47 3.047 7.331 8.874 1.00 0.00 H new ATOM 1602 N ALA B 48 6.978 7.321 7.284 1.00 0.00 N ATOM 1603 CA ALA B 48 8.029 6.944 6.343 1.00 0.00 C ATOM 1604 C ALA B 48 7.529 5.934 5.314 1.00 0.00 C ATOM 1605 O ALA B 48 6.753 5.034 5.633 1.00 0.00 O ATOM 1606 CB ALA B 48 9.227 6.383 7.093 1.00 0.00 C ATOM 0 H ALA B 48 7.221 7.178 8.264 1.00 0.00 H new ATOM 0 HA ALA B 48 8.331 7.842 5.804 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.004 6.105 6.381 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.614 7.138 7.777 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.922 5.503 7.659 1.00 0.00 H new ATOM 1612 N THR B 49 7.985 6.094 4.075 1.00 0.00 N ATOM 1613 CA THR B 49 7.593 5.204 2.987 1.00 0.00 C ATOM 1614 C THR B 49 8.802 4.827 2.135 1.00 0.00 C ATOM 1615 O THR B 49 9.802 5.543 2.113 1.00 0.00 O ATOM 1616 CB THR B 49 6.524 5.869 2.119 1.00 0.00 C ATOM 1617 OG1 THR B 49 5.497 6.420 2.923 1.00 0.00 O ATOM 1618 CG2 THR B 49 5.876 4.921 1.135 1.00 0.00 C ATOM 0 H THR B 49 8.629 6.835 3.799 1.00 0.00 H new ATOM 0 HA THR B 49 7.180 4.293 3.421 1.00 0.00 H new ATOM 0 HB THR B 49 7.048 6.644 1.560 1.00 0.00 H new ATOM 0 HG1 THR B 49 4.824 6.842 2.350 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.128 5.458 0.552 1.00 0.00 H new ATOM 0 HG22 THR B 49 6.635 4.516 0.466 1.00 0.00 H new ATOM 0 HG23 THR B 49 5.397 4.105 1.677 1.00 0.00 H new ATOM 1626 N LYS B 50 8.707 3.696 1.441 1.00 0.00 N ATOM 1627 CA LYS B 50 9.800 3.228 0.594 1.00 0.00 C ATOM 1628 C LYS B 50 9.354 3.090 -0.859 1.00 0.00 C ATOM 1629 O LYS B 50 8.358 2.432 -1.157 1.00 0.00 O ATOM 1630 CB LYS B 50 10.325 1.884 1.104 1.00 0.00 C ATOM 1631 CG LYS B 50 11.382 2.016 2.188 1.00 0.00 C ATOM 1632 CD LYS B 50 11.569 0.711 2.944 1.00 0.00 C ATOM 1633 CE LYS B 50 11.909 0.959 4.405 1.00 0.00 C ATOM 1634 NZ LYS B 50 11.978 -0.309 5.182 1.00 0.00 N ATOM 0 H LYS B 50 7.888 3.089 1.448 1.00 0.00 H new ATOM 0 HA LYS B 50 10.598 3.969 0.638 1.00 0.00 H new ATOM 0 HB2 LYS B 50 9.490 1.301 1.492 1.00 0.00 H new ATOM 0 HB3 LYS B 50 10.743 1.325 0.267 1.00 0.00 H new ATOM 0 HG2 LYS B 50 12.329 2.317 1.740 1.00 0.00 H new ATOM 0 HG3 LYS B 50 11.094 2.803 2.885 1.00 0.00 H new ATOM 0 HD2 LYS B 50 10.658 0.116 2.877 1.00 0.00 H new ATOM 0 HD3 LYS B 50 12.364 0.129 2.478 1.00 0.00 H new ATOM 0 HE2 LYS B 50 12.865 1.478 4.472 1.00 0.00 H new ATOM 0 HE3 LYS B 50 11.158 1.615 4.846 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 12.212 -0.097 6.173 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 11.058 -0.793 5.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 12.712 -0.925 4.777 1.00 0.00 H new ATOM 1648 N THR B 51 10.106 3.719 -1.758 1.00 0.00 N ATOM 1649 CA THR B 51 9.805 3.677 -3.185 1.00 0.00 C ATOM 1650 C THR B 51 10.921 2.958 -3.946 1.00 0.00 C ATOM 1651 O THR B 51 12.100 3.267 -3.771 1.00 0.00 O ATOM 1652 CB THR B 51 9.610 5.104 -3.719 1.00 0.00 C ATOM 1653 OG1 THR B 51 8.470 5.701 -3.127 1.00 0.00 O ATOM 1654 CG2 THR B 51 9.430 5.177 -5.222 1.00 0.00 C ATOM 0 H THR B 51 10.933 4.267 -1.521 1.00 0.00 H new ATOM 0 HA THR B 51 8.881 3.119 -3.337 1.00 0.00 H new ATOM 0 HB THR B 51 10.527 5.633 -3.459 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.530 6.676 -3.212 1.00 0.00 H new ATOM 0 HG21 THR B 51 9.298 6.216 -5.523 1.00 0.00 H new ATOM 0 HG22 THR B 51 10.311 4.766 -5.714 1.00 0.00 H new ATOM 0 HG23 THR B 51 8.551 4.601 -5.512 1.00 0.00 H new ATOM 1662 N PHE B 52 10.543 1.995 -4.783 1.00 0.00 N ATOM 1663 CA PHE B 52 11.514 1.233 -5.566 1.00 0.00 C ATOM 1664 C PHE B 52 11.951 1.996 -6.813 1.00 0.00 C ATOM 1665 O PHE B 52 11.128 2.333 -7.664 1.00 0.00 O ATOM 1666 CB PHE B 52 10.932 -0.124 -5.971 1.00 0.00 C ATOM 1667 CG PHE B 52 11.967 -1.097 -6.461 1.00 0.00 C ATOM 1668 CD1 PHE B 52 12.793 -1.759 -5.568 1.00 0.00 C ATOM 1669 CD2 PHE B 52 12.113 -1.348 -7.817 1.00 0.00 C ATOM 1670 CE1 PHE B 52 13.746 -2.654 -6.017 1.00 0.00 C ATOM 1671 CE2 PHE B 52 13.064 -2.241 -8.272 1.00 0.00 C ATOM 1672 CZ PHE B 52 13.882 -2.895 -7.370 1.00 0.00 C ATOM 0 H PHE B 52 9.572 1.723 -4.937 1.00 0.00 H new ATOM 0 HA PHE B 52 12.389 1.077 -4.935 1.00 0.00 H new ATOM 0 HB2 PHE B 52 10.413 -0.558 -5.116 1.00 0.00 H new ATOM 0 HB3 PHE B 52 10.188 0.027 -6.753 1.00 0.00 H new ATOM 0 HD1 PHE B 52 12.691 -1.574 -4.509 1.00 0.00 H new ATOM 0 HD2 PHE B 52 11.476 -0.840 -8.526 1.00 0.00 H new ATOM 0 HE1 PHE B 52 14.384 -3.164 -5.310 1.00 0.00 H new ATOM 0 HE2 PHE B 52 13.168 -2.428 -9.331 1.00 0.00 H new ATOM 0 HZ PHE B 52 14.626 -3.593 -7.723 1.00 0.00 H new ATOM 1682 N THR B 53 13.250 2.249 -6.924 1.00 0.00 N ATOM 1683 CA THR B 53 13.793 2.952 -8.081 1.00 0.00 C ATOM 1684 C THR B 53 14.324 1.950 -9.101 1.00 0.00 C ATOM 1685 O THR B 53 15.191 1.134 -8.788 1.00 0.00 O ATOM 1686 CB THR B 53 14.906 3.911 -7.650 1.00 0.00 C ATOM 1687 OG1 THR B 53 14.413 4.868 -6.730 1.00 0.00 O ATOM 1688 CG2 THR B 53 15.531 4.668 -8.805 1.00 0.00 C ATOM 0 H THR B 53 13.946 1.979 -6.229 1.00 0.00 H new ATOM 0 HA THR B 53 12.995 3.534 -8.542 1.00 0.00 H new ATOM 0 HB THR B 53 15.669 3.279 -7.196 1.00 0.00 H new ATOM 0 HG1 THR B 53 14.056 4.409 -5.941 1.00 0.00 H new ATOM 0 HG21 THR B 53 16.311 5.329 -8.427 1.00 0.00 H new ATOM 0 HG22 THR B 53 15.965 3.960 -9.511 1.00 0.00 H new ATOM 0 HG23 THR B 53 14.767 5.260 -9.308 1.00 0.00 H new ATOM 1696 N VAL B 54 13.793 2.005 -10.320 1.00 0.00 N ATOM 1697 CA VAL B 54 14.218 1.089 -11.373 1.00 0.00 C ATOM 1698 C VAL B 54 15.628 1.413 -11.849 1.00 0.00 C ATOM 1699 O VAL B 54 16.093 2.545 -11.724 1.00 0.00 O ATOM 1700 CB VAL B 54 13.269 1.121 -12.588 1.00 0.00 C ATOM 1701 CG1 VAL B 54 13.527 -0.074 -13.493 1.00 0.00 C ATOM 1702 CG2 VAL B 54 11.813 1.155 -12.145 1.00 0.00 C ATOM 0 H VAL B 54 13.072 2.670 -10.601 1.00 0.00 H new ATOM 0 HA VAL B 54 14.196 0.091 -10.934 1.00 0.00 H new ATOM 0 HB VAL B 54 13.468 2.033 -13.151 1.00 0.00 H new ATOM 0 HG11 VAL B 54 12.849 -0.037 -14.346 1.00 0.00 H new ATOM 0 HG12 VAL B 54 14.558 -0.047 -13.847 1.00 0.00 H new ATOM 0 HG13 VAL B 54 13.359 -0.996 -12.936 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.166 1.177 -13.022 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.592 0.267 -11.553 1.00 0.00 H new ATOM 0 HG23 VAL B 54 11.637 2.046 -11.542 1.00 0.00 H new ATOM 1712 N THR B 55 16.301 0.408 -12.397 1.00 0.00 N ATOM 1713 CA THR B 55 17.660 0.580 -12.896 1.00 0.00 C ATOM 1714 C THR B 55 17.924 -0.332 -14.087 1.00 0.00 C ATOM 1715 O THR B 55 18.063 0.130 -15.220 1.00 0.00 O ATOM 1716 CB THR B 55 18.674 0.300 -11.785 1.00 0.00 C ATOM 1717 OG1 THR B 55 18.419 1.119 -10.658 1.00 0.00 O ATOM 1718 CG2 THR B 55 20.107 0.539 -12.211 1.00 0.00 C ATOM 0 H THR B 55 15.928 -0.535 -12.507 1.00 0.00 H new ATOM 0 HA THR B 55 17.770 1.613 -13.225 1.00 0.00 H new ATOM 0 HB THR B 55 18.555 -0.756 -11.542 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.162 1.044 -10.024 1.00 0.00 H new ATOM 0 HG21 THR B 55 20.775 0.322 -11.378 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.351 -0.112 -13.050 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.228 1.579 -12.512 1.00 0.00 H new ATOM 1726 N GLU B 56 17.992 -1.628 -13.821 1.00 0.00 N ATOM 1727 CA GLU B 56 18.240 -2.612 -14.868 1.00 0.00 C ATOM 1728 C GLU B 56 16.943 -3.295 -15.292 1.00 0.00 C ATOM 1729 O GLU B 56 17.006 -4.209 -16.141 1.00 0.00 O ATOM 1730 CB GLU B 56 19.245 -3.659 -14.385 1.00 0.00 C ATOM 1731 CG GLU B 56 20.692 -3.206 -14.494 1.00 0.00 C ATOM 1732 CD GLU B 56 21.674 -4.356 -14.373 1.00 0.00 C ATOM 1733 OE1 GLU B 56 21.611 -5.087 -13.363 1.00 0.00 O ATOM 1734 OE2 GLU B 56 22.505 -4.526 -15.290 1.00 0.00 O ATOM 1735 OXT GLU B 56 15.874 -2.909 -14.771 1.00 0.00 O ATOM 0 H GLU B 56 17.879 -2.025 -12.888 1.00 0.00 H new ATOM 0 HA GLU B 56 18.654 -2.090 -15.731 1.00 0.00 H new ATOM 0 HB2 GLU B 56 19.028 -3.908 -13.346 1.00 0.00 H new ATOM 0 HB3 GLU B 56 19.114 -4.572 -14.966 1.00 0.00 H new ATOM 0 HG2 GLU B 56 20.841 -2.705 -15.451 1.00 0.00 H new ATOM 0 HG3 GLU B 56 20.899 -2.473 -13.715 1.00 0.00 H new ATOM 1743 N MET C 1 4.921 -0.079 8.319 1.00 0.00 N ATOM 1744 CA MET C 1 5.736 0.553 7.249 1.00 0.00 C ATOM 1745 C MET C 1 4.982 0.577 5.924 1.00 0.00 C ATOM 1746 O MET C 1 4.447 -0.441 5.486 1.00 0.00 O ATOM 1747 CB MET C 1 7.042 -0.231 7.104 1.00 0.00 C ATOM 1748 CG MET C 1 8.172 0.309 7.966 1.00 0.00 C ATOM 1749 SD MET C 1 9.258 1.431 7.064 1.00 0.00 S ATOM 1750 CE MET C 1 8.058 2.491 6.260 1.00 0.00 C ATOM 0 H1 MET C 1 5.431 -0.021 9.224 1.00 0.00 H new ATOM 0 H2 MET C 1 4.011 0.418 8.402 1.00 0.00 H new ATOM 0 H3 MET C 1 4.750 -1.077 8.081 1.00 0.00 H new ATOM 0 HA MET C 1 5.948 1.587 7.522 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.862 -1.274 7.366 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.353 -0.214 6.059 1.00 0.00 H new ATOM 0 HG2 MET C 1 7.751 0.830 8.826 1.00 0.00 H new ATOM 0 HG3 MET C 1 8.758 -0.524 8.354 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.570 3.333 5.794 1.00 0.00 H new ATOM 0 HE2 MET C 1 7.525 1.924 5.497 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.348 2.862 6.999 1.00 0.00 H new ATOM 1762 N GLN C 2 4.945 1.746 5.292 1.00 0.00 N ATOM 1763 CA GLN C 2 4.252 1.905 4.019 1.00 0.00 C ATOM 1764 C GLN C 2 5.184 1.616 2.847 1.00 0.00 C ATOM 1765 O GLN C 2 6.225 2.255 2.694 1.00 0.00 O ATOM 1766 CB GLN C 2 3.689 3.323 3.898 1.00 0.00 C ATOM 1767 CG GLN C 2 2.533 3.439 2.919 1.00 0.00 C ATOM 1768 CD GLN C 2 1.543 4.518 3.311 1.00 0.00 C ATOM 1769 OE1 GLN C 2 0.383 4.236 3.607 1.00 0.00 O ATOM 1770 NE2 GLN C 2 2.000 5.766 3.315 1.00 0.00 N ATOM 0 H GLN C 2 5.387 2.597 5.641 1.00 0.00 H new ATOM 0 HA GLN C 2 3.432 1.188 3.990 1.00 0.00 H new ATOM 0 HB2 GLN C 2 3.356 3.658 4.881 1.00 0.00 H new ATOM 0 HB3 GLN C 2 4.487 3.996 3.585 1.00 0.00 H new ATOM 0 HG2 GLN C 2 2.924 3.654 1.925 1.00 0.00 H new ATOM 0 HG3 GLN C 2 2.016 2.481 2.858 1.00 0.00 H new ATOM 0 HE21 GLN C 2 2.970 5.955 3.062 1.00 0.00 H new ATOM 0 HE22 GLN C 2 1.381 6.535 3.571 1.00 0.00 H new ATOM 1779 N TYR C 3 4.802 0.645 2.022 1.00 0.00 N ATOM 1780 CA TYR C 3 5.601 0.266 0.862 1.00 0.00 C ATOM 1781 C TYR C 3 4.967 0.756 -0.436 1.00 0.00 C ATOM 1782 O TYR C 3 3.785 0.525 -0.694 1.00 0.00 O ATOM 1783 CB TYR C 3 5.784 -1.251 0.813 1.00 0.00 C ATOM 1784 CG TYR C 3 6.874 -1.759 1.730 1.00 0.00 C ATOM 1785 CD1 TYR C 3 8.193 -1.828 1.297 1.00 0.00 C ATOM 1786 CD2 TYR C 3 6.587 -2.167 3.026 1.00 0.00 C ATOM 1787 CE1 TYR C 3 9.194 -2.290 2.129 1.00 0.00 C ATOM 1788 CE2 TYR C 3 