USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 926 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 36 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: B 47 GLN : amide:sc= -1.67 K(o=-1.7,f=-5.5!) USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 47 GLN : amide:sc= -1.76 K(o=-1.8,f=-5.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 12 ASN : amide:sc= -1.73 K(o=-1.7,f=-3) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -1.78 K(o=-1.8,f=-6.2!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0151) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 180:sc= -0.0861 USER MOD Single : B 12 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.1) USER MOD Single : B 13 TYR OH : rot 180:sc=-0.00112 USER MOD Single : B 14 GLN : amide:sc= -1.76 K(o=-1.8,f=-6!) USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0126) USER MOD Single : B 23 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.3!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -4.284 -10.364 11.705 1.00 0.00 N ATOM 2 CA ALA A 2 -5.740 -10.491 11.408 1.00 0.00 C ATOM 3 C ALA A 2 -6.443 -9.150 11.640 1.00 0.00 C ATOM 4 O ALA A 2 -7.345 -9.043 12.451 1.00 0.00 O ATOM 5 CB ALA A 2 -6.251 -11.546 12.389 1.00 0.00 C ATOM 0 HA ALA A 2 -5.931 -10.773 10.373 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.319 -11.699 12.235 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.722 -12.485 12.222 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.076 -11.208 13.410 1.00 0.00 H new ATOM 13 N VAL A 3 -6.031 -8.128 10.934 1.00 0.00 N ATOM 14 CA VAL A 3 -6.665 -6.786 11.108 1.00 0.00 C ATOM 15 C VAL A 3 -7.681 -6.533 9.989 1.00 0.00 C ATOM 16 O VAL A 3 -7.511 -6.979 8.871 1.00 0.00 O ATOM 17 CB VAL A 3 -5.506 -5.784 11.027 1.00 0.00 C ATOM 18 CG1 VAL A 3 -6.035 -4.358 11.218 1.00 0.00 C ATOM 19 CG2 VAL A 3 -4.484 -6.091 12.127 1.00 0.00 C ATOM 0 H VAL A 3 -5.281 -8.165 10.243 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.206 -6.702 12.050 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.032 -5.868 10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.207 -3.652 11.159 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.761 -4.132 10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.514 -4.275 12.194 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.661 -5.379 12.068 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.964 -6.011 13.102 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.099 -7.102 11.994 1.00 0.00 H new ATOM 29 N GLU A 4 -8.732 -5.815 10.290 1.00 0.00 N ATOM 30 CA GLU A 4 -9.768 -5.516 9.257 1.00 0.00 C ATOM 31 C GLU A 4 -9.991 -4.003 9.169 1.00 0.00 C ATOM 32 O GLU A 4 -10.087 -3.328 10.177 1.00 0.00 O ATOM 33 CB GLU A 4 -11.033 -6.218 9.754 1.00 0.00 C ATOM 34 CG GLU A 4 -11.169 -7.579 9.068 1.00 0.00 C ATOM 35 CD GLU A 4 -12.512 -8.208 9.445 1.00 0.00 C ATOM 36 OE1 GLU A 4 -12.930 -8.027 10.577 1.00 0.00 O ATOM 37 OE2 GLU A 4 -13.099 -8.858 8.597 1.00 0.00 O ATOM 0 H GLU A 4 -8.918 -5.421 11.212 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.479 -5.857 8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.988 -6.348 10.835 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.908 -5.604 9.543 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.101 -7.462 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.351 -8.234 9.369 1.00 0.00 H new ATOM 44 N GLU A 5 -10.066 -3.464 7.976 1.00 0.00 N ATOM 45 CA GLU A 5 -10.274 -1.990 7.832 1.00 0.00 C ATOM 46 C GLU A 5 -10.938 -1.663 6.489 1.00 0.00 C ATOM 47 O GLU A 5 -10.970 -2.476 5.585 1.00 0.00 O ATOM 48 CB GLU A 5 -8.867 -1.382 