7.583 -2.630 3.865 1.00 0.00 C ATOM 1789 CZ TYR C 3 8.884 -2.690 3.412 1.00 0.00 C ATOM 1790 OH TYR C 3 9.879 -3.150 4.243 1.00 0.00 O ATOM 0 H TYR C 3 3.943 0.106 2.136 1.00 0.00 H new ATOM 0 HA TYR C 3 6.577 0.742 0.963 1.00 0.00 H new ATOM 0 HB2 TYR C 3 4.843 -1.731 1.081 1.00 0.00 H new ATOM 0 HB3 TYR C 3 6.014 -1.548 -0.210 1.00 0.00 H new ATOM 0 HD1 TYR C 3 8.439 -1.515 0.293 1.00 0.00 H new ATOM 0 HD2 TYR C 3 5.569 -2.122 3.384 1.00 0.00 H new ATOM 0 HE1 TYR C 3 10.214 -2.338 1.777 1.00 0.00 H new ATOM 0 HE2 TYR C 3 7.343 -2.943 4.870 1.00 0.00 H new ATOM 0 HH TYR C 3 10.311 -3.930 3.836 1.00 0.00 H new ATOM 1800 N LYS C 4 5.774 1.433 -1.247 1.00 0.00 N ATOM 1801 CA LYS C 4 5.310 1.962 -2.524 1.00 0.00 C ATOM 1802 C LYS C 4 5.865 1.145 -3.687 1.00 0.00 C ATOM 1803 O LYS C 4 7.057 0.841 -3.738 1.00 0.00 O ATOM 1804 CB LYS C 4 5.717 3.432 -2.670 1.00 0.00 C ATOM 1805 CG LYS C 4 4.643 4.406 -2.212 1.00 0.00 C ATOM 1806 CD LYS C 4 4.814 5.773 -2.855 1.00 0.00 C ATOM 1807 CE LYS C 4 4.101 6.855 -2.061 1.00 0.00 C ATOM 1808 NZ LYS C 4 4.591 8.217 -2.412 1.00 0.00 N ATOM 0 H LYS C 4 6.754 1.628 -1.042 1.00 0.00 H new ATOM 0 HA LYS C 4 4.222 1.892 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS C 4 6.626 3.608 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS C 4 5.957 3.633 -3.714 1.00 0.00 H new ATOM 0 HG2 LYS C 4 3.660 4.007 -2.461 1.00 0.00 H new ATOM 0 HG3 LYS C 4 4.681 4.506 -1.127 1.00 0.00 H new ATOM 0 HD2 LYS C 4 5.875 6.012 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS C 4 4.423 5.749 -3.872 1.00 0.00 H new ATOM 0 HE2 LYS C 4 3.029 6.796 -2.248 1.00 0.00 H new ATOM 0 HE3 LYS C 4 4.248 6.680 -0.995 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 4.079 8.926 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 5.609 8.283 -2.209 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 4.427 8.395 -3.423 1.00 0.00 H new ATOM 1822 N VAL C 5 4.986 0.794 -4.620 1.00 0.00 N ATOM 1823 CA VAL C 5 5.374 0.012 -5.790 1.00 0.00 C ATOM 1824 C VAL C 5 4.623 0.485 -7.027 1.00 0.00 C ATOM 1825 O VAL C 5 3.394 0.567 -7.022 1.00 0.00 O ATOM 1826 CB VAL C 5 5.107 -1.491 -5.581 1.00 0.00 C ATOM 1827 CG1 VAL C 5 5.719 -2.305 -6.710 1.00 0.00 C ATOM 1828 CG2 VAL C 5 5.646 -1.948 -4.233 1.00 0.00 C ATOM 0 H VAL C 5 3.996 1.039 -4.589 1.00 0.00 H new ATOM 0 HA VAL C 5 6.444 0.160 -5.933 1.00 0.00 H new ATOM 0 HB VAL C 5 4.029 -1.653 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL C 5 5.520 -3.364 -6.545 1.00 0.00 H new ATOM 0 HG12 VAL C 5 5.281 -1.997 -7.659 1.00 0.00 H new ATOM 0 HG13 VAL C 5 6.796 -2.138 -6.737 1.00 0.00 H new ATOM 0 HG21 VAL C 5 5.448 -3.012 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL C 5 6.721 -1.771 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL C 5 5.156 -1.388 -3.436 1.00 0.00 H new ATOM 1838 N ILE C 6 5.361 0.793 -8.090 1.00 0.00 N ATOM 1839 CA ILE C 6 4.751 1.255 -9.330 1.00 0.00 C ATOM 1840 C ILE C 6 4.669 0.136 -10.366 1.00 0.00 C ATOM 1841 O ILE C 6 5.692 -0.379 -10.819 1.00 0.00 O ATOM 1842 CB ILE C 6 5.534 2.441 -9.930 1.00 0.00 C ATOM 1843 CG1 ILE C 6 5.785 3.505 -8.861 1.00 0.00 C ATOM 1844 CG2 ILE C 6 4.777 3.036 -11.109 1.00 0.00 C ATOM 1845 CD1 ILE C 6 6.807 4.544 -9.269 1.00 0.00 C ATOM 0 H ILE C 6 6.379 0.731 -8.116 1.00 0.00 H new ATOM 0 HA ILE C 6 3.741 1.580 -9.080 1.00 0.00 H new ATOM 0 HB ILE C 6 6.497 2.077 -10.289 1.00 0.00 H new ATOM 0 HG12 ILE C 6 4.844 4.004 -8.629 1.00 0.00 H new ATOM 0 HG13 ILE C 6 6.121 3.017 -7.946 1.00 0.00 H new ATOM 0 HG21 ILE C 6 5.343 3.872 -11.521 1.00 0.00 H new ATOM 0 HG22 ILE C 6 4.644 2.275 -11.877 1.00 0.00 H new ATOM 0 HG23 ILE C 6 3.801 3.389 -10.774 1.00 0.00 H new ATOM 0 HD11 ILE C 6 6.934 5.266 -8.462 1.00 0.00 H new ATOM 0 HD12 ILE C 6 7.760 4.056 -9.473 1.00 0.00 H new ATOM 0 HD13 ILE C 6 6.464 5.059 -10.166 1.00 0.00 H new ATOM 1857 N LEU C 7 3.449 -0.226 -10.751 1.00 0.00 N ATOM 1858 CA LEU C 7 3.238 -1.269 -11.751 1.00 0.00 C ATOM 1859 C LEU C 7 2.828 -0.644 -13.082 1.00 0.00 C ATOM 1860 O LEU C 7 1.823 0.061 -13.161 1.00 0.00 O ATOM 1861 CB LEU C 7 2.173 -2.266 -11.275 1.00 0.00 C ATOM 1862 CG LEU C 7 2.720 -3.503 -10.548 1.00 0.00 C ATOM 1863 CD1 LEU C 7 2.616 -3.327 -9.042 1.00 0.00 C ATOM 1864 CD2 LEU C 7 1.983 -4.762 -10.989 1.00 0.00 C ATOM 0 H LEU C 7 2.591 0.187 -10.386 1.00 0.00 H new ATOM 0 HA LEU C 7 4.173 -1.811 -11.892 1.00 0.00 H new ATOM 0 HB2 LEU C 7 1.483 -1.747 -10.609 1.00 0.00 H new ATOM 0 HB3 LEU C 7 1.595 -2.597 -12.138 1.00 0.00 H new ATOM 0 HG LEU C 7 3.772 -3.613 -10.812 1.00 0.00 H new ATOM 0 HD11 LEU C 7 3.008 -4.214 -8.544 1.00 0.00 H new ATOM 0 HD12 LEU C 7 3.193 -2.454 -8.737 1.00 0.00 H new ATOM 0 HD13 LEU C 7 1.572 -3.187 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU C 7 2.388 -5.625 -10.460 1.00 0.00 H new ATOM 0 HD22 LEU C 7 0.922 -4.662 -10.760 1.00 0.00 H new ATOM 0 HD23 LEU C 7 2.111 -4.901 -12.062 1.00 0.00 H new ATOM 2079 N ASP C 22 1.361 -6.272 -14.500 1.00 0.00 N ATOM 2080 CA ASP C 22 -0.066 -5.961 -14.555 1.00 0.00 C ATOM 2081 C ASP C 22 -0.647 -5.683 -13.175 1.00 0.00 C ATOM 2082 O ASP C 22 -0.309 -6.339 -12.192 1.00 0.00 O ATOM 2083 CB ASP C 22 -0.823 -7.120 -15.203 1.00 0.00 C ATOM 2084 CG ASP C 22 -2.283 -6.793 -15.449 1.00 0.00 C ATOM 2085 OD1 ASP C 22 -2.561 -5.931 -16.309 1.00 0.00 O ATOM 2086 OD2 ASP C 22 -3.148 -7.398 -14.782 1.00 0.00 O ATOM 0 HA ASP C 22 -0.180 -5.056 -15.152 1.00 0.00 H new ATOM 0 HB2 ASP C 22 -0.347 -7.377 -16.149 1.00 0.00 H new ATOM 0 HB3 ASP C 22 -0.754 -7.999 -14.562 1.00 0.00 H new ATOM 2091 N ALA C 23 -1.525 -4.694 -13.121 1.00 0.00 N ATOM 2092 CA ALA C 23 -2.177 -4.299 -11.882 1.00 0.00 C ATOM 2093 C ALA C 23 -2.791 -5.502 -11.163 1.00 0.00 C ATOM 2094 O ALA C 23 -2.692 -5.626 -9.941 1.00 0.00 O ATOM 2095 CB ALA C 23 -3.232 -3.254 -12.192 1.00 0.00 C ATOM 0 H ALA C 23 -1.805 -4.143 -13.933 1.00 0.00 H new ATOM 0 HA ALA C 23 -1.432 -3.875 -11.209 1.00 0.00 H new ATOM 0 HB1 ALA C 23 -3.727 -2.951 -11.269 1.00 0.00 H new ATOM 0 HB2 ALA C 23 -2.760 -2.386 -12.652 1.00 0.00 H new ATOM 0 HB3 ALA C 23 -3.968 -3.673 -12.878 1.00 0.00 H new ATOM 2101 N ALA C 24 -3.421 -6.387 -11.931 1.00 0.00 N ATOM 2102 CA ALA C 24 -4.047 -7.583 -11.373 1.00 0.00 C ATOM 2103 C ALA C 24 -3.002 -8.546 -10.813 1.00 0.00 C ATOM 2104 O ALA C 24 -3.265 -9.275 -9.857 1.00 0.00 O ATOM 2105 CB ALA C 24 -4.891 -8.276 -12.433 1.00 0.00 C ATOM 0 H ALA C 24 -3.512 -6.298 -12.943 1.00 0.00 H new ATOM 0 HA ALA C 24 -4.692 -7.274 -10.550 1.00 0.00 H new ATOM 0 HB1 ALA C 24 -5.353 -9.166 -12.006 1.00 0.00 H new ATOM 0 HB2 ALA C 24 -5.668 -7.596 -12.781 1.00 0.00 H new ATOM 0 HB3 ALA C 24 -4.257 -8.563 -13.272 1.00 0.00 H new ATOM 2111 N THR C 25 -1.817 -8.546 -11.419 1.00 0.00 N ATOM 2112 CA THR C 25 -0.730 -9.421 -10.988 1.00 0.00 C ATOM 2113 C THR C 25 -0.286 -9.071 -9.566 1.00 0.00 C ATOM 2114 O THR C 25 -0.036 -9.954 -8.745 1.00 0.00 O ATOM 2115 CB THR C 25 0.445 -9.313 -11.978 1.00 0.00 C ATOM 2116 OG1 THR C 25 0.126 -9.962 -13.196 1.00 0.00 O ATOM 2117 CG2 THR C 25 1.749 -9.907 -11.482 1.00 0.00 C ATOM 0 H THR C 25 -1.585 -7.948 -12.212 1.00 0.00 H new ATOM 0 HA THR C 25 -1.084 -10.452 -10.978 1.00 0.00 H new ATOM 0 HB THR C 25 0.594 -8.241 -12.106 1.00 0.00 H new ATOM 0 HG1 THR C 25 0.881 -9.884 -13.816 1.00 0.00 H new ATOM 0 HG21 THR C 25 2.518 -9.785 -12.245 1.00 0.00 H new ATOM 0 HG22 THR C 25 2.058 -9.396 -10.570 1.00 0.00 H new ATOM 0 HG23 THR C 25 1.610 -10.968 -11.274 1.00 0.00 H new ATOM 2125 N PHE C 26 -0.211 -7.777 -9.277 1.00 0.00 N ATOM 2126 CA PHE C 26 0.181 -7.312 -7.951 1.00 0.00 C ATOM 2127 C PHE C 26 -0.872 -7.682 -6.908 1.00 0.00 C ATOM 2128 O PHE C 26 -0.551 -8.182 -5.831 1.00 0.00 O ATOM 2129 CB PHE C 26 0.402 -5.799 -7.953 1.00 0.00 C ATOM 2130 CG PHE C 26 1.114 -5.299 -6.728 1.00 0.00 C ATOM 2131 CD1 PHE C 26 2.497 -5.345 -6.647 1.00 0.00 C ATOM 2132 CD2 PHE C 26 0.401 -4.786 -5.656 1.00 0.00 C ATOM 2133 CE1 PHE C 26 3.154 -4.888 -5.521 1.00 0.00 C ATOM 2134 CE2 PHE C 26 1.053 -4.328 -4.527 1.00 0.00 C ATOM 2135 CZ PHE C 26 2.431 -4.379 -4.460 1.00 0.00 C ATOM 0 H PHE C 26 -0.416 -7.031 -9.942 1.00 0.00 H new ATOM 0 HA PHE C 26 1.117 -7.805 -7.689 1.00 0.00 H new ATOM 0 HB2 PHE C 26 0.978 -5.524 -8.837 1.00 0.00 H new ATOM 0 HB3 PHE C 26 -0.563 -5.298 -8.033 1.00 0.00 H new ATOM 0 HD1 PHE C 26 3.067 -5.743 -7.473 1.00 0.00 H new ATOM 0 HD2 PHE C 26 -0.677 -4.744 -5.704 1.00 0.00 H new ATOM 0 HE1 PHE C 26 4.232 -4.929 -5.470 1.00 0.00 H new ATOM 0 HE2 PHE C 26 0.486 -3.931 -3.698 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.943 -4.021 -3.579 1.00 0.00 H new ATOM 2145 N GLU C 27 -2.131 -7.414 -7.239 1.00 0.00 N ATOM 2146 CA GLU C 27 -3.251 -7.692 -6.344 1.00 0.00 C ATOM 2147 C GLU C 27 -3.280 -9.151 -5.891 1.00 0.00 C ATOM 2148 O GLU C 27 -3.401 -9.437 -4.699 1.00 0.00 O ATOM 2149 CB GLU C 27 -4.568 -7.345 -7.041 1.00 0.00 C ATOM 2150 CG GLU C 27 -5.760 -7.278 -6.100 1.00 0.00 C ATOM 2151 CD GLU C 27 -7.025 -7.834 -6.721 1.00 0.00 C ATOM 2152 OE1 GLU C 27 -7.057 -9.046 -7.020 1.00 0.00 O ATOM 2153 OE2 GLU C 27 -7.985 -7.057 -6.909 1.00 0.00 O ATOM 0 H GLU C 27 -2.404 -7.000 -8.130 1.00 0.00 H new ATOM 0 HA GLU C 27 -3.121 -7.073 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU C 27 -4.460 -6.384 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU C 27 -4.767 -8.089 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU C 27 -5.532 -7.834 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU C 27 -5.929 -6.242 -5.807 1.00 0.00 H new ATOM 2160 N LYS C 28 -3.202 -10.070 -6.846 1.00 0.00 N ATOM 2161 CA LYS C 28 -3.255 -11.497 -6.544 1.00 0.00 C ATOM 2162 C LYS C 28 -2.033 -11.970 -5.756 1.00 0.00 C ATOM 2163 O LYS C 28 -2.167 -12.720 -4.789 1.00 0.00 O ATOM 2164 CB LYS C 28 -3.377 -12.303 -7.838 1.00 0.00 C ATOM 2165 CG LYS C 28 -3.709 -13.769 -7.616 1.00 0.00 C ATOM 2166 CD LYS C 28 -3.401 -14.603 -8.849 1.00 0.00 C ATOM 2167 CE LYS C 28 -4.435 -14.387 -9.941 1.00 0.00 C ATOM 2168 NZ LYS C 28 -3.982 -14.933 -11.250 1.00 0.00 N ATOM 0 H LYS C 28 -3.102 -9.853 -7.838 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.133 -11.661 -5.919 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -4.150 -11.855 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -2.440 -12.231 -8.390 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -3.139 -14.148 -6.768 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -4.764 -13.870 -7.362 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -2.412 -14.344 -9.227 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -3.372 -15.658 -8.578 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -5.372 -14.864 -9.653 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -4.638 -13.321 -10.043 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -4.715 -14.766 -11.968 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -3.101 -14.460 -11.537 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -3.813 -15.955 -11.160 1.00 0.00 H new ATOM 2182 N VAL C 29 -0.846 -11.544 -6.173 1.00 0.00 N ATOM 2183 CA VAL C 29 0.387 -11.945 -5.499 1.00 0.00 C ATOM 2184 C VAL C 29 0.433 -11.469 -4.048 1.00 0.00 C ATOM 2185 O VAL C 29 0.876 -12.201 -3.166 1.00 0.00 O ATOM 2186 CB VAL C 29 1.633 -11.411 -6.240 1.00 0.00 C ATOM 2187 CG1 VAL C 29 2.920 -11.830 -5.530 1.00 0.00 C ATOM 2188 CG2 VAL C 29 1.635 -11.890 -7.685 1.00 0.00 C ATOM 0 H VAL C 29 -0.710 -10.924 -6.971 1.00 0.00 H new ATOM 0 HA VAL C 29 0.395 -13.035 -5.509 1.00 0.00 H new ATOM 0 HB VAL C 29 1.590 -10.322 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL C 29 3.780 -11.440 -6.075 1.00 0.00 H new ATOM 0 HG12 VAL C 29 2.922 -11.432 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL C 29 2.977 -12.918 -5.493 1.00 0.00 H new ATOM 0 HG21 VAL C 29 2.519 -11.506 -8.194 1.00 0.00 H new ATOM 0 HG22 VAL C 29 1.648 -12.980 -7.707 1.00 0.00 H new ATOM 0 HG23 VAL C 29 0.739 -11.528 -8.190 1.00 0.00 H new ATOM 2198 N VAL C 30 -0.005 -10.237 -3.809 1.00 0.00 N ATOM 2199 CA VAL C 30 0.021 -9.674 -2.463 1.00 0.00 C ATOM 2200 C VAL C 30 -0.962 -10.373 -1.531 1.00 0.00 C ATOM 2201 O VAL C 30 -0.606 -10.730 -0.409 1.00 0.00 O ATOM 2202 CB VAL C 30 -0.270 -8.157 -2.475 1.00 0.00 C ATOM 2203 CG1 VAL C 30 -0.103 -7.563 -1.082 1.00 0.00 C ATOM 2204 CG2 VAL C 30 0.637 -7.447 -3.470 1.00 0.00 C ATOM 0 H VAL C 30 -0.380 -9.613 -4.524 1.00 0.00 H new ATOM 0 HA VAL C 30 1.030 -9.837 -2.085 1.00 0.00 H new ATOM 0 HB VAL C 30 -1.305 -8.011 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -0.313 -6.494 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.796 -8.048 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL C 30 0.919 -7.722 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL C 30 0.418 -6.379 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.678 -7.605 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL C 30 0.465 -7.848 -4.469 1.00 0.00 H new ATOM 2214 N LYS C 31 -2.191 -10.571 -1.988 1.00 0.00 N ATOM 2215 CA LYS C 31 -3.201 -11.231 -1.173 1.00 0.00 C ATOM 2216 C LYS C 31 -2.787 -12.662 -0.849 1.00 0.00 C ATOM 2217 O LYS C 31 -2.880 -13.104 0.295 1.00 0.00 O ATOM 2218 CB LYS C 31 -4.546 -11.227 -1.904 1.00 0.00 C ATOM 2219 CG LYS C 31 -5.670 -11.892 -1.127 1.00 0.00 C ATOM 2220 CD LYS C 31 -7.023 -11.309 -1.500 1.00 0.00 C ATOM 2221 CE LYS C 31 -7.138 -9.855 -1.072 1.00 0.00 C ATOM 2222 NZ LYS C 31 -8.549 -9.468 -0.792 1.00 0.00 N ATOM 0 H LYS C 31 -2.511 -10.286 -2.913 1.00 0.00 H new ATOM 0 HA LYS C 31 -3.299 -10.683 -0.236 1.00 0.00 H new ATOM 0 HB2 LYS C 31 -4.828 -10.197 -2.121 1.00 0.00 H new ATOM 0 HB3 LYS C 31 -4.430 -11.734 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS C 31 -5.667 -12.964 -1.325 1.00 0.00 H new ATOM 0 HG3 LYS C 31 -5.500 -11.765 -0.058 1.00 0.00 H new ATOM 0 HD2 LYS C 31 -7.169 -11.385 -2.577 1.00 0.00 H new ATOM 0 HD3 LYS C 31 -7.814 -11.892 -1.029 1.00 0.00 H new ATOM 0 HE2 LYS C 31 -6.533 -9.690 -0.181 1.00 0.00 H new ATOM 0 HE3 LYS C 31 -6.734 -9.213 -1.855 1.00 0.00 H new ATOM 0 HZ1 LYS C 31 -8.829 -8.693 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS C 31 -9.171 -10.286 -0.950 1.00 0.00 H new ATOM 0 HZ3 LYS C 31 -8.633 -9.155 0.196 1.00 0.00 H new ATOM 2236 N GLN C 32 -2.324 -13.379 -1.865 1.00 0.00 N ATOM 2237 CA GLN C 32 -1.893 -14.760 -1.691 1.00 0.00 C ATOM 2238 C GLN C 32 -0.659 -14.860 -0.799 1.00 0.00 C ATOM 2239 O GLN C 32 -0.563 -15.757 0.038 1.00 0.00 O ATOM 2240 CB GLN C 32 -1.605 -15.401 -3.048 1.00 0.00 C ATOM 2241 CG GLN C 32 -1.362 -16.899 -2.972 1.00 0.00 C ATOM 2242 CD GLN C 32 -2.562 -17.658 -2.441 1.00 0.00 C ATOM 2243 OE1 GLN C 32 -2.621 -18.002 -1.261 1.00 0.00 O ATOM 2244 NE2 GLN C 32 -3.527 -17.925 -3.313 1.00 0.00 N ATOM 0 H GLN C 32 -2.237 -13.027 -2.818 1.00 0.00 H new ATOM 0 HA GLN C 32 -2.706 -15.296 -1.201 1.00 0.00 H new ATOM 0 HB2 GLN C 32 -2.445 -15.211 -3.716 1.00 0.00 H new ATOM 0 HB3 GLN C 32 -0.731 -14.921 -3.489 1.00 0.00 H new ATOM 0 HG2 GLN C 32 -1.110 -17.273 -3.964 1.00 0.00 H new ATOM 0 HG3 GLN C 32 -0.502 -17.092 -2.331 1.00 0.00 H new ATOM 0 HE21 GLN C 32 -3.437 -17.621 -4.282 1.00 0.00 H new ATOM 0 HE22 GLN C 32 -4.358 -18.434 -3.013 1.00 0.00 H new ATOM 2253 N PHE C 33 0.288 -13.940 -0.976 1.00 0.00 N ATOM 2254 CA PHE C 33 1.516 -13.923 -0.188 1.00 0.00 C ATOM 2255 C PHE C 33 1.276 -13.572 1.282 1.00 0.00 C ATOM 2256 O PHE C 33 1.763 -14.263 2.178 1.00 0.00 O ATOM 2257 CB PHE C 33 2.517 -12.963 -0.867 1.00 0.00 C ATOM 2258 CG PHE C 33 3.590 -12.387 0.016 1.00 0.00 C ATOM 2259 CD1 PHE C 33 4.472 -13.191 0.715 1.00 0.00 C ATOM 2260 CD2 PHE C 33 3.722 -11.010 0.113 1.00 0.00 C ATOM 2261 CE1 PHE C 33 5.461 -12.629 1.508 1.00 0.00 C ATOM 2262 CE2 PHE C 33 4.704 -10.444 0.899 1.00 0.00 C ATOM 2263 CZ PHE C 33 5.574 -11.252 1.601 1.00 0.00 C ATOM 0 H PHE C 33 0.225 -13.191 -1.665 1.00 0.00 H new ATOM 0 HA PHE C 33 1.936 -14.929 -0.165 1.00 0.00 H new ATOM 0 HB2 PHE C 33 2.998 -13.495 -1.688 1.00 0.00 H new ATOM 0 HB3 PHE C 33 1.956 -12.138 -1.307 1.00 0.00 H new ATOM 0 HD1 PHE C 33 4.390 -14.265 0.643 1.00 0.00 H new ATOM 0 HD2 PHE C 33 3.046 -10.371 -0.435 1.00 0.00 H new ATOM 0 HE1 PHE C 33 6.143 -13.265 2.053 1.00 0.00 H new ATOM 0 HE2 PHE C 33 4.792 -9.370 0.965 1.00 0.00 H new ATOM 0 HZ PHE C 33 6.341 -10.812 2.221 1.00 0.00 H new ATOM 2273 N PHE C 34 0.539 -12.496 1.531 1.00 0.00 N ATOM 2274 CA PHE C 34 0.261 -12.068 2.899 1.00 0.00 C ATOM 2275 C PHE C 34 -0.807 -12.909 3.601 1.00 0.00 C ATOM 2276 O PHE C 34 -0.747 -13.090 4.817 1.00 0.00 O ATOM 2277 CB PHE C 34 -0.058 -10.576 2.947 1.00 0.00 C ATOM 2278 CG PHE C 34 1.195 -9.748 2.956 1.00 0.00 C ATOM 2279 CD1 PHE C 34 2.024 -9.765 4.067 1.00 0.00 C ATOM 2280 CD2 PHE C 34 1.567 -8.986 1.860 1.00 0.00 C ATOM 2281 CE1 PHE C 34 3.196 -9.038 4.091 1.00 0.00 C ATOM 2282 CE2 PHE C 34 2.744 -8.258 1.876 1.00 0.00 C ATOM 2283 CZ PHE C 34 3.559 -8.284 2.994 1.00 0.00 C ATOM 0 H PHE C 34 0.125 -11.906 0.809 1.00 0.00 H new ATOM 0 HA PHE C 34 1.175 -12.240 3.468 1.00 0.00 H new ATOM 0 HB2 PHE C 34 -0.669 -10.305 2.086 1.00 0.00 H new ATOM 0 HB3 PHE C 34 -0.647 -10.357 3.837 1.00 0.00 H new ATOM 0 HD1 PHE C 34 1.748 -10.357 4.927 1.00 0.00 H new ATOM 0 HD2 PHE C 34 0.933 -8.960 0.986 1.00 0.00 H new ATOM 0 HE1 PHE C 34 3.828 -9.059 4.966 1.00 0.00 H new ATOM 0 HE2 PHE C 34 3.026 -7.669 1.016 1.00 0.00 H new ATOM 0 HZ PHE C 34 4.477 -7.715 3.008 1.00 0.00 H new ATOM 2293 N ASN C 35 -1.771 -13.438 2.849 1.00 0.00 N ATOM 2294 CA ASN C 35 -2.817 -14.275 3.447 1.00 0.00 C ATOM 2295 C ASN C 35 -2.214 -15.434 4.241 1.00 0.00 C ATOM 2296 O ASN C 35 -2.784 -15.882 5.237 1.00 0.00 O ATOM 2297 CB ASN C 35 -3.783 -14.799 2.376 1.00 0.00 C ATOM 2298 CG ASN C 35 -4.880 -13.807 2.007 1.00 0.00 C ATOM 2299 OD1 ASN C 35 -4.605 -12.509 2.120 1.00 0.00 O flip ATOM 2300 ND2 ASN C 35 -5.981 -14.211 1.630 1.00 0.00 N flip ATOM 0 H ASN C 35 -1.852 -13.307 1.841 1.00 0.00 H new ATOM 0 HA ASN C 35 -3.381 -13.650 4.139 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -3.216 -15.052 1.480 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -4.243 -15.721 2.733 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -6.158 -15.213 1.555 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -6.715 -13.544 1.393 1.00 0.00 H new ATOM 2307 N ASP C 36 -1.054 -15.902 3.800 1.00 0.00 N ATOM 2308 CA ASP C 36 -0.347 -16.996 4.463 1.00 0.00 C ATOM 2309 C ASP C 36 0.050 -16.630 5.899 1.00 0.00 C ATOM 2310 O ASP C 36 0.365 -17.507 6.703 1.00 0.00 O ATOM 2311 CB ASP C 36 0.895 -17.387 3.660 1.00 0.00 C ATOM 2312 CG ASP C 36 0.562 -18.271 2.474 1.00 0.00 C ATOM 2313 OD1 ASP C 36 -0.257 -17.850 1.631 1.00 0.00 O ATOM 2314 OD2 ASP C 36 1.121 -19.385 2.389 1.00 0.00 O ATOM 0 H ASP C 36 -0.576 -15.537 2.976 1.00 0.00 H new ATOM 0 HA ASP C 36 -1.028 -17.845 4.512 1.00 0.00 H new ATOM 0 HB2 ASP C 36 1.396 -16.485 3.308 1.00 0.00 H new ATOM 0 HB3 ASP C 36 1.597 -17.907 4.312 1.00 0.00 H new ATOM 2319 N ASN C 37 0.052 -15.332 6.212 1.00 0.00 N ATOM 2320 CA ASN C 37 0.428 -14.870 7.551 1.00 0.00 C ATOM 2321 C ASN C 37 -0.795 -14.474 8.376 1.00 0.00 C ATOM 2322 O ASN C 37 -0.726 -14.418 9.604 1.00 0.00 O ATOM 2323 CB ASN C 37 1.388 -13.679 7.475 1.00 0.00 C ATOM 2324 CG ASN C 37 2.405 -13.805 6.359 1.00 0.00 C ATOM 2325 OD1 ASN C 37 2.287 -12.941 5.360 1.00 0.00 O flip ATOM 2326 ND2 ASN C 37 3.289 -14.662 6.397 1.00 0.00 N flip ATOM 0 H ASN C 37 -0.200 -14.587 5.562 1.00 0.00 H new ATOM 0 HA ASN C 37 0.927 -15.706 8.041 1.00 0.00 H new ATOM 0 HB2 ASN C 37 0.812 -12.765 7.332 1.00 0.00 H new ATOM 0 HB3 ASN C 37 1.911 -13.581 8.426 1.00 0.00 H new ATOM 0 HD21 ASN C 37 3.341 -15.306 7.186 1.00 0.00 H new ATOM 0 HD22 ASN C 37 3.969 -14.727 5.639 1.00 0.00 H new ATOM 2333 N GLY C 38 -1.914 -14.200 7.707 1.00 0.00 N ATOM 2334 CA GLY C 38 -3.124 -13.816 8.416 1.00 0.00 C ATOM 2335 C GLY C 38 -3.709 -12.492 7.944 1.00 0.00 C ATOM 2336 O GLY C 38 -4.550 -11.908 8.627 1.00 0.00 O ATOM 0 H GLY C 38 -2.004 -14.237 6.692 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -3.872 -14.599 8.293 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -2.905 -13.748 9.482 1.00 0.00 H new ATOM 2340 N VAL C 39 -3.278 -12.017 6.777 1.00 0.00 N ATOM 2341 CA VAL C 39 -3.787 -10.762 6.235 1.00 0.00 C ATOM 2342 C VAL C 39 -5.026 -11.020 5.384 1.00 0.00 C ATOM 2343 O VAL C 39 -5.105 -12.029 4.683 1.00 0.00 O ATOM 2344 CB VAL C 39 -2.723 -10.039 5.382 1.00 0.00 C ATOM 2345 CG1 VAL C 39 -3.227 -8.675 4.927 1.00 0.00 C ATOM 2346 CG2 VAL C 39 -1.425 -9.900 6.162 1.00 0.00 C ATOM 0 H VAL C 39 -2.582 -12.480 6.193 1.00 0.00 H new ATOM 0 HA VAL C 39 -4.045 -10.122 7.079 1.00 0.00 H new ATOM 0 HB VAL C 39 -2.530 -10.640 4.493 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -2.460 -8.185 4.328 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -4.129 -8.802 4.328 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -3.453 -8.061 5.799 