7.894 1.00 0.00 C ATOM 49 CG GLU A 5 -8.677 -0.649 9.225 1.00 0.00 C ATOM 50 CD GLU A 5 -9.357 0.719 9.152 1.00 0.00 C ATOM 51 OE1 GLU A 5 -8.789 1.610 8.542 1.00 0.00 O ATOM 52 OE2 GLU A 5 -10.436 0.854 9.707 1.00 0.00 O ATOM 0 H GLU A 5 -9.992 -3.980 7.099 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.929 -1.595 8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.117 -2.166 7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.723 -0.691 7.064 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.101 -1.236 10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.615 -0.529 9.438 1.00 0.00 H new ATOM 59 N ILE A 6 -11.459 -0.469 6.358 1.00 0.00 N ATOM 60 CA ILE A 6 -12.119 -0.058 5.082 1.00 0.00 C ATOM 61 C ILE A 6 -11.606 1.324 4.662 1.00 0.00 C ATOM 62 O ILE A 6 -11.531 2.234 5.468 1.00 0.00 O ATOM 63 CB ILE A 6 -13.617 -0.012 5.406 1.00 0.00 C ATOM 64 CG1 ILE A 6 -14.088 -1.402 5.846 1.00 0.00 C ATOM 65 CG2 ILE A 6 -14.406 0.416 4.164 1.00 0.00 C ATOM 66 CD1 ILE A 6 -15.545 -1.334 6.322 1.00 0.00 C ATOM 0 H ILE A 6 -11.455 0.244 7.087 1.00 0.00 H new ATOM 0 HA ILE A 6 -11.910 -0.741 4.259 1.00 0.00 H new ATOM 0 HB ILE A 6 -13.786 0.706 6.208 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -14.000 -2.105 5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.451 -1.774 6.649 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -15.469 0.447 4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -14.076 1.405 3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -14.234 -0.299 3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -15.873 -2.326 6.633 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -15.621 -0.646 7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -16.178 -0.982 5.507 1.00 0.00 H new ATOM 78 N VAL A 7 -11.244 1.487 3.412 1.00 0.00 N ATOM 79 CA VAL A 7 -10.726 2.815 2.949 1.00 0.00 C ATOM 80 C VAL A 7 -11.461 3.274 1.685 1.00 0.00 C ATOM 81 O VAL A 7 -12.044 2.483 0.968 1.00 0.00 O ATOM 82 CB VAL A 7 -9.239 2.582 2.649 1.00 0.00 C ATOM 83 CG1 VAL A 7 -8.594 3.896 2.198 1.00 0.00 C ATOM 84 CG2 VAL A 7 -8.530 2.081 3.911 1.00 0.00 C ATOM 0 H VAL A 7 -11.284 0.763 2.695 1.00 0.00 H new ATOM 0 HA VAL A 7 -10.877 3.592 3.698 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.146 1.837 1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.538 3.729 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.093 4.256 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.692 4.639 2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.474 1.917 3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.627 2.825 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.984 1.145 4.236 1.00 0.00 H new ATOM 94 N LYS A 8 -11.424 4.555 1.410 1.00 0.00 N ATOM 95 CA LYS A 8 -12.105 5.092 0.194 1.00 0.00 C ATOM 96 C LYS A 8 -11.058 5.617 -0.795 1.00 0.00 C ATOM 97 O LYS A 8 -9.943 5.926 -0.419 1.00 0.00 O ATOM 98 CB LYS A 8 -12.982 6.237 0.708 1.00 0.00 C ATOM 99 CG LYS A 8 -13.859 6.763 -0.431 1.00 0.00 C ATOM 100 CD LYS A 8 -14.799 7.845 0.107 1.00 0.00 C ATOM 101 CE LYS A 8 -15.654 8.396 -1.037 1.00 0.00 C ATOM 102 NZ LYS A 8 -14.849 9.504 -1.622 1.00 0.00 N ATOM 0 H LYS A 8 -10.948 5.254 1.980 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.691 4.336 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.607 5.889 1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.357 7.040 1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.235 7.171 -1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.437 5.947 -0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.439 7.431 0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.221 8.649 0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.863 7.626 -1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.616 8.757 -0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.371 9.932 -2.