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -0.684 -9.388 5.548 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -1.605 -9.323 7.069 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -1.054 -10.889 6.430 1.00 0.00 H new ATOM 2356 N ASP C 40 -5.996 -10.114 5.449 1.00 0.00 N ATOM 2357 CA ASP C 40 -7.227 -10.266 4.682 1.00 0.00 C ATOM 2358 C ASP C 40 -7.894 -8.916 4.437 1.00 0.00 C ATOM 2359 O ASP C 40 -7.371 -7.872 4.823 1.00 0.00 O ATOM 2360 CB ASP C 40 -8.197 -11.196 5.417 1.00 0.00 C ATOM 2361 CG ASP C 40 -7.630 -12.589 5.608 1.00 0.00 C ATOM 2362 OD1 ASP C 40 -7.517 -13.328 4.608 1.00 0.00 O ATOM 2363 OD2 ASP C 40 -7.300 -12.942 6.761 1.00 0.00 O ATOM 0 H ASP C 40 -5.954 -9.271 6.022 1.00 0.00 H new ATOM 0 HA ASP C 40 -6.969 -10.702 3.717 1.00 0.00 H new ATOM 0 HB2 ASP C 40 -8.439 -10.769 6.390 1.00 0.00 H new ATOM 0 HB3 ASP C 40 -9.130 -11.260 4.856 1.00 0.00 H new ATOM 2368 N GLY C 41 -9.056 -8.952 3.790 1.00 0.00 N ATOM 2369 CA GLY C 41 -9.786 -7.732 3.497 1.00 0.00 C ATOM 2370 C GLY C 41 -9.964 -7.515 2.007 1.00 0.00 C ATOM 2371 O GLY C 41 -10.131 -8.472 1.251 1.00 0.00 O ATOM 0 H GLY C 41 -9.505 -9.807 3.463 1.00 0.00 H new ATOM 0 HA2 GLY C 41 -10.764 -7.772 3.976 1.00 0.00 H new ATOM 0 HA3 GLY C 41 -9.256 -6.882 3.926 1.00 0.00 H new ATOM 2375 N GLU C 42 -9.934 -6.256 1.582 1.00 0.00 N ATOM 2376 CA GLU C 42 -10.097 -5.926 0.172 1.00 0.00 C ATOM 2377 C GLU C 42 -9.312 -4.669 -0.189 1.00 0.00 C ATOM 2378 O GLU C 42 -9.018 -3.838 0.671 1.00 0.00 O ATOM 2379 CB GLU C 42 -11.577 -5.732 -0.160 1.00 0.00 C ATOM 2380 CG GLU C 42 -12.344 -7.037 -0.298 1.00 0.00 C ATOM 2381 CD GLU C 42 -13.657 -6.868 -1.036 1.00 0.00 C ATOM 2382 OE1 GLU C 42 -13.704 -6.061 -1.988 1.00 0.00 O ATOM 2383 OE2 GLU C 42 -14.639 -7.543 -0.663 1.00 0.00 O ATOM 0 H GLU C 42 -9.799 -5.450 2.192 1.00 0.00 H new ATOM 0 HA GLU C 42 -9.706 -6.756 -0.417 1.00 0.00 H new ATOM 0 HB2 GLU C 42 -12.040 -5.128 0.621 1.00 0.00 H new ATOM 0 HB3 GLU C 42 -11.662 -5.170 -1.090 1.00 0.00 H new ATOM 0 HG2 GLU C 42 -11.726 -7.763 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU C 42 -12.539 -7.446 0.693 1.00 0.00 H new ATOM 2390 N TRP C 43 -8.970 -4.541 -1.466 1.00 0.00 N ATOM 2391 CA TRP C 43 -8.215 -3.392 -1.947 1.00 0.00 C ATOM 2392 C TRP C 43 -9.076 -2.141 -1.992 1.00 0.00 C ATOM 2393 O TRP C 43 -10.098 -2.097 -2.676 1.00 0.00 O ATOM 2394 CB TRP C 43 -7.632 -3.679 -3.330 1.00 0.00 C ATOM 2395 CG TRP C 43 -6.442 -4.587 -3.287 1.00 0.00 C ATOM 2396 CD1 TRP C 43 -6.447 -5.946 -3.407 1.00 0.00 C ATOM 2397 CD2 TRP C 43 -5.075 -4.203 -3.107 1.00 0.00 C ATOM 2398 NE1 TRP C 43 -5.165 -6.432 -3.315 1.00 0.00 N ATOM 2399 CE2 TRP C 43 -4.304 -5.382 -3.132 1.00 0.00 C ATOM 2400 CE3 TRP C 43 -4.427 -2.977 -2.931 1.00 0.00 C ATOM 2401 CZ2 TRP C 43 -2.919 -5.369 -2.985 1.00 0.00 C ATOM 2402 CZ3 TRP C 43 -3.053 -2.966 -2.785 1.00 0.00 C ATOM 2403 CH2 TRP C 43 -2.311 -4.154 -2.813 1.00 0.00 C ATOM 0 H TRP C 43 -9.205 -5.222 -2.188 1.00 0.00 H new ATOM 0 HA TRP C 43 -7.399 -3.214 -1.246 1.00 0.00 H new ATOM 0 HB2 TRP C 43 -8.402 -4.128 -3.957 1.00 0.00 H new ATOM 0 HB3 TRP C 43 -7.347 -2.738 -3.800 1.00 0.00 H new ATOM 0 HD1 TRP C 43 -7.329 -6.551 -3.553 1.00 0.00 H new ATOM 0 HE1 TRP C 43 -4.898 -7.415 -3.373 1.00 0.00 H new ATOM 0 HE3 TRP C 43 -4.990 -2.055 -2.910 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 -2.345 -6.284 -3.006 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 -2.542 -2.025 -2.647 1.00 0.00 H new ATOM 0 HH2 TRP C 43 -1.238 -4.111 -2.697 1.00 0.00 H new ATOM 2414 N THR C 44 -8.646 -1.125 -1.259 1.00 0.00 N ATOM 2415 CA THR C 44 -9.359 0.140 -1.207 1.00 0.00 C ATOM 2416 C THR C 44 -8.533 1.241 -1.857 1.00 0.00 C ATOM 2417 O THR C 44 -7.322 1.327 -1.656 1.00 0.00 O ATOM 2418 CB THR C 44 -9.683 0.513 0.239 1.00 0.00 C ATOM 2419 OG1 THR C 44 -8.495 0.669 0.994 1.00 0.00 O ATOM 2420 CG2 THR C 44 -10.546 -0.513 0.943 1.00 0.00 C ATOM 0 H THR C 44 -7.801 -1.154 -0.689 1.00 0.00 H new ATOM 0 HA THR C 44 -10.294 0.030 -1.757 1.00 0.00 H new ATOM 0 HB THR C 44 -10.238 1.449 0.179 1.00 0.00 H new ATOM 0 HG1 THR C 44 -7.718 0.520 0.416 1.00 0.00 H new ATOM 0 HG21 THR C 44 -10.738 -0.187 1.965 1.00 0.00 H new ATOM 0 HG22 THR C 44 -11.492 -0.619 0.412 1.00 0.00 H new ATOM 0 HG23 THR C 44 -10.030 -1.473 0.960 1.00 0.00 H new ATOM 2428 N TYR C 45 -9.204 2.084 -2.624 1.00 0.00 N ATOM 2429 CA TYR C 45 -8.543 3.194 -3.298 1.00 0.00 C ATOM 2430 C TYR C 45 -8.101 4.249 -2.291 1.00 0.00 C ATOM 2431 O TYR C 45 -8.797 4.515 -1.311 1.00 0.00 O ATOM 2432 CB TYR C 45 -9.471 3.816 -4.342 1.00 0.00 C ATOM 2433 CG TYR C 45 -9.518 3.048 -5.642 1.00 0.00 C ATOM 2434 CD1 TYR C 45 -8.549 3.242 -6.618 1.00 0.00 C ATOM 2435 CD2 TYR C 45 -10.526 2.126 -5.894 1.00 0.00 C ATOM 2436 CE1 TYR C 45 -8.583 2.542 -7.809 1.00 0.00 C ATOM 2437 CE2 TYR C 45 -10.568 1.421 -7.081 1.00 0.00 C ATOM 2438 CZ TYR C 45 -9.595 1.632 -8.035 1.00 0.00 C ATOM 2439 OH TYR C 45 -9.633 0.932 -9.219 1.00 0.00 O ATOM 0 H TYR C 45 -10.207 2.022 -2.797 1.00 0.00 H new ATOM 0 HA TYR C 45 -7.658 2.807 -3.804 1.00 0.00 H new ATOM 0 HB2 TYR C 45 -10.478 3.879 -3.930 1.00 0.00 H new ATOM 0 HB3 TYR C 45 -9.145 4.836 -4.544 1.00 0.00 H new ATOM 0 HD1 TYR C 45 -7.755 3.953 -6.443 1.00 0.00 H new ATOM 0 HD2 TYR C 45 -11.290 1.958 -5.149 1.00 0.00 H new ATOM 0 HE1 TYR C 45 -7.822 2.706 -8.558 1.00 0.00 H new ATOM 0 HE2 TYR C 45 -11.359 0.708 -7.261 1.00 0.00 H new ATOM 0 HH TYR C 45 -10.408 0.332 -9.219 1.00 0.00 H new ATOM 2449 N ASP C 46 -6.938 4.844 -2.533 1.00 0.00 N ATOM 2450 CA ASP C 46 -6.407 5.866 -1.641 1.00 0.00 C ATOM 2451 C ASP C 46 -7.211 7.159 -1.760 1.00 0.00 C ATOM 2452 O ASP C 46 -7.893 7.385 -2.758 1.00 0.00 O ATOM 2453 CB ASP C 46 -4.937 6.146 -1.965 1.00 0.00 C ATOM 2454 CG ASP C 46 -4.077 4.902 -1.884 1.00 0.00 C ATOM 2455 OD1 ASP C 46 -4.567 3.816 -2.255 1.00 0.00 O ATOM 2456 OD2 ASP C 46 -2.911 5.014 -1.449 1.00 0.00 O ATOM 0 H ASP C 46 -6.347 4.636 -3.338 1.00 0.00 H new ATOM 0 HA ASP C 46 -6.485 5.494 -0.619 1.00 0.00 H new ATOM 0 HB2 ASP C 46 -4.864 6.570 -2.967 1.00 0.00 H new ATOM 0 HB3 ASP C 46 -4.552 6.895 -1.273 1.00 0.00 H new ATOM 2461 N ASP C 47 -7.131 7.998 -0.733 1.00 0.00 N ATOM 2462 CA ASP C 47 -7.857 9.264 -0.725 1.00 0.00 C ATOM 2463 C ASP C 47 -7.320 10.205 -1.801 1.00 0.00 C ATOM 2464 O ASP C 47 -6.110 10.388 -1.928 1.00 0.00 O ATOM 2465 CB ASP C 47 -7.750 9.928 0.649 1.00 0.00 C ATOM 2466 CG ASP C 47 -6.311 10.162 1.067 1.00 0.00 C ATOM 2467 OD1 ASP C 47 -5.494 9.227 0.929 1.00 0.00 O ATOM 2468 OD2 ASP C 47 -6.002 11.281 1.531 1.00 0.00 O ATOM 0 H ASP C 47 -6.572 7.826 0.103 1.00 0.00 H new ATOM 0 HA ASP C 47 -8.905 9.055 -0.939 1.00 0.00 H new ATOM 0 HB2 ASP C 47 -8.280 10.880 0.632 1.00 0.00 H new ATOM 0 HB3 ASP C 47 -8.244 9.302 1.392 1.00 0.00 H new ATOM 2473 N ALA C 48 -8.229 10.790 -2.578 1.00 0.00 N ATOM 2474 CA ALA C 48 -7.852 11.706 -3.652 1.00 0.00 C ATOM 2475 C ALA C 48 -6.987 12.852 -3.137 1.00 0.00 C ATOM 2476 O ALA C 48 -7.210 13.375 -2.045 1.00 0.00 O ATOM 2477 CB ALA C 48 -9.096 12.249 -4.338 1.00 0.00 C ATOM 0 H ALA C 48 -9.234 10.645 -2.483 1.00 0.00 H new ATOM 0 HA ALA C 48 -7.260 11.146 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -8.803 12.931 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.670 11.423 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -9.708 12.783 -3.612 1.00 0.00 H new ATOM 2483 N THR C 49 -5.998 13.236 -3.938 1.00 0.00 N ATOM 2484 CA THR C 49 -5.089 14.319 -3.578 1.00 0.00 C ATOM 2485 C THR C 49 -4.850 15.243 -4.770 1.00 0.00 C ATOM 2486 O THR C 49 -5.021 14.840 -5.920 1.00 0.00 O ATOM 2487 CB THR C 49 -3.760 13.751 -3.079 1.00 0.00 C ATOM 2488 OG1 THR C 49 -3.980 12.729 -2.123 1.00 0.00 O ATOM 2489 CG2 THR C 49 -2.867 14.792 -2.440 1.00 0.00 C ATOM 0 H THR C 49 -5.805 12.811 -4.845 1.00 0.00 H new ATOM 0 HA THR C 49 -5.549 14.899 -2.778 1.00 0.00 H new ATOM 0 HB THR C 49 -3.260 13.362 -3.966 1.00 0.00 H new ATOM 0 HG1 THR C 49 -3.118 12.377 -1.817 1.00 0.00 H new ATOM 0 HG21 THR C 49 -1.941 14.323 -2.108 1.00 0.00 H new ATOM 0 HG22 THR C 49 -2.638 15.571 -3.167 1.00 0.00 H new ATOM 0 HG23 THR C 49 -3.377 15.233 -1.584 1.00 0.00 H new ATOM 2497 N LYS C 50 -4.461 16.484 -4.488 1.00 0.00 N ATOM 2498 CA LYS C 50 -4.207 17.461 -5.544 1.00 0.00 C ATOM 2499 C LYS C 50 -2.770 17.973 -5.487 1.00 0.00 C ATOM 2500 O LYS C 50 -2.302 18.436 -4.448 1.00 0.00 O ATOM 2501 CB LYS C 50 -5.181 18.634 -5.424 1.00 0.00 C ATOM 2502 CG LYS C 50 -6.507 18.399 -6.129 1.00 0.00 C ATOM 2503 CD LYS C 50 -7.570 19.376 -5.654 1.00 0.00 C ATOM 2504 CE LYS C 50 -8.950 18.738 -5.648 1.00 0.00 C ATOM 2505 NZ LYS C 50 -9.980 19.648 -5.076 1.00 0.00 N ATOM 0 H LYS C 50 -4.315 16.836 -3.542 1.00 0.00 H new ATOM 0 HA LYS C 50 -4.356 16.965 -6.503 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -5.370 18.832 -4.369 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -4.713 19.528 -5.837 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -6.371 18.502 -7.206 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -6.842 17.378 -5.946 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -7.324 19.723 -4.650 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -7.576 20.252 -6.302 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -9.229 18.468 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -8.920 17.814 -5.070 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -10.907 19.176 -5.090 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -9.727 19.886 -4.096 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -10.027 20.519 -5.642 1.00 0.00 H new ATOM 2519 N THR C 51 -2.079 17.884 -6.621 1.00 0.00 N ATOM 2520 CA THR C 51 -0.694 18.334 -6.721 1.00 0.00 C ATOM 2521 C THR C 51 -0.588 19.514 -7.689 1.00 0.00 C ATOM 2522 O THR C 51 -1.094 19.457 -8.810 1.00 0.00 O ATOM 2523 CB THR C 51 0.199 17.172 -7.175 1.00 0.00 C ATOM 2524 OG1 THR C 51 0.222 16.153 -6.191 1.00 0.00 O ATOM 2525 CG2 THR C 51 1.636 17.572 -7.443 1.00 0.00 C ATOM 0 H THR C 51 -2.459 17.502 -7.487 1.00 0.00 H new ATOM 0 HA THR C 51 -0.355 18.669 -5.741 1.00 0.00 H new ATOM 0 HB THR C 51 -0.240 16.825 -8.110 1.00 0.00 H new ATOM 0 HG1 THR C 51 0.794 15.418 -6.495 1.00 0.00 H new ATOM 0 HG21 THR C 51 2.204 16.697 -7.759 1.00 0.00 H new ATOM 0 HG22 THR C 51 1.663 18.326 -8.229 1.00 0.00 H new ATOM 0 HG23 THR C 51 2.076 17.981 -6.533 1.00 0.00 H new ATOM 2533 N PHE C 52 0.072 20.584 -7.248 1.00 0.00 N ATOM 2534 CA PHE C 52 0.243 21.774 -8.077 1.00 0.00 C ATOM 2535 C PHE C 52 1.392 21.607 -9.067 1.00 0.00 C ATOM 2536 O PHE C 52 2.537 21.394 -8.671 1.00 0.00 O ATOM 2537 CB PHE C 52 0.492 23.008 -7.205 1.00 0.00 C ATOM 2538 CG PHE C 52 0.326 24.305 -7.944 1.00 0.00 C ATOM 2539 CD1 PHE C 52 -0.937 24.804 -8.221 1.00 0.00 C ATOM 2540 CD2 PHE C 52 1.432 25.025 -8.364 1.00 0.00 C ATOM 2541 CE1 PHE C 52 -1.093 25.997 -8.902 1.00 0.00 C ATOM 2542 CE2 PHE C 52 1.283 26.218 -9.045 1.00 0.00 C ATOM 2543 CZ PHE C 52 0.019 26.705 -9.315 1.00 0.00 C ATOM 0 H PHE C 52 0.496 20.650 -6.323 1.00 0.00 H new ATOM 0 HA PHE C 52 -0.680 21.911 -8.641 1.00 0.00 H new ATOM 0 HB2 PHE C 52 -0.195 22.990 -6.359 1.00 0.00 H new ATOM 0 HB3 PHE C 52 1.502 22.958 -6.797 1.00 0.00 H new ATOM 0 HD1 PHE C 52 -1.810 24.254 -7.901 1.00 0.00 H new ATOM 0 HD2 PHE C 52 2.423 24.649 -8.157 1.00 0.00 H new ATOM 0 HE1 PHE C 52 -2.083 26.375 -9.111 1.00 0.00 H new ATOM 0 HE2 PHE C 52 2.154 26.769 -9.366 1.00 0.00 H new ATOM 0 HZ PHE C 52 -0.100 27.637 -9.848 1.00 0.00 H new ATOM 2553 N THR C 53 1.083 21.723 -10.354 1.00 0.00 N ATOM 2554 CA THR C 53 2.097 21.605 -11.395 1.00 0.00 C ATOM 2555 C THR C 53 2.585 22.990 -11.812 1.00 0.00 C ATOM 2556 O THR C 53 1.792 23.834 -12.230 1.00 0.00 O ATOM 2557 CB THR C 53 1.539 20.852 -12.606 1.00 0.00 C ATOM 2558 OG1 THR C 53 1.128 19.548 -12.237 1.00 0.00 O ATOM 2559 CG2 THR C 53 2.532 20.711 -13.741 1.00 0.00 C ATOM 0 H THR C 53 0.140 21.898 -10.701 1.00 0.00 H new ATOM 0 HA THR C 53 2.940 21.040 -10.997 1.00 0.00 H new ATOM 0 HB THR C 53 0.699 21.453 -12.954 1.00 0.00 H new ATOM 0 HG1 THR C 53 0.463 19.605 -11.520 1.00 0.00 H new ATOM 0 HG21 THR C 53 2.069 20.168 -14.564 1.00 0.00 H new ATOM 0 HG22 THR C 53 2.835 21.700 -14.084 1.00 0.00 H new ATOM 0 HG23 THR C 53 3.408 20.164 -13.392 1.00 0.00 H new ATOM 2567 N VAL C 54 3.887 23.224 -11.686 1.00 0.00 N ATOM 2568 CA VAL C 54 4.463 24.516 -12.043 1.00 0.00 C ATOM 2569 C VAL C 54 4.459 24.721 -13.552 1.00 0.00 C ATOM 2570 O VAL C 54 4.446 23.760 -14.322 1.00 0.00 O ATOM 2571 CB VAL C 54 5.908 24.671 -11.529 1.00 0.00 C ATOM 2572 CG1 VAL C 54 6.343 26.126 -11.604 1.00 0.00 C ATOM 2573 CG2 VAL C 54 6.042 24.142 -10.108 1.00 0.00 C ATOM 0 H VAL C 54 4.561 22.540 -11.341 1.00 0.00 H new ATOM 0 HA VAL C 54 3.837 25.270 -11.565 1.00 0.00 H new ATOM 0 HB VAL C 54 6.563 24.080 -12.169 1.00 0.00 H new ATOM 0 HG11 VAL C 54 7.365 26.219 -11.238 1.00 0.00 H new ATOM 0 HG12 VAL C 54 6.295 26.467 -12.638 1.00 0.00 H new ATOM 0 HG13 VAL C 54 5.680 26.736 -10.990 1.00 0.00 H new ATOM 0 HG21 VAL C 54 7.071 24.263 -9.770 1.00 0.00 H new ATOM 0 HG22 VAL C 54 5.375 24.698 -9.448 1.00 0.00 H new ATOM 0 HG23 VAL C 54 5.775 23.085 -10.086 1.00 0.00 H new ATOM 2583 N THR C 55 4.471 25.982 -13.967 1.00 0.00 N ATOM 2584 CA THR C 55 4.472 26.321 -15.386 1.00 0.00 C ATOM 2585 C THR C 55 5.230 27.616 -15.639 1.00 0.00 C ATOM 2586 O THR C 55 6.312 27.612 -16.227 1.00 0.00 O ATOM 2587 CB THR C 55 3.036 26.444 -15.903 1.00 0.00 C ATOM 2588 OG1 THR C 55 2.307 25.257 -15.643 1.00 0.00 O ATOM 2589 CG2 THR C 55 2.958 26.715 -17.390 1.00 0.00 C ATOM 0 H THR C 55 4.480 26.787 -13.341 1.00 0.00 H new ATOM 0 HA THR C 55 4.977 25.519 -15.924 1.00 0.00 H new ATOM 0 HB THR C 55 2.608 27.294 -15.372 1.00 0.00 H new ATOM 0 HG1 THR C 55 1.449 25.290 -16.115 1.00 0.00 H new ATOM 0 HG21 THR C 55 1.913 26.791 -17.692 1.00 0.00 H new ATOM 0 HG22 THR C 55 3.470 27.650 -17.617 1.00 0.00 H new ATOM 0 HG23 THR C 55 3.434 25.899 -17.934 1.00 0.00 H new ATOM 2597 N GLU C 56 4.654 28.724 -15.193 1.00 0.00 N ATOM 2598 CA GLU C 56 5.270 30.034 -15.369 1.00 0.00 C ATOM 2599 C GLU C 56 5.959 30.487 -14.086 1.00 0.00 C ATOM 2600 O GLU C 56 6.474 31.625 -14.062 1.00 0.00 O ATOM 2601 CB GLU C 56 4.219 31.063 -15.788 1.00 0.00 C ATOM 2602 CG GLU C 56 3.900 31.037 -17.274 1.00 0.00 C ATOM 2603 CD GLU C 56 3.163 32.279 -17.733 1.00 0.00 C ATOM 2604 OE1 GLU C 56 2.098 32.586 -17.155 1.00 0.00 O ATOM 2605 OE2 GLU C 56 3.648 32.945 -18.672 1.00 0.00 O ATOM 2606 OXT GLU C 56 5.975 29.702 -13.114 1.00 0.00 O ATOM 0 H GLU C 56 3.758 28.743 -14.705 1.00 0.00 H new ATOM 0 HA GLU C 56 6.021 29.952 -16.155 1.00 0.00 H new ATOM 0 HB2 GLU C 56 3.303 30.884 -15.225 1.00 0.00 H new ATOM 0 HB3 GLU C 56 4.570 32.059 -15.518 1.00 0.00 H new ATOM 0 HG2 GLU C 56 4.827 30.939 -17.839 1.00 0.00 H new ATOM 0 HG3 GLU C 56 3.296 30.157 -17.497 1.00 0.00 H new ATOM 2614 N MET D 1 0.912 2.341 -12.184 1.00 0.00 N ATOM 2615 CA MET D 1 -0.008 2.351 -11.017 1.00 0.00 C ATOM 2616 C MET D 1 0.763 2.231 -9.707 1.00 0.00 C ATOM 2617 O MET D 1 1.609 1.351 -9.554 1.00 0.00 O ATOM 2618 CB MET D 1 -0.994 1.191 -11.164 1.00 0.00 C ATOM 2619 CG MET D 1 -2.276 1.572 -11.888 1.00 0.00 C ATOM 2620 SD MET D 1 -3.615 1.991 -10.757 1.00 0.00 S ATOM 2621 CE MET D 1 -2.773 3.095 -9.626 1.00 0.00 C ATOM 0 H1 MET D 1 0.363 2.458 -13.060 1.00 0.00 H new ATOM 0 H2 MET D 1 1.594 3.122 -12.095 1.00 0.00 H new ATOM 0 H3 MET D 1 1.424 1.436 -12.215 1.00 0.00 H new ATOM 0 HA MET D 1 -0.547 3.298 -10.992 1.00 0.00 H new ATOM 0 HB2 MET D 1 -0.509 0.378 -11.705 1.00 0.00 H new ATOM 0 HB3 MET D 1 -1.245 0.810 -10.174 1.00 0.00 H new ATOM 0 HG2 MET D 1 -2.080 2.421 -12.543 1.00 0.00 H new ATOM 0 HG3 MET D 1 -2.589 0.744 -12.524 1.00 0.00 H new ATOM 0 HE1 MET D 1 -3.495 3.523 -8.930 1.00 0.00 H new ATOM 0 HE2 MET D 1 -2.018 2.539 -9.070 1.00 0.00 H new ATOM 0 HE3 MET D 1 -2.293 3.896 -10.189 1.00 0.00 H new ATOM 2633 N GLN D 2 0.463 3.120 -8.767 1.00 0.00 N ATOM 2634 CA GLN D 2 1.130 3.118 -7.470 1.00 0.00 C ATOM 2635 C GLN D 2 0.392 2.230 -6.474 1.00 0.00 C ATOM 2636 O GLN D 2 -0.787 2.440 -6.195 1.00 0.00 O ATOM 2637 CB GLN D 2 1.229 4.543 -6.923 1.00 0.00 C ATOM 2638 CG GLN D 2 2.335 4.726 -5.897 1.00 0.00 C ATOM 2639 CD GLN D 2 2.915 6.126 -5.910 1.00 0.00 C ATOM 2640 OE1 GLN D 2 4.092 6.321 -6.215 1.00 0.00 O ATOM 2641 NE2 GLN D 2 2.090 7.112 -5.578 1.00 0.00 N ATOM 0 H GLN D 2 -0.238 3.852 -8.879 1.00 0.00 H new ATOM 0 HA GLN D 2 2.134 2.716 -7.609 1.00 0.00 H new ATOM 0 HB2 GLN D 2 1.397 5.231 -7.752 1.00 0.00 H new ATOM 0 HB3 GLN D 2 0.276 4.816 -6.470 1.00 0.00 H new ATOM 0 HG2 GLN D 2 1.944 4.508 -4.903 1.00 0.00 H new ATOM 0 HG3 GLN D 2 3.129 4.006 -6.092 1.00 0.00 H new ATOM 0 HE21 GLN D 2 1.122 6.906 -5.332 1.00 0.00 H new ATOM 0 HE22 GLN D 2 2.424 8.076 -5.569 1.00 0.00 H new ATOM 2650 N TYR D 3 1.096 1.233 -5.946 1.00 0.00 N ATOM 2651 CA TYR D 3 0.511 0.308 -4.982 1.00 0.00 C ATOM 2652 C TYR D 3 1.020 0.577 -3.571 1.00 0.00 C ATOM 2653 O TYR D 3 2.226 0.660 -3.334 1.00 0.00 O ATOM 2654 CB TYR D 3 0.813 -1.138 -5.378 1.00 0.00 C ATOM 2655 CG TYR D 3 -0.106 -1.676 -6.451 1.00 0.00 C ATOM 2656 CD1 TYR D 3 -1.317 -2.271 -6.119 1.00 0.00 C ATOM 2657 CD2 TYR D 3 0.235 -1.588 -7.795 1.00 0.00 C ATOM 2658 CE1 TYR D 3 -2.161 -2.765 -7.094 1.00 0.00 C ATOM 2659 CE2 TYR D 3 -0.605 -2.079 -8.777 1.00 0.00 C ATOM 2660 CZ TYR D 3 -1.801 -2.666 -8.421 1.00 0.00 C ATOM 2661 OH TYR D 3 -2.640 -3.157 -9.395 1.00 0.00 O ATOM 0 H TYR D 3 2.073 1.045 -6.170 1.00 0.00 H new ATOM 0 HA TYR D 3 -0.568 0.464 -4.989 1.00 0.00 H new ATOM 0 HB2 TYR D 3 1.843 -1.202 -5.728 1.00 0.00 H new ATOM 0 HB3 TYR D 3 0.736 -1.772 -4.494 1.00 0.00 H new ATOM 0 HD1 TYR D 3 -1.603 -2.348 -5.080 1.00 0.00 H new ATOM 0 HD2 TYR D 3 1.171 -1.129 -8.077 1.00 0.00 H new ATOM 0 HE1 TYR D 3 -3.098 -3.226 -6.818 1.00 0.00 H new ATOM 0 HE2 TYR D 3 -0.326 -2.003 -9.818 1.00 0.00 H new ATOM 0 HH TYR D 3 -2.807 -4.109 -9.233 1.00 0.00 H new ATOM 2671 N LYS D 4 0.082 0.708 -2.639 1.00 0.00 N ATOM 2672 CA LYS D 4 0.416 0.968 -1.243 1.00 0.00 C ATOM 2673 C LYS D 4 0.200 -0.279 -0.390 1.00 0.00 C ATOM 2674 O LYS D 4 -0.833 -0.942 -0.485 1.00 0.00 O ATOM 2675 CB LYS D 4 -0.421 2.129 -0.700 1.00 0.00 C ATOM 2676 CG LYS D 4 0.273 3.477 -0.809 1.00 0.00 C ATOM 2677 CD LYS D 4 -0.284 4.476 0.193 1.00 0.00 C ATOM 2678 CE LYS D 4 0.017 5.907 -0.222 1.00 0.00 C ATOM 2679 NZ LYS D 4 -0.858 6.886 0.482 1.00 0.00 N ATOM 0 H LYS D 4 -0.918 0.638 -2.826 1.00 0.00 H new ATOM 0 HA LYS D 4 1.470 1.240 -1.193 1.00 0.00 H new ATOM 0 HB2 LYS D 4 -1.366 2.170 -1.242 1.00 0.00 H new ATOM 0 HB3 LYS D 4 -0.661 1.936 0.346 1.00 0.00 H new ATOM 0 HG2 LYS D 4 1.343 3.351 -0.642 1.00 0.00 H new ATOM 0 HG3 LYS D 4 0.152 3.868 -1.819 1.00 0.00 H new ATOM 0 HD2 LYS D 4 -1.362 4.341 0.282 1.00 0.00 H new ATOM 0 HD3 LYS D 4 0.144 4.284 1.177 1.00 0.00 H new ATOM 0 HE2 LYS D 4 1.061 6.135 -0.009 1.00 0.00 H new ATOM 0 HE3 LYS D 4 -0.118 6.009 -1.299 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 -0.621 7.850 0.171 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 -1.854 6.685 0.258 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 -0.711 6.807 1.509 1.00 0.00 H new ATOM 2693 N VAL D 5 1.187 -0.590 0.444 1.00 0.00 N ATOM 2694 CA VAL D 5 1.116 -1.754 1.320 1.00 0.00 C ATOM 2695 C VAL D 5 1.742 -1.447 2.675 1.00 0.00 C ATOM 2696 O VAL D 5 2.882 -0.990 2.750 1.00 0.00 O ATOM 2697 CB VAL D 5 1.829 -2.973 0.703 1.00 0.00 C ATOM 2698 CG1 VAL D 5 1.557 -4.223 1.523 1.00 0.00 C ATOM 2699 CG2 VAL D 5 1.397 -3.172 -0.743 1.00 0.00 C ATOM 0 H VAL D 5 2.048 -0.050 0.532 1.00 0.00 H new ATOM 0 HA VAL D 5 0.060 -1.993 1.448 1.00 0.00 H new ATOM 0 HB VAL D 5 2.903 -2.785 0.715 1.00 0.00 H new ATOM 0 HG11 VAL D 5 2.069 -5.073 1.071 1.00 0.00 H new ATOM 0 HG12 VAL D 5 1.922 -4.078 2.540 1.00 0.00 H new ATOM 0 HG13 VAL D 5 0.485 -4.416 1.547 1.00 0.00 H new ATOM 0 HG21 VAL D 5 1.912 -4.037 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL D 5 0.320 -3.337 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL D 5 1.650 -2.285 -1.324 1.00 0.00 H new ATOM 2709 N ILE D 6 0.995 -1.699 3.746 1.00 0.00 N ATOM 2710 CA ILE D 6 1.489 -1.446 5.093 1.00 0.00 C ATOM 2711 C ILE D 6 1.965 -2.730 5.766 1.00 0.00 C ATOM 2712 O ILE D 6 1.178 -3.646 6.007 1.00 0.00 O ATOM 2713 CB ILE D 6 0.405 -0.788 5.972 1.00 0.00 C ATOM 2714 CG1 ILE D 6 -0.215 0.405 5.242 1.00 0.00 C ATOM 2715 CG2 ILE D 6 0.994 -0.351 7.305 1.00 0.00 C ATOM 2716 CD1 ILE D 6 -1.492 0.908 5.882 1.00 0.00 C ATOM 0 H ILE D 6 0.048 -2.077 3.706 1.00 0.00 H new ATOM 0 HA ILE D 6 2.334 -0.764 4.993 1.00 0.00 H new ATOM 0 HB ILE D 6 -0.378 -1.521 6.167 1.00 0.00 H new ATOM 0 HG12 ILE D 6 0.510 1.218 5.210 1.00 0.00 H new ATOM 0 HG13 ILE D 6 -0.422 0.122 4.210 1.00 0.00 H new ATOM 0 HG21 ILE D 6 0.216 0.111 7.913 1.00 0.00 H new ATOM 0 HG22 ILE D 6 1.395 -1.219 7.828 1.00 