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.671 10.226 -0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.942 9.130 -1.967 1.00 0.00 H new ATOM 116 N VAL A 9 -11.408 5.714 -2.053 1.00 0.00 N ATOM 117 CA VAL A 9 -10.430 6.215 -3.069 1.00 0.00 C ATOM 118 C VAL A 9 -10.607 7.723 -3.274 1.00 0.00 C ATOM 119 O VAL A 9 -11.698 8.249 -3.168 1.00 0.00 O ATOM 120 CB VAL A 9 -10.764 5.451 -4.356 1.00 0.00 C ATOM 121 CG1 VAL A 9 -9.826 5.896 -5.482 1.00 0.00 C ATOM 122 CG2 VAL A 9 -10.588 3.950 -4.119 1.00 0.00 C ATOM 0 H VAL A 9 -12.327 5.469 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.397 6.057 -2.761 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.796 5.661 -4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.068 5.350 -6.394 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.948 6.965 -5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.794 5.690 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.825 3.407 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.556 3.745 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.257 3.627 -3.321 1.00 0.00 H new ATOM 132 N SER A 10 -9.536 8.418 -3.570 1.00 0.00 N ATOM 133 CA SER A 10 -9.627 9.895 -3.789 1.00 0.00 C ATOM 134 C SER A 10 -8.301 10.435 -4.334 1.00 0.00 C ATOM 135 O SER A 10 -7.426 9.686 -4.719 1.00 0.00 O ATOM 136 CB SER A 10 -9.917 10.489 -2.410 1.00 0.00 C ATOM 137 OG SER A 10 -9.980 11.905 -2.514 1.00 0.00 O ATOM 0 H SER A 10 -8.600 8.025 -3.670 1.00 0.00 H new ATOM 0 HA SER A 10 -10.399 10.153 -4.514 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.859 10.099 -2.024 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.138 10.199 -1.705 1.00 0.00 H new ATOM 0 HG SER A 10 -10.167 12.290 -1.632 1.00 0.00 H new ATOM 143 N ARG A 11 -8.155 11.737 -4.362 1.00 0.00 N ATOM 144 CA ARG A 11 -6.896 12.368 -4.876 1.00 0.00 C ATOM 145 C ARG A 11 -6.600 11.909 -6.315 1.00 0.00 C ATOM 146 O ARG A 11 -6.976 12.576 -7.263 1.00 0.00 O ATOM 147 CB ARG A 11 -5.782 11.936 -3.910 1.00 0.00 C ATOM 148 CG ARG A 11 -5.537 13.044 -2.880 1.00 0.00 C ATOM 149 CD ARG A 11 -6.765 13.190 -1.976 1.00 0.00 C ATOM 150 NE ARG A 11 -6.223 13.579 -0.634 1.00 0.00 N ATOM 151 CZ ARG A 11 -6.995 13.611 0.435 1.00 0.00 C ATOM 152 NH1 ARG A 11 -8.277 13.339 0.367 1.00 0.00 N ATOM 153 NH2 ARG A 11 -6.475 13.930 1.589 1.00 0.00 N ATOM 0 H ARG A 11 -8.864 12.399 -4.047 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.980 13.454 -4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.063 11.012 -3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.866 11.731 -4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.658 12.808 -2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.333 13.987 -3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.448 13.948 -2.359 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.325 12.256 -1.919 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.237 13.824 -0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.700 13.095 -0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.851 13.371 1.210 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.482 14.151 1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.062 13.958 2.423 1.00 0.00 H new ATOM 167 N ASN A 12 -5.931 10.790 -6.496 1.00 0.00 N ATOM 168 CA ASN A 12 -5.623 10.322 -7.886 1.00 0.00 C ATOM 169 C ASN A 12 -5.105 8.876 -7.893 1.00 