0.00 H new ATOM 0 HG23 ILE D 6 1.794 0.369 7.131 1.00 0.00 H new ATOM 0 HD11 ILE D 6 -1.876 1.754 5.312 1.00 0.00 H new ATOM 0 HD12 ILE D 6 -2.234 0.110 5.890 1.00 0.00 H new ATOM 0 HD13 ILE D 6 -1.287 1.223 6.905 1.00 0.00 H new ATOM 2728 N LEU D 7 3.254 -2.785 6.088 1.00 0.00 N ATOM 2729 CA LEU D 7 3.827 -3.950 6.754 1.00 0.00 C ATOM 2730 C LEU D 7 4.087 -3.637 8.225 1.00 0.00 C ATOM 2731 O LEU D 7 4.826 -2.709 8.550 1.00 0.00 O ATOM 2732 CB LEU D 7 5.127 -4.385 6.065 1.00 0.00 C ATOM 2733 CG LEU D 7 4.959 -5.473 4.995 1.00 0.00 C ATOM 2734 CD1 LEU D 7 4.926 -4.857 3.606 1.00 0.00 C ATOM 2735 CD2 LEU D 7 6.074 -6.509 5.091 1.00 0.00 C ATOM 0 H LEU D 7 3.921 -2.037 5.899 1.00 0.00 H new ATOM 0 HA LEU D 7 3.114 -4.772 6.687 1.00 0.00 H new ATOM 0 HB2 LEU D 7 5.587 -3.511 5.604 1.00 0.00 H new ATOM 0 HB3 LEU D 7 5.820 -4.747 6.824 1.00 0.00 H new ATOM 0 HG LEU D 7 4.009 -5.977 5.174 1.00 0.00 H new ATOM 0 HD11 LEU D 7 4.806 -5.644 2.862 1.00 0.00 H new ATOM 0 HD12 LEU D 7 4.090 -4.161 3.536 1.00 0.00 H new ATOM 0 HD13 LEU D 7 5.858 -4.323 3.423 1.00 0.00 H new ATOM 0 HD21 LEU D 7 5.932 -7.269 4.322 1.00 0.00 H new ATOM 0 HD22 LEU D 7 7.038 -6.021 4.945 1.00 0.00 H new ATOM 0 HD23 LEU D 7 6.050 -6.979 6.074 1.00 0.00 H new ATOM 2950 N ASP D 22 7.318 -8.688 7.997 1.00 0.00 N ATOM 2951 CA ASP D 22 8.566 -7.974 8.241 1.00 0.00 C ATOM 2952 C ASP D 22 8.970 -7.140 7.036 1.00 0.00 C ATOM 2953 O ASP D 22 8.817 -7.556 5.890 1.00 0.00 O ATOM 2954 CB ASP D 22 9.676 -8.971 8.577 1.00 0.00 C ATOM 2955 CG ASP D 22 10.969 -8.288 8.971 1.00 0.00 C ATOM 2956 OD1 ASP D 22 11.006 -7.663 10.052 1.00 0.00 O ATOM 2957 OD2 ASP D 22 11.947 -8.377 8.199 1.00 0.00 O ATOM 0 HA ASP D 22 8.412 -7.300 9.083 1.00 0.00 H new ATOM 0 HB2 ASP D 22 9.346 -9.616 9.392 1.00 0.00 H new ATOM 0 HB3 ASP D 22 9.856 -9.613 7.715 1.00 0.00 H new ATOM 2962 N ALA D 23 9.487 -5.955 7.313 1.00 0.00 N ATOM 2963 CA ALA D 23 9.924 -5.038 6.272 1.00 0.00 C ATOM 2964 C ALA D 23 10.849 -5.730 5.267 1.00 0.00 C ATOM 2965 O ALA D 23 10.739 -5.519 4.058 1.00 0.00 O ATOM 2966 CB ALA D 23 10.613 -3.854 6.921 1.00 0.00 C ATOM 0 H ALA D 23 9.616 -5.602 8.261 1.00 0.00 H new ATOM 0 HA ALA D 23 9.054 -4.692 5.713 1.00 0.00 H new ATOM 0 HB1 ALA D 23 10.945 -3.159 6.150 1.00 0.00 H new ATOM 0 HB2 ALA D 23 9.916 -3.349 7.589 1.00 0.00 H new ATOM 0 HB3 ALA D 23 11.474 -4.202 7.491 1.00 0.00 H new ATOM 2972 N ALA D 24 11.754 -6.560 5.776 1.00 0.00 N ATOM 2973 CA ALA D 24 12.693 -7.290 4.929 1.00 0.00 C ATOM 2974 C ALA D 24 11.975 -8.329 4.068 1.00 0.00 C ATOM 2975 O ALA D 24 12.406 -8.633 2.957 1.00 0.00 O ATOM 2976 CB ALA D 24 13.761 -7.958 5.783 1.00 0.00 C ATOM 0 H ALA D 24 11.858 -6.745 6.774 1.00 0.00 H new ATOM 0 HA ALA D 24 13.169 -6.573 4.260 1.00 0.00 H new ATOM 0 HB1 ALA D 24 14.455 -8.499 5.140 1.00 0.00 H new ATOM 0 HB2 ALA D 24 14.304 -7.199 6.346 1.00 0.00 H new ATOM 0 HB3 ALA D 24 13.290 -8.655 6.476 1.00 0.00 H new ATOM 2982 N THR D 25 10.879 -8.872 4.594 1.00 0.00 N ATOM 2983 CA THR D 25 10.099 -9.881 3.881 1.00 0.00 C ATOM 2984 C THR D 25 9.501 -9.295 2.600 1.00 0.00 C ATOM 2985 O THR D 25 9.501 -9.939 1.550 1.00 0.00 O ATOM 2986 CB THR D 25 8.998 -10.432 4.806 1.00 0.00 C ATOM 2987 OG1 THR D 25 9.560 -11.267 5.801 1.00 0.00 O ATOM 2988 CG2 THR D 25 7.923 -11.236 4.101 1.00 0.00 C ATOM 0 H THR D 25 10.510 -8.629 5.514 1.00 0.00 H new ATOM 0 HA THR D 25 10.755 -10.702 3.592 1.00 0.00 H new ATOM 0 HB THR D 25 8.528 -9.544 5.228 1.00 0.00 H new ATOM 0 HG1 THR D 25 8.848 -11.608 6.382 1.00 0.00 H new ATOM 0 HG21 THR D 25 7.191 -11.583 4.830 1.00 0.00 H new ATOM 0 HG22 THR D 25 7.427 -10.609 3.360 1.00 0.00 H new ATOM 0 HG23 THR D 25 8.377 -12.094 3.605 1.00 0.00 H new ATOM 2996 N PHE D 26 9.012 -8.065 2.691 1.00 0.00 N ATOM 2997 CA PHE D 26 8.432 -7.387 1.537 1.00 0.00 C ATOM 2998 C PHE D 26 9.497 -7.094 0.482 1.00 0.00 C ATOM 2999 O PHE D 26 9.297 -7.338 -0.707 1.00 0.00 O ATOM 3000 CB PHE D 26 7.750 -6.086 1.962 1.00 0.00 C ATOM 3001 CG PHE D 26 6.861 -5.504 0.900 1.00 0.00 C ATOM 3002 CD1 PHE D 26 5.559 -5.953 0.745 1.00 0.00 C ATOM 3003 CD2 PHE D 26 7.329 -4.511 0.054 1.00 0.00 C ATOM 3004 CE1 PHE D 26 4.740 -5.422 -0.232 1.00 0.00 C ATOM 3005 CE2 PHE D 26 6.514 -3.976 -0.926 1.00 0.00 C ATOM 3006 CZ PHE D 26 5.217 -4.432 -1.069 1.00 0.00 C ATOM 0 H PHE D 26 9.005 -7.516 3.551 1.00 0.00 H new ATOM 0 HA PHE D 26 7.686 -8.052 1.102 1.00 0.00 H new ATOM 0 HB2 PHE D 26 7.159 -6.270 2.859 1.00 0.00 H new ATOM 0 HB3 PHE D 26 8.513 -5.354 2.228 1.00 0.00 H new ATOM 0 HD1 PHE D 26 5.180 -6.727 1.396 1.00 0.00 H new ATOM 0 HD2 PHE D 26 8.342 -4.151 0.162 1.00 0.00 H new ATOM 0 HE1 PHE D 26 3.727 -5.781 -0.342 1.00 0.00 H new ATOM 0 HE2 PHE D 26 6.890 -3.203 -1.579 1.00 0.00 H new ATOM 0 HZ PHE D 26 4.578 -4.015 -1.833 1.00 0.00 H new ATOM 3016 N GLU D 27 10.624 -6.555 0.935 1.00 0.00 N ATOM 3017 CA GLU D 27 11.732 -6.201 0.050 1.00 0.00 C ATOM 3018 C GLU D 27 12.192 -7.384 -0.800 1.00 0.00 C ATOM 3019 O GLU D 27 12.343 -7.263 -2.016 1.00 0.00 O ATOM 3020 CB GLU D 27 12.906 -5.675 0.879 1.00 0.00 C ATOM 3021 CG GLU D 27 13.972 -4.975 0.053 1.00 0.00 C ATOM 3022 CD GLU D 27 15.376 -5.265 0.546 1.00 0.00 C ATOM 3023 OE1 GLU D 27 15.796 -6.440 0.485 1.00 0.00 O ATOM 3024 OE2 GLU D 27 16.056 -4.318 0.993 1.00 0.00 O ATOM 0 H GLU D 27 10.796 -6.352 1.920 1.00 0.00 H new ATOM 0 HA GLU D 27 11.375 -5.427 -0.630 1.00 0.00 H new ATOM 0 HB2 GLU D 27 12.527 -4.982 1.630 1.00 0.00 H new ATOM 0 HB3 GLU D 27 13.362 -6.507 1.415 1.00 0.00 H new ATOM 0 HG2 GLU D 27 13.884 -5.288 -0.987 1.00 0.00 H new ATOM 0 HG3 GLU D 27 13.797 -3.899 0.078 1.00 0.00 H new ATOM 3031 N LYS D 28 12.450 -8.515 -0.153 1.00 0.00 N ATOM 3032 CA LYS D 28 12.932 -9.704 -0.849 1.00 0.00 C ATOM 3033 C LYS D 28 11.884 -10.290 -1.794 1.00 0.00 C ATOM 3034 O LYS D 28 12.200 -10.652 -2.927 1.00 0.00 O ATOM 3035 CB LYS D 28 13.362 -10.765 0.166 1.00 0.00 C ATOM 3036 CG LYS D 28 14.127 -11.925 -0.452 1.00 0.00 C ATOM 3037 CD LYS D 28 14.154 -13.130 0.474 1.00 0.00 C ATOM 3038 CE LYS D 28 15.115 -12.921 1.633 1.00 0.00 C ATOM 3039 NZ LYS D 28 14.918 -13.931 2.709 1.00 0.00 N ATOM 0 H LYS D 28 12.334 -8.634 0.853 1.00 0.00 H new ATOM 0 HA LYS D 28 13.785 -9.399 -1.455 1.00 0.00 H new ATOM 0 HB2 LYS D 28 13.984 -10.296 0.928 1.00 0.00 H new ATOM 0 HB3 LYS D 28 12.477 -11.152 0.671 1.00 0.00 H new ATOM 0 HG2 LYS D 28 13.665 -12.203 -1.400 1.00 0.00 H new ATOM 0 HG3 LYS D 28 15.147 -11.612 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS D 28 13.152 -13.316 0.860 1.00 0.00 H new ATOM 0 HD3 LYS D 28 14.448 -14.016 -0.089 1.00 0.00 H new ATOM 0 HE2 LYS D 28 16.141 -12.975 1.268 1.00 0.00 H new ATOM 0 HE3 LYS D 28 14.975 -11.921 2.044 1.00 0.00 H new ATOM 0 HZ1 LYS D 28 15.593 -13.753 3.480 1.00 0.00 H new ATOM 0 HZ2 LYS D 28 13.947 -13.863 3.076 1.00 0.00 H new ATOM 0 HZ3 LYS D 28 15.076 -14.884 2.324 1.00 0.00 H new ATOM 3053 N VAL D 29 10.644 -10.392 -1.329 1.00 0.00 N ATOM 3054 CA VAL D 29 9.567 -10.948 -2.145 1.00 0.00 C ATOM 3055 C VAL D 29 9.306 -10.117 -3.400 1.00 0.00 C ATOM 3056 O VAL D 29 9.073 -10.667 -4.474 1.00 0.00 O ATOM 3057 CB VAL D 29 8.253 -11.065 -1.341 1.00 0.00 C ATOM 3058 CG1 VAL D 29 7.130 -11.643 -2.200 1.00 0.00 C ATOM 3059 CG2 VAL D 29 8.468 -11.912 -0.095 1.00 0.00 C ATOM 0 H VAL D 29 10.359 -10.099 -0.395 1.00 0.00 H new ATOM 0 HA VAL D 29 9.900 -11.941 -2.446 1.00 0.00 H new ATOM 0 HB VAL D 29 7.954 -10.063 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL D 29 6.218 -11.713 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL D 29 6.956 -10.993 -3.057 1.00 0.00 H new ATOM 0 HG13 VAL D 29 7.413 -12.636 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL D 29 7.533 -11.985 0.461 1.00 0.00 H new ATOM 0 HG22 VAL D 29 8.796 -12.910 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL D 29 9.229 -11.448 0.533 1.00 0.00 H new ATOM 3069 N VAL D 30 9.327 -8.797 -3.257 1.00 0.00 N ATOM 3070 CA VAL D 30 9.064 -7.909 -4.385 1.00 0.00 C ATOM 3071 C VAL D 30 10.169 -7.971 -5.431 1.00 0.00 C ATOM 3072 O VAL D 30 9.893 -8.085 -6.625 1.00 0.00 O ATOM 3073 CB VAL D 30 8.868 -6.448 -3.927 1.00 0.00 C ATOM 3074 CG1 VAL D 30 8.460 -5.563 -5.098 1.00 0.00 C ATOM 3075 CG2 VAL D 30 7.833 -6.371 -2.815 1.00 0.00 C ATOM 0 H VAL D 30 9.522 -8.319 -2.377 1.00 0.00 H new ATOM 0 HA VAL D 30 8.139 -8.262 -4.840 1.00 0.00 H new ATOM 0 HB VAL D 30 9.819 -6.083 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL D 30 8.328 -4.538 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL D 30 9.237 -5.590 -5.862 1.00 0.00 H new ATOM 0 HG13 VAL D 30 7.523 -5.927 -5.520 1.00 0.00 H new ATOM 0 HG21 VAL D 30 7.708 -5.333 -2.505 1.00 0.00 H new ATOM 0 HG22 VAL D 30 6.881 -6.759 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL D 30 8.167 -6.966 -1.965 1.00 0.00 H new ATOM 3085 N LYS D 31 11.420 -7.898 -4.993 1.00 0.00 N ATOM 3086 CA LYS D 31 12.545 -7.947 -5.915 1.00 0.00 C ATOM 3087 C LYS D 31 12.585 -9.281 -6.653 1.00 0.00 C ATOM 3088 O LYS D 31 12.759 -9.324 -7.869 1.00 0.00 O ATOM 3089 CB LYS D 31 13.855 -7.732 -5.150 1.00 0.00 C ATOM 3090 CG LYS D 31 15.092 -7.760 -6.033 1.00 0.00 C ATOM 3091 CD LYS D 31 16.212 -6.915 -5.445 1.00 0.00 C ATOM 3092 CE LYS D 31 15.847 -5.440 -5.429 1.00 0.00 C ATOM 3093 NZ LYS D 31 17.051 -4.569 -5.522 1.00 0.00 N ATOM 0 H LYS D 31 11.679 -7.805 -4.011 1.00 0.00 H new ATOM 0 HA LYS D 31 12.422 -7.152 -6.651 1.00 0.00 H new ATOM 0 HB2 LYS D 31 13.810 -6.773 -4.633 1.00 0.00 H new ATOM 0 HB3 LYS D 31 13.949 -8.502 -4.385 1.00 0.00 H new ATOM 0 HG2 LYS D 31 15.433 -8.788 -6.151 1.00 0.00 H new ATOM 0 HG3 LYS D 31 14.840 -7.392 -7.027 1.00 0.00 H new ATOM 0 HD2 LYS D 31 16.427 -7.249 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS D 31 17.122 -7.059 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS D 31 15.177 -5.223 -6.261 1.00 0.00 H new ATOM 0 HE3 LYS D 31 15.303 -5.211 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS D 31 17.097 -3.951 -4.687 1.00 0.00 H new ATOM 0 HZ2 LYS D 31 17.905 -5.161 -5.563 1.00 0.00 H new ATOM 0 HZ3 LYS D 31 16.992 -3.986 -6.381 1.00 0.00 H new ATOM 3107 N GLN D 32 12.416 -10.364 -5.908 1.00 0.00 N ATOM 3108 CA GLN D 32 12.429 -11.700 -6.490 1.00 0.00 C ATOM 3109 C GLN D 32 11.248 -11.921 -7.430 1.00 0.00 C ATOM 3110 O GLN D 32 11.397 -12.526 -8.490 1.00 0.00 O ATOM 3111 CB GLN D 32 12.421 -12.759 -5.387 1.00 0.00 C ATOM 3112 CG GLN D 32 12.655 -14.170 -5.899 1.00 0.00 C ATOM 3113 CD GLN D 32 14.005 -14.332 -6.569 1.00 0.00 C ATOM 3114 OE1 GLN D 32 14.114 -14.287 -7.794 1.00 0.00 O ATOM 3115 NE2 GLN D 32 15.045 -14.522 -5.765 1.00 0.00 N ATOM 0 H GLN D 32 12.268 -10.345 -4.899 1.00 0.00 H new ATOM 0 HA GLN D 32 13.344 -11.792 -7.075 1.00 0.00 H new ATOM 0 HB2 GLN D 32 13.190 -12.515 -4.654 1.00 0.00 H new ATOM 0 HB3 GLN D 32 11.463 -12.724 -4.868 1.00 0.00 H new ATOM 0 HG2 GLN D 32 12.580 -14.871 -5.068 1.00 0.00 H new ATOM 0 HG3 GLN D 32 11.869 -14.430 -6.607 1.00 0.00 H new ATOM 0 HE21 GLN D 32 14.910 -14.553 -4.754 1.00 0.00 H new ATOM 0 HE22 GLN D 32 15.979 -14.637 -6.158 1.00 0.00 H new ATOM 3124 N PHE D 33 10.072 -11.431 -7.041 1.00 0.00 N ATOM 3125 CA PHE D 33 8.863 -11.573 -7.848 1.00 0.00 C ATOM 3126 C PHE D 33 8.911 -10.758 -9.143 1.00 0.00 C ATOM 3127 O PHE D 33 8.625 -11.281 -10.221 1.00 0.00 O ATOM 3128 CB PHE D 33 7.647 -11.210 -6.970 1.00 0.00 C ATOM 3129 CG PHE D 33 6.407 -10.768 -7.699 1.00 0.00 C ATOM 3130 CD1 PHE D 33 5.788 -11.572 -8.640 1.00 0.00 C ATOM 3131 CD2 PHE D 33 5.849 -9.535 -7.403 1.00 0.00 C ATOM 3132 CE1 PHE D 33 4.637 -11.144 -9.284 1.00 0.00 C ATOM 3133 CE2 PHE D 33 4.703 -9.103 -8.039 1.00 0.00 C ATOM 3134 CZ PHE D 33 4.098 -9.905 -8.982 1.00 0.00 C ATOM 0 H PHE D 33 9.931 -10.928 -6.165 1.00 0.00 H new ATOM 0 HA PHE D 33 8.778 -12.608 -8.178 1.00 0.00 H new ATOM 0 HB2 PHE D 33 7.394 -12.077 -6.360 1.00 0.00 H new ATOM 0 HB3 PHE D 33 7.944 -10.415 -6.286 1.00 0.00 H new ATOM 0 HD1 PHE D 33 6.205 -12.540 -8.875 1.00 0.00 H new ATOM 0 HD2 PHE D 33 6.318 -8.903 -6.664 1.00 0.00 H new ATOM 0 HE1 PHE D 33 4.162 -11.776 -10.020 1.00 0.00 H new ATOM 0 HE2 PHE D 33 4.281 -8.138 -7.798 1.00 0.00 H new ATOM 0 HZ PHE D 33 3.204 -9.567 -9.485 1.00 0.00 H new ATOM 3144 N PHE D 34 9.265 -9.483 -9.038 1.00 0.00 N ATOM 3145 CA PHE D 34 9.332 -8.617 -10.212 1.00 0.00 C ATOM 3146 C PHE D 34 10.575 -8.843 -11.075 1.00 0.00 C ATOM 3147 O PHE D 34 10.518 -8.674 -12.293 1.00 0.00 O ATOM 3148 CB PHE D 34 9.166 -7.151 -9.815 1.00 0.00 C ATOM 3149 CG PHE D 34 7.718 -6.791 -9.644 1.00 0.00 C ATOM 3150 CD1 PHE D 34 6.884 -6.747 -10.752 1.00 0.00 C ATOM 3151 CD2 PHE D 34 7.180 -6.530 -8.395 1.00 0.00 C ATOM 3152 CE1 PHE D 34 5.544 -6.446 -10.620 1.00 0.00 C ATOM 3153 CE2 PHE D 34 5.835 -6.232 -8.256 1.00 0.00 C ATOM 3154 CZ PHE D 34 5.017 -6.191 -9.372 1.00 0.00 C ATOM 0 H PHE D 34 9.509 -9.027 -8.159 1.00 0.00 H new ATOM 0 HA PHE D 34 8.493 -8.896 -10.849 1.00 0.00 H new ATOM 0 HB2 PHE D 34 9.702 -6.961 -8.885 1.00 0.00 H new ATOM 0 HB3 PHE D 34 9.614 -6.513 -10.577 1.00 0.00 H new ATOM 0 HD1 PHE D 34 7.290 -6.951 -11.732 1.00 0.00 H new ATOM 0 HD2 PHE D 34 7.815 -6.559 -7.522 1.00 0.00 H new ATOM 0 HE1 PHE D 34 4.909 -6.410 -11.493 1.00 0.00 H new ATOM 0 HE2 PHE D 34 5.424 -6.032 -7.277 1.00 0.00 H new ATOM 0 HZ PHE D 34 3.968 -5.960 -9.265 1.00 0.00 H new ATOM 3164 N ASN D 35 11.689 -9.239 -10.462 1.00 0.00 N ATOM 3165 CA ASN D 35 12.914 -9.499 -11.224 1.00 0.00 C ATOM 3166 C ASN D 35 12.666 -10.510 -12.346 1.00 0.00 C ATOM 3167 O ASN D 35 13.300 -10.454 -13.400 1.00 0.00 O ATOM 3168 CB ASN D 35 14.045 -9.979 -10.305 1.00 0.00 C ATOM 3169 CG ASN D 35 14.793 -8.843 -9.616 1.00 0.00 C ATOM 3170 OD1 ASN D 35 14.123 -7.721 -9.366 1.00 0.00 O flip ATOM 3171 ND2 ASN D 35 15.982 -8.973 -9.321 1.00 0.00 N flip ATOM 0 H ASN D 35 11.772 -9.386 -9.456 1.00 0.00 H new ATOM 0 HA ASN D 35 13.222 -8.558 -11.680 1.00 0.00 H new ATOM 0 HB2 ASN D 35 13.629 -10.642 -9.546 1.00 0.00 H new ATOM 0 HB3 ASN D 35 14.752 -10.567 -10.890 1.00 0.00 H new ATOM 0 HD21 ASN D 35 16.466 -9.847 -9.527 1.00 0.00 H new ATOM 0 HD22 ASN D 35 16.483 -8.207 -8.871 1.00 0.00 H new ATOM 3178 N ASP D 36 11.732 -11.423 -12.111 1.00 0.00 N ATOM 3179 CA ASP D 36 11.371 -12.444 -13.091 1.00 0.00 C ATOM 3180 C ASP D 36 10.812 -11.826 -14.380 1.00 0.00 C ATOM 3181 O ASP D 36 10.749 -12.488 -15.414 1.00 0.00 O ATOM 3182 CB ASP D 36 10.353 -13.415 -12.494 1.00 0.00 C ATOM 3183 CG ASP D 36 11.000 -14.451 -11.595 1.00 0.00 C ATOM 3184 OD1 ASP D 36 11.687 -14.053 -10.629 1.00 0.00 O ATOM 3185 OD2 ASP D 36 10.821 -15.659 -11.856 1.00 0.00 O ATOM 0 H ASP D 36 11.204 -11.478 -11.240 1.00 0.00 H new ATOM 0 HA ASP D 36 12.281 -12.986 -13.349 1.00 0.00 H new ATOM 0 HB2 ASP D 36 9.612 -12.855 -11.924 1.00 0.00 H new ATOM 0 HB3 ASP D 36 9.820 -13.919 -13.300 1.00 0.00 H new ATOM 3190 N ASN D 37 10.391 -10.561 -14.308 1.00 0.00 N ATOM 3191 CA ASN D 37 9.827 -9.876 -15.475 1.00 0.00 C ATOM 3192 C ASN D 37 10.824 -8.897 -16.094 1.00 0.00 C ATOM 3193 O ASN D 37 10.679 -8.514 -17.256 1.00 0.00 O ATOM 3194 CB ASN D 37 8.545 -9.121 -15.105 1.00 0.00 C ATOM 3195 CG ASN D 37 7.675 -9.872 -14.119 1.00 0.00 C ATOM 3196 OD1 ASN D 37 7.566 -9.335 -12.910 1.00 0.00 O flip ATOM 3197 ND2 ASN D 37 7.103 -10.913 -14.440 1.00 0.00 N flip ATOM 0 H ASN D 37 10.429 -9.993 -13.461 1.00 0.00 H new ATOM 0 HA ASN D 37 9.594 -10.648 -16.208 1.00 0.00 H new ATOM 0 HB2 ASN D 37 8.811 -8.153 -14.681 1.00 0.00 H new ATOM 0 HB3 ASN D 37 7.971 -8.926 -16.011 1.00 0.00 H new ATOM 0 HD21 ASN D 37 7.217 -11.288 -15.382 1.00 0.00 H new ATOM 0 HD22 ASN D 37 6.515 -11.401 -13.764 1.00 0.00 H new ATOM 3204 N GLY D 38 11.833 -8.491 -15.323 1.00 0.00 N ATOM 3205 CA GLY D 38 12.826 -7.562 -15.837 1.00 0.00 C ATOM 3206 C GLY D 38 12.988 -6.314 -14.980 1.00 0.00 C ATOM 3207 O GLY D 38 13.570 -5.326 -15.428 1.00 0.00 O ATOM 0 H GLY D 38 11.979 -8.787 -14.358 1.00 0.00 H new ATOM 0 HA2 GLY D 38 13.787 -8.072 -15.909 1.00 0.00 H new ATOM 0 HA3 GLY D 38 12.546 -7.266 -16.848 1.00 0.00 H new ATOM 3211 N VAL D 39 12.489 -6.353 -13.745 1.00 0.00 N ATOM 3212 CA VAL D 39 12.605 -5.212 -12.844 1.00 0.00 C ATOM 3213 C VAL D 39 13.902 -5.301 -12.047 1.00 0.00 C ATOM 3214 O VAL D 39 14.325 -6.391 -11.662 1.00 0.00 O ATOM 3215 CB VAL D 39 11.411 -5.134 -11.871 1.00 0.00 C ATOM 3216 CG1 VAL D 39 11.483 -3.872 -11.022 1.00 0.00 C ATOM 3217 CG2 VAL D 39 10.099 -5.193 -12.637 1.00 0.00 C ATOM 0 H VAL D 39 12.004 -7.158 -13.349 1.00 0.00 H new ATOM 0 HA VAL D 39 12.609 -4.310 -13.456 1.00 0.00 H new ATOM 0 HB VAL D 39 11.459 -5.992 -11.201 1.00 0.00 H new ATOM 0 HG11 VAL D 39 10.630 -3.840 -10.344 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.407 -3.875 -10.443 1.00 0.00 H new ATOM 0 HG13 VAL D 39 11.464 -2.996 -11.670 1.00 0.00 H new ATOM 0 HG21 VAL D 39 9.266 -5.137 -11.936 1.00 0.00 H new ATOM 0 HG22 VAL D 39 10.046 -4.355 -13.332 1.00 0.00 H new ATOM 0 HG23 VAL D 39 10.044 -6.129 -13.192 1.00 0.00 H new ATOM 3227 N ASP D 40 14.535 -4.157 -11.806 1.00 0.00 N ATOM 3228 CA ASP D 40 15.787 -4.130 -11.059 1.00 0.00 C ATOM 3229 C ASP D 40 16.010 -2.768 -10.407 1.00 0.00 C ATOM 3230 O ASP D 40 15.169 -1.875 -10.502 1.00 0.00 O ATOM 3231 CB ASP D 40 16.964 -4.462 -11.981 1.00 0.00 C ATOM 3232 CG ASP D 40 16.852 -5.847 -12.587 1.00 0.00 C ATOM 3233 OD1 ASP D 40 17.031 -6.835 -11.845 1.00 0.00 O ATOM 3234 OD2 ASP D 40 16.588 -5.943 -13.803 1.00 0.00 O ATOM 0 H ASP D 40 14.204 -3.243 -12.115 1.00 0.00 H new ATOM 0 HA ASP D 40 15.723 -4.882 -10.273 1.00 0.00 H new ATOM 0 HB2 ASP D 40 17.016 -3.722 -12.780 1.00 0.00 H new ATOM 0 HB3 ASP D 40 17.895 -4.389 -11.418 1.00 0.00 H new ATOM 3239 N GLY D 41 17.153 -2.622 -9.745 1.00 0.00 N ATOM 3240 CA GLY D 41 17.480 -1.372 -9.080 1.00 0.00 C ATOM 3241 C GLY D 41 17.653 -1.549 -7.584 1.00 0.00 C ATOM 3242 O GLY D 41 18.144 -2.581 -7.129 1.00 0.00 O ATOM 0 H GLY D 41 17.862 -3.350 -9.656 1.00 0.00 H new ATOM 0 HA2 GLY D 41 18.398 -0.965 -9.505 1.00 0.00 H new ATOM 0 HA3 GLY D 41 16.691 -0.644 -9.269 1.00 0.00 H new ATOM 3246 N GLU D 42 17.251 -0.540 -6.816 1.00 0.00 N ATOM 3247 CA GLU D 42 17.370 -0.596 -5.363 1.00 0.00 C ATOM 3248 C GLU D 42 16.250 0.194 -4.693 1.00 0.00 C ATOM 3249 O GLU D 42 15.673 1.103 -5.290 1.00 0.00 O ATOM 3250 CB GLU D 42 18.730 -0.055 -4.921 1.00 0.00 C ATOM 3251 CG GLU D 42 19.870 -1.040 -5.123 1.00 0.00 C ATOM 3252 CD GLU D 42 21.098 -0.687 -4.308 1.00 0.00 C ATOM 3253 OE1 GLU D 42 20.936 -0.219 -3.162 1.00 0.00 O ATOM 3254 OE2 GLU D 42 22.223 -0.878 -4.817 1.00 0.00 O ATOM 0 H GLU D 42 16.842 0.323 -7.174 1.00 0.00 H new ATOM 0 HA GLU D 42 17.285 -1.639 -5.056 1.00 0.00 H new ATOM 0 HB2 GLU D 42 18.947 0.858 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU D 42 18.678 0.217 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU D 42 19.533 -2.040 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU D 42 20.136 -1.070 -6.180 1.00 0.00 H new ATOM 3261 N TRP D 43 15.947 -0.165 -3.451 1.00 0.00 N ATOM 3262 CA TRP D 43 14.893 0.505 -2.695 1.00 0.00 C ATOM 3263 C TRP D 43 15.323 1.894 -2.255 1.00 0.00 C ATOM 3264 O TRP D 43 16.312 2.056 -1.538 1.00 0.00 O ATOM 3265 CB TRP D 43 14.495 -0.334 -1.481 1.00 0.00 C ATOM 3266 CG TRP D 43 13.647 -1.516 -1.836 1.00 0.00 C ATOM 3267 CD1 TRP D 43 14.081 -2.780 -2.111 1.00 0.00 C ATOM 3268 CD2 TRP D 43 12.221 -1.544 -1.964 1.00 0.00 C ATOM 3269 NE1 TRP D 43 13.012 -3.594 -2.398 1.00 0.00 N ATOM 3270 CE2 TRP D 43 11.858 -2.858 -2.314 1.00 0.00 C ATOM 3271 CE3 TRP D 43 11.216 -0.585 -1.813 1.00 0.00 C ATOM 3272 CZ2 TRP D 43 10.534 -3.237 -2.515 1.00 0.00 C ATOM 3273 CZ3 TRP D 43 9.901 -0.961 -2.014 1.00 0.00 C ATOM 3274 CH2 TRP D 43 9.570 -2.277 -2.361 1.00 0.00 C ATOM 0 H TRP D 43 16.416 -0.916 -2.945 1.00 0.00 H new ATOM 0 HA TRP D 43 14.030 0.613 -3.351 1.00 0.00 H new ATOM 0 HB2 TRP D 43 15.396 -0.680 -0.975 1.00 0.00 H new ATOM 0 HB3 TRP D 43 13.954 0.295 -0.774 1.00 0.00 H new ATOM 0 HD1 TRP D 43 15.114 -3.095 -2.104 1.00 0.00 H new ATOM 0 HE1 TRP D 43 13.068 -4.585 -2.635 1.00 0.00 H new ATOM 0 HE3 TRP D 43 11.462 0.432 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP D 43 10.276 -4.251 -2.783 1.00 0.00 H new ATOM 0 HZ3 TRP D 43 9.116 -0.228 -1.902 1.00 0.00 H new ATOM 0 HH2 TRP D 43 8.533 -2.540 -2.510 1.00 0.00 H new ATOM 3285 N THR D 44 14.563 2.891 -2.687 1.00 0.00 N ATOM 3286 CA THR D 44 14.844 4.273 -2.341 1.00 0.00 C ATOM 3287 C THR D 44 13.749 4.828 -1.442 1.00 0.00 C ATOM 3288 O THR D 44 12.562 4.588 -1.667 1.00 0.00 O ATOM 3289 CB THR D 44 14.968 5.125 -3.605 1.00 0.00 C ATOM 3290 OG1 THR D 44 13.756 5.109 -4.339 1.00 0.00 O ATOM 3291 CG2 THR D 44 16.074 4.667 -4.530 1.00 0.00 C ATOM 0 H THR D 44 13.743 2.765 -3.281 1.00 0.00 H new ATOM 0 HA THR D 44 15.791 4.307 -1.802 1.00 0.00 H new ATOM 0 HB THR D 44 15.205 6.130 -3.256 1.00 0.00 H new ATOM 0 HG1 THR D 44 13.065 4.647 -3.820 1.00 0.00 H new