0.00 C ATOM 170 O ASN A 12 -3.920 8.631 -8.006 1.00 0.00 O ATOM 171 CB ASN A 12 -4.544 11.282 -8.402 1.00 0.00 C ATOM 172 CG ASN A 12 -3.326 11.254 -7.471 1.00 0.00 C ATOM 173 OD1 ASN A 12 -3.351 11.832 -6.403 1.00 0.00 O ATOM 174 ND2 ASN A 12 -2.256 10.602 -7.835 1.00 0.00 N ATOM 0 H ASN A 12 -5.589 10.187 -5.748 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.515 10.325 -8.512 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -4.247 10.999 -9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.944 12.294 -8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.441 10.578 -7.223 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.235 10.117 -8.732 1.00 0.00 H new ATOM 181 N TYR A 13 -5.994 7.915 -7.793 1.00 0.00 N ATOM 182 CA TYR A 13 -5.580 6.473 -7.816 1.00 0.00 C ATOM 183 C TYR A 13 -4.494 6.185 -6.772 1.00 0.00 C ATOM 184 O TYR A 13 -3.425 5.700 -7.097 1.00 0.00 O ATOM 185 CB TYR A 13 -5.037 6.229 -9.228 1.00 0.00 C ATOM 186 CG TYR A 13 -6.132 6.463 -10.242 1.00 0.00 C ATOM 187 CD1 TYR A 13 -7.191 5.553 -10.352 1.00 0.00 C ATOM 188 CD2 TYR A 13 -6.085 7.585 -11.075 1.00 0.00 C ATOM 189 CE1 TYR A 13 -8.201 5.767 -11.297 1.00 0.00 C ATOM 190 CE2 TYR A 13 -7.096 7.800 -12.019 1.00 0.00 C ATOM 191 CZ TYR A 13 -8.154 6.891 -12.130 1.00 0.00 C ATOM 192 OH TYR A 13 -9.150 7.101 -13.063 1.00 0.00 O ATOM 0 H TYR A 13 -6.998 8.069 -7.696 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.418 5.819 -7.576 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.197 6.895 -9.425 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.662 5.209 -9.313 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -7.228 4.687 -9.708 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.268 8.286 -10.990 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -9.017 5.065 -11.384 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.059 8.667 -12.662 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.966 7.927 -13.558 1.00 0.00 H new ATOM 202 N GLN A 14 -4.762 6.469 -5.523 1.00 0.00 N ATOM 203 CA GLN A 14 -3.744 6.197 -4.463 1.00 0.00 C ATOM 204 C GLN A 14 -4.374 5.424 -3.300 1.00 0.00 C ATOM 205 O GLN A 14 -5.562 5.511 -3.054 1.00 0.00 O ATOM 206 CB GLN A 14 -3.244 7.570 -4.006 1.00 0.00 C ATOM 207 CG GLN A 14 -4.407 8.407 -3.470 1.00 0.00 C ATOM 208 CD GLN A 14 -3.863 9.456 -2.497 1.00 0.00 C ATOM 209 OE1 GLN A 14 -3.639 10.589 -2.869 1.00 0.00 O ATOM 210 NE2 GLN A 14 -3.634 9.120 -1.257 1.00 0.00 N ATOM 0 H GLN A 14 -5.637 6.875 -5.192 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.925 5.583 -4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.487 7.449 -3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.768 8.087 -4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.931 8.893 -4.293 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.131 7.766 -2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.822 8.168 -0.944 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.267 9.810 -0.601 1.00 0.00 H new ATOM 219 N VAL A 15 -3.579 4.667 -2.590 1.00 0.00 N ATOM 220 CA VAL A 15 -4.109 3.875 -1.441 1.00 0.00 C ATOM 221 C VAL A 15 -3.341 4.226 -0.161 1.00 0.00 C ATOM 222 O VAL A 15 -2.239 3.759 0.056 1.00 0.00 O ATOM 223 CB VAL A 15 -3.874 2.409 -1.830 1.00 0.00 C ATOM 224 CG1 VAL A 15 -4.354 1.487 -0.705 1.00 0.00 C ATOM 225 CG2 VAL A 15 -4.651 2.085 -3.108 1.00 0.00 C ATOM 0 H VAL A 15 -2.578 4.563 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.162 4.079 -1.244 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.808 2.254 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.184 0.448 