ATOM 0 HG21 THR D 44 16.107 5.314 -5.406 1.00 0.00 H new ATOM 0 HG22 THR D 44 17.029 4.716 -4.007 1.00 0.00 H new ATOM 0 HG23 THR D 44 15.884 3.641 -4.844 1.00 0.00 H new ATOM 3299 N TYR D 45 14.158 5.580 -0.434 1.00 0.00 N ATOM 3300 CA TYR D 45 13.217 6.187 0.498 1.00 0.00 C ATOM 3301 C TYR D 45 12.421 7.292 -0.184 1.00 0.00 C ATOM 3302 O TYR D 45 12.951 8.030 -1.014 1.00 0.00 O ATOM 3303 CB TYR D 45 13.954 6.742 1.718 1.00 0.00 C ATOM 3304 CG TYR D 45 14.298 5.688 2.745 1.00 0.00 C ATOM 3305 CD1 TYR D 45 13.361 5.281 3.687 1.00 0.00 C ATOM 3306 CD2 TYR D 45 15.554 5.099 2.773 1.00 0.00 C ATOM 3307 CE1 TYR D 45 13.667 4.317 4.628 1.00 0.00 C ATOM 3308 CE2 TYR D 45 15.869 4.133 3.710 1.00 0.00 C ATOM 3309 CZ TYR D 45 14.922 3.746 4.635 1.00 0.00 C ATOM 3310 OH TYR D 45 15.231 2.784 5.570 1.00 0.00 O ATOM 0 H TYR D 45 15.138 5.786 -0.238 1.00 0.00 H new ATOM 0 HA TYR D 45 12.522 5.416 0.831 1.00 0.00 H new ATOM 0 HB2 TYR D 45 14.871 7.229 1.388 1.00 0.00 H new ATOM 0 HB3 TYR D 45 13.337 7.508 2.188 1.00 0.00 H new ATOM 0 HD1 TYR D 45 12.377 5.726 3.683 1.00 0.00 H new ATOM 0 HD2 TYR D 45 16.298 5.400 2.050 1.00 0.00 H new ATOM 0 HE1 TYR D 45 12.928 4.012 5.354 1.00 0.00 H new ATOM 0 HE2 TYR D 45 16.851 3.684 3.718 1.00 0.00 H new ATOM 0 HH TYR D 45 16.154 2.484 5.437 1.00 0.00 H new ATOM 3320 N ASP D 46 11.144 7.400 0.167 1.00 0.00 N ATOM 3321 CA ASP D 46 10.278 8.415 -0.419 1.00 0.00 C ATOM 3322 C ASP D 46 10.644 9.802 0.099 1.00 0.00 C ATOM 3323 O ASP D 46 11.263 9.937 1.154 1.00 0.00 O ATOM 3324 CB ASP D 46 8.812 8.116 -0.096 1.00 0.00 C ATOM 3325 CG ASP D 46 8.379 6.745 -0.572 1.00 0.00 C ATOM 3326 OD1 ASP D 46 9.203 5.808 -0.512 1.00 0.00 O ATOM 3327 OD2 ASP D 46 7.214 6.606 -1.003 1.00 0.00 O ATOM 0 H ASP D 46 10.687 6.799 0.853 1.00 0.00 H new ATOM 0 HA ASP D 46 10.418 8.395 -1.500 1.00 0.00 H new ATOM 0 HB2 ASP D 46 8.659 8.188 0.981 1.00 0.00 H new ATOM 0 HB3 ASP D 46 8.180 8.874 -0.559 1.00 0.00 H new ATOM 3332 N ASP D 47 10.260 10.830 -0.650 1.00 0.00 N ATOM 3333 CA ASP D 47 10.551 12.206 -0.262 1.00 0.00 C ATOM 3334 C ASP D 47 9.798 12.582 1.011 1.00 0.00 C ATOM 3335 O ASP D 47 8.597 12.337 1.126 1.00 0.00 O ATOM 3336 CB ASP D 47 10.176 13.166 -1.393 1.00 0.00 C ATOM 3337 CG ASP D 47 8.717 13.048 -1.791 1.00 0.00 C ATOM 3338 OD1 ASP D 47 8.239 11.907 -1.959 1.00 0.00 O ATOM 3339 OD2 ASP D 47 8.054 14.097 -1.933 1.00 0.00 O ATOM 0 H ASP D 47 9.748 10.737 -1.527 1.00 0.00 H new ATOM 0 HA ASP D 47 11.621 12.285 -0.067 1.00 0.00 H new ATOM 0 HB2 ASP D 47 10.383 14.190 -1.081 1.00 0.00 H new ATOM 0 HB3 ASP D 47 10.804 12.964 -2.261 1.00 0.00 H new ATOM 3344 N ALA D 48 10.514 13.169 1.965 1.00 0.00 N ATOM 3345 CA ALA D 48 9.921 13.571 3.238 1.00 0.00 C ATOM 3346 C ALA D 48 8.719 14.489 3.035 1.00 0.00 C ATOM 3347 O ALA D 48 8.715 15.343 2.148 1.00 0.00 O ATOM 3348 CB ALA D 48 10.964 14.253 4.110 1.00 0.00 C ATOM 0 H ALA D 48 11.509 13.378 1.881 1.00 0.00 H new ATOM 0 HA ALA D 48 9.567 12.670 3.739 1.00 0.00 H new ATOM 0 HB1 ALA D 48 10.510 14.548 5.056 1.00 0.00 H new ATOM 0 HB2 ALA D 48 11.786 13.563 4.301 1.00 0.00 H new ATOM 0 HB3 ALA D 48 11.344 15.137 3.598 1.00 0.00 H new ATOM 3354 N THR D 49 7.699 14.302 3.867 1.00 0.00 N ATOM 3355 CA THR D 49 6.483 15.104 3.792 1.00 0.00 C ATOM 3356 C THR D 49 6.024 15.524 5.185 1.00 0.00 C ATOM 3357 O THR D 49 6.364 14.883 6.179 1.00 0.00 O ATOM 3358 CB THR D 49 5.375 14.319 3.088 1.00 0.00 C ATOM 3359 OG1 THR D 49 5.857 13.737 1.891 1.00 0.00 O ATOM 3360 CG2 THR D 49 4.172 15.167 2.734 1.00 0.00 C ATOM 0 H THR D 49 7.691 13.598 4.605 1.00 0.00 H new ATOM 0 HA THR D 49 6.702 16.003 3.216 1.00 0.00 H new ATOM 0 HB THR D 49 5.064 13.556 3.801 1.00 0.00 H new ATOM 0 HG1 THR D 49 5.135 13.238 1.456 1.00 0.00 H new ATOM 0 HG21 THR D 49 3.424 14.549 2.237 1.00 0.00 H new ATOM 0 HG22 THR D 49 3.746 15.592 3.643 1.00 0.00 H new ATOM 0 HG23 THR D 49 4.478 15.972 2.066 1.00 0.00 H new ATOM 3368 N LYS D 50 5.254 16.607 5.254 1.00 0.00 N ATOM 3369 CA LYS D 50 4.757 17.109 6.532 1.00 0.00 C ATOM 3370 C LYS D 50 3.231 17.139 6.557 1.00 0.00 C ATOM 3371 O LYS D 50 2.593 17.708 5.672 1.00 0.00 O ATOM 3372 CB LYS D 50 5.307 18.512 6.797 1.00 0.00 C ATOM 3373 CG LYS D 50 6.673 18.514 7.466 1.00 0.00 C ATOM 3374 CD LYS D 50 7.354 19.866 7.334 1.00 0.00 C ATOM 3375 CE LYS D 50 8.862 19.720 7.218 1.00 0.00 C ATOM 3376 NZ LYS D 50 9.530 21.029 6.974 1.00 0.00 N ATOM 0 H LYS D 50 4.962 17.152 4.443 1.00 0.00 H new ATOM 0 HA LYS D 50 5.099 16.432 7.315 1.00 0.00 H new ATOM 0 HB2 LYS D 50 5.374 19.052 5.852 1.00 0.00 H new ATOM 0 HB3 LYS D 50 4.603 19.056 7.426 1.00 0.00 H new ATOM 0 HG2 LYS D 50 6.563 18.262 8.521 1.00 0.00 H new ATOM 0 HG3 LYS D 50 7.300 17.744 7.018 1.00 0.00 H new ATOM 0 HD2 LYS D 50 6.969 20.385 6.456 1.00 0.00 H new ATOM 0 HD3 LYS D 50 7.112 20.483 8.200 1.00 0.00 H new ATOM 0 HE2 LYS D 50 9.255 19.277 8.133 1.00 0.00 H new ATOM 0 HE3 LYS D 50 9.099 19.034 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 10.558 20.886 6.901 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 9.174 21.441 6.088 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 9.326 21.675 7.763 1.00 0.00 H new ATOM 3390 N THR D 51 2.656 16.520 7.586 1.00 0.00 N ATOM 3391 CA THR D 51 1.208 16.468 7.749 1.00 0.00 C ATOM 3392 C THR D 51 0.783 17.225 9.008 1.00 0.00 C ATOM 3393 O THR D 51 1.334 17.010 10.087 1.00 0.00 O ATOM 3394 CB THR D 51 0.743 15.005 7.808 1.00 0.00 C ATOM 3395 OG1 THR D 51 0.993 14.357 6.573 1.00 0.00 O ATOM 3396 CG2 THR D 51 -0.732 14.842 8.113 1.00 0.00 C ATOM 0 H THR D 51 3.177 16.045 8.323 1.00 0.00 H new ATOM 0 HA THR D 51 0.737 16.950 6.892 1.00 0.00 H new ATOM 0 HB THR D 51 1.312 14.559 8.624 1.00 0.00 H new ATOM 0 HG1 THR D 51 0.693 13.425 6.626 1.00 0.00 H new ATOM 0 HG21 THR D 51 -0.983 13.782 8.138 1.00 0.00 H new ATOM 0 HG22 THR D 51 -0.955 15.291 9.081 1.00 0.00 H new ATOM 0 HG23 THR D 51 -1.320 15.336 7.340 1.00 0.00 H new ATOM 3404 N PHE D 52 -0.198 18.114 8.863 1.00 0.00 N ATOM 3405 CA PHE D 52 -0.693 18.904 9.989 1.00 0.00 C ATOM 3406 C PHE D 52 -1.685 18.111 10.834 1.00 0.00 C ATOM 3407 O PHE D 52 -2.724 17.673 10.339 1.00 0.00 O ATOM 3408 CB PHE D 52 -1.355 20.192 9.494 1.00 0.00 C ATOM 3409 CG PHE D 52 -1.568 21.210 10.579 1.00 0.00 C ATOM 3410 CD1 PHE D 52 -0.513 21.980 11.042 1.00 0.00 C ATOM 3411 CD2 PHE D 52 -2.824 21.396 11.134 1.00 0.00 C ATOM 3412 CE1 PHE D 52 -0.706 22.915 12.039 1.00 0.00 C ATOM 3413 CE2 PHE D 52 -3.023 22.331 12.132 1.00 0.00 C ATOM 3414 CZ PHE D 52 -1.963 23.092 12.586 1.00 0.00 C ATOM 0 H PHE D 52 -0.666 18.305 7.977 1.00 0.00 H new ATOM 0 HA PHE D 52 0.165 19.156 10.612 1.00 0.00 H new ATOM 0 HB2 PHE D 52 -0.737 20.631 8.711 1.00 0.00 H new ATOM 0 HB3 PHE D 52 -2.316 19.947 9.042 1.00 0.00 H new ATOM 0 HD1 PHE D 52 0.471 21.847 10.618 1.00 0.00 H new ATOM 0 HD2 PHE D 52 -3.656 20.804 10.783 1.00 0.00 H new ATOM 0 HE1 PHE D 52 0.125 23.508 12.392 1.00 0.00 H new ATOM 0 HE2 PHE D 52 -4.007 22.467 12.557 1.00 0.00 H new ATOM 0 HZ PHE D 52 -2.116 23.823 13.366 1.00 0.00 H new ATOM 3424 N THR D 53 -1.370 17.945 12.113 1.00 0.00 N ATOM 3425 CA THR D 53 -2.247 17.224 13.027 1.00 0.00 C ATOM 3426 C THR D 53 -3.122 18.207 13.799 1.00 0.00 C ATOM 3427 O THR D 53 -2.615 19.100 14.478 1.00 0.00 O ATOM 3428 CB THR D 53 -1.426 16.370 13.998 1.00 0.00 C ATOM 3429 OG1 THR D 53 -0.643 15.424 13.291 1.00 0.00 O ATOM 3430 CG2 THR D 53 -2.271 15.607 14.996 1.00 0.00 C ATOM 0 H THR D 53 -0.514 18.300 12.540 1.00 0.00 H new ATOM 0 HA THR D 53 -2.888 16.563 12.444 1.00 0.00 H new ATOM 0 HB THR D 53 -0.802 17.078 14.544 1.00 0.00 H new ATOM 0 HG1 THR D 53 -0.087 15.888 12.630 1.00 0.00 H new ATOM 0 HG21 THR D 53 -1.623 15.024 15.651 1.00 0.00 H new ATOM 0 HG22 THR D 53 -2.853 16.310 15.592 1.00 0.00 H new ATOM 0 HG23 THR D 53 -2.946 14.937 14.464 1.00 0.00 H new ATOM 3438 N VAL D 54 -4.437 18.049 13.683 1.00 0.00 N ATOM 3439 CA VAL D 54 -5.370 18.937 14.367 1.00 0.00 C ATOM 3440 C VAL D 54 -5.360 18.693 15.870 1.00 0.00 C ATOM 3441 O VAL D 54 -5.010 17.607 16.333 1.00 0.00 O ATOM 3442 CB VAL D 54 -6.814 18.774 13.851 1.00 0.00 C ATOM 3443 CG1 VAL D 54 -7.678 19.935 14.317 1.00 0.00 C ATOM 3444 CG2 VAL D 54 -6.842 18.659 12.333 1.00 0.00 C ATOM 0 H VAL D 54 -4.879 17.318 13.125 1.00 0.00 H new ATOM 0 HA VAL D 54 -5.034 19.952 14.154 1.00 0.00 H new ATOM 0 HB VAL D 54 -7.221 17.851 14.265 1.00 0.00 H new ATOM 0 HG11 VAL D 54 -8.694 19.805 13.944 1.00 0.00 H new ATOM 0 HG12 VAL D 54 -7.692 19.964 15.407 1.00 0.00 H new ATOM 0 HG13 VAL D 54 -7.268 20.870 13.935 1.00 0.00 H new ATOM 0 HG21 VAL D 54 -7.872 18.545 11.996 1.00 0.00 H new ATOM 0 HG22 VAL D 54 -6.413 19.559 11.892 1.00 0.00 H new ATOM 0 HG23 VAL D 54 -6.261 17.791 12.023 1.00 0.00 H new ATOM 3454 N THR D 55 -5.748 19.713 16.628 1.00 0.00 N ATOM 3455 CA THR D 55 -5.787 19.613 18.082 1.00 0.00 C ATOM 3456 C THR D 55 -6.898 20.479 18.661 1.00 0.00 C ATOM 3457 O THR D 55 -7.896 19.971 19.170 1.00 0.00 O ATOM 3458 CB THR D 55 -4.438 20.020 18.679 1.00 0.00 C ATOM 3459 OG1 THR D 55 -3.390 19.244 18.125 1.00 0.00 O ATOM 3460 CG2 THR D 55 -4.377 19.866 20.183 1.00 0.00 C ATOM 0 H THR D 55 -6.040 20.618 16.259 1.00 0.00 H new ATOM 0 HA THR D 55 -5.993 18.575 18.343 1.00 0.00 H new ATOM 0 HB THR D 55 -4.321 21.076 18.434 1.00 0.00 H new ATOM 0 HG1 THR D 55 -2.564 19.405 18.627 1.00 0.00 H new ATOM 0 HG21 THR D 55 -3.394 20.172 20.540 1.00 0.00 H new ATOM 0 HG22 THR D 55 -5.141 20.492 20.644 1.00 0.00 H new ATOM 0 HG23 THR D 55 -4.552 18.824 20.449 1.00 0.00 H new ATOM 3468 N GLU D 56 -6.714 21.789 18.578 1.00 0.00 N ATOM 3469 CA GLU D 56 -7.698 22.736 19.092 1.00 0.00 C ATOM 3470 C GLU D 56 -8.551 23.301 17.961 1.00 0.00 C ATOM 3471 O GLU D 56 -9.395 24.178 18.241 1.00 0.00 O ATOM 3472 CB GLU D 56 -6.998 23.874 19.837 1.00 0.00 C ATOM 3473 CG GLU D 56 -6.625 23.527 21.269 1.00 0.00 C ATOM 3474 CD GLU D 56 -6.293 24.751 22.099 1.00 0.00 C ATOM 3475 OE1 GLU D 56 -5.413 25.532 21.680 1.00 0.00 O ATOM 3476 OE2 GLU D 56 -6.913 24.930 23.168 1.00 0.00 O ATOM 3477 OXT GLU D 56 -8.369 22.861 16.807 1.00 0.00 O ATOM 0 H GLU D 56 -5.891 22.223 18.159 1.00 0.00 H new ATOM 0 HA GLU D 56 -8.351 22.205 19.784 1.00 0.00 H new ATOM 0 HB2 GLU D 56 -6.095 24.152 19.293 1.00 0.00 H new ATOM 0 HB3 GLU D 56 -7.649 24.748 19.842 1.00 0.00 H new ATOM 0 HG2 GLU D 56 -7.451 22.990 21.735 1.00 0.00 H new ATOM 0 HG3 GLU D 56 -5.768 22.853 21.264 1.00 0.00 H new