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.802 1.709 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.418 1.647 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.482 1.044 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.715 2.248 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.309 2.733 -3.916 1.00 0.00 H new ATOM 235 N THR A 16 -3.918 5.040 0.685 1.00 0.00 N ATOM 236 CA THR A 16 -3.226 5.420 1.955 1.00 0.00 C ATOM 237 C THR A 16 -3.275 4.256 2.949 1.00 0.00 C ATOM 238 O THR A 16 -4.164 3.426 2.897 1.00 0.00 O ATOM 239 CB THR A 16 -3.997 6.631 2.499 1.00 0.00 C ATOM 240 OG1 THR A 16 -3.427 7.033 3.737 1.00 0.00 O ATOM 241 CG2 THR A 16 -5.472 6.270 2.712 1.00 0.00 C ATOM 0 H THR A 16 -4.839 5.459 0.552 1.00 0.00 H new ATOM 0 HA THR A 16 -2.175 5.658 1.792 1.00 0.00 H new ATOM 0 HB THR A 16 -3.933 7.446 1.778 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.916 7.807 4.086 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.007 7.138 3.098 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.913 5.965 1.763 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.546 5.450 3.427 1.00 0.00 H new ATOM 249 N ILE A 17 -2.329 4.191 3.851 1.00 0.00 N ATOM 250 CA ILE A 17 -2.317 3.081 4.852 1.00 0.00 C ATOM 251 C ILE A 17 -2.920 3.572 6.183 1.00 0.00 C ATOM 252 O ILE A 17 -2.537 4.616 6.672 1.00 0.00 O ATOM 253 CB ILE A 17 -0.838 2.719 5.029 1.00 0.00 C ATOM 254 CG1 ILE A 17 -0.252 2.260 3.689 1.00 0.00 C ATOM 255 CG2 ILE A 17 -0.703 1.584 6.048 1.00 0.00 C ATOM 256 CD1 ILE A 17 1.259 2.500 3.687 1.00 0.00 C ATOM 0 H ILE A 17 -1.563 4.859 3.938 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.906 2.222 4.530 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.298 3.597 5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.464 1.203 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.719 2.806 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.350 1.329 6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.114 1.904 7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.249 0.710 5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.678 2.174 2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.459 3.562 3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.718 1.935 4.498 1.00 0.00 H new ATOM 268 N PRO A 18 -3.846 2.813 6.740 1.00 0.00 N ATOM 269 CA PRO A 18 -4.471 3.221 8.023 1.00 0.00 C ATOM 270 C PRO A 18 -3.415 3.295 9.130 1.00 0.00 C ATOM 271 O PRO A 18 -2.226 3.260 8.868 1.00 0.00 O ATOM 272 CB PRO A 18 -5.490 2.118 8.324 1.00 0.00 C ATOM 273 CG PRO A 18 -5.648 1.347 7.050 1.00 0.00 C ATOM 274 CD PRO A 18 -4.389 1.539 6.249 1.00 0.00 C ATOM 0 HA PRO A 18 -4.934 4.206 7.966 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.141 1.473 9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.442 2.542 8.645 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.813 0.290 7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.515 1.700 6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.688 0.719 6.405 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.598 1.580 5.180 1.00 0.00 H new ATOM 282 N ALA A 19 -3.843 3.394 10.362 1.00 0.00 N ATOM 283 CA ALA A 19 -2.874 3.469 11.496 1.00 0.00 C ATOM 284 C ALA A 19 -2.500 2.060 11.967 1.00 0.00 C ATOM 285 O ALA A 19 -1.372 1.802 12.340 1.00 0.00 O ATOM 286 CB ALA A 19 -3.615 4.225 12.600 1.00 0.00 C ATOM 0 H ALA A 19 -4.826 3.426 10.632 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.946 3.966 11.214 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.968 4.322 13.472 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.891 5.216 12.240 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.515 3.676 12.876 1.00 0.00 H new ATOM 292 N LYS A 20 -3.442 1.152 11.950 1.00 0.00 N ATOM 293 CA LYS A 20 -3.149 -0.246 12.396 1.00 0.00 C ATOM 294 C LYS A 20 -2.170 -0.913 11.427 1.00 0.00 C ATOM 295 O LYS A 20 -1.239 -1.581 11.835 1.00 0.00 O ATOM 296 CB LYS A 20 -4.498 -0.967 12.377 1.00 0.00 C ATOM 297 CG LYS A 20 -5.448 -0.297 13.372 1.00 0.00 C ATOM 298 CD LYS A 20 -6.646 -1.216 13.644 1.00 0.00 C ATOM 299 CE LYS A 20 -6.490 -1.881 15.015 1.00 0.00 C ATOM 300 NZ LYS A 20 -7.348 -3.096 14.951 1.00 0.00 N ATOM 0 H LYS A 20 -4.402 1.317 11.647 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.690 -0.274 13.384 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.924 -0.937 11.374 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.365 -2.017 12.636 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.923 -0.083 14.303 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.793 0.657 12.974 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.572 -0.641 13.612 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.716 -1.977 12.867 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.450 -2.142 15.212 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.809 -1.214 15.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.362 -3.561 15.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.316 -2.824 14.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.966 -3.753 14.241 1.00 0.00 H new ATOM 314 N VAL A 21 -2.375 -0.733 10.146 1.00 0.00 N ATOM 315 CA VAL A 21 -1.454 -1.353 9.142 1.00 0.00 C ATOM 316 C VAL A 21 -0.060 -0.736 9.273 1.00 0.00 C ATOM 317 O VAL A 21 0.945 -1.411 9.152 1.00 0.00 O ATOM 318 CB VAL A 21 -2.062 -1.024 7.772 1.00 0.00 C ATOM 319 CG1 VAL A 21 -1.196 -1.634 6.666 1.00 0.00 C ATOM 320 CG2 VAL A 21 -3.483 -1.596 7.683 1.00 0.00 C ATOM 0 H VAL A 21 -3.139 -0.184 9.752 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.349 -2.429 9.284 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.101 0.058 7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.629 -1.399 5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.189 -1.222 6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.153 -2.716 6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.910 -1.360 6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.448 -2.678 7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.101 -1.157 8.466 1.00 0.00 H new ATOM 330 N ARG A 22 0.001 0.547 9.520 1.00 0.00 N ATOM 331 CA ARG A 22 1.323 1.231 9.664 1.00 0.00 C ATOM 332 C ARG A 22 2.030 0.751 10.934 1.00 0.00 C ATOM 333 O ARG A 22 3.224 0.516 10.937 1.00 0.00 O ATOM 334 CB ARG A 22 0.989 2.721 9.764 1.00 0.00 C ATOM 335 CG ARG A 22 2.182 3.555 9.293 1.00 0.00 C ATOM 336 CD ARG A 22 2.122 4.936 9.950 1.00 0.00 C ATOM 337 NE ARG A 22 0.847 5.541 9.453 1.00 0.00 N ATOM 338 CZ ARG A 22 0.200 6.457 10.147 1.00 0.00 C ATOM 339 NH1 ARG A 22 0.674 6.929 11.278 1.00 0.00 N ATOM 340 NH2 ARG A 22 -0.933 6.917 9.693 1.00 0.00 N ATOM 0 H ARG A 22 -0.811 1.154 9.629 1.00 0.00 H new ATOM 0 HA ARG A 22 1.992 1.019 8.830 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.113 2.948 9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.738 2.978 10.793 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.115 3.056 9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.166 3.654 8.208 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.125 4.857 11.037 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.983 5.544 9.672 1.00 0.00 H new ATOM 0 HE ARG A 22 0.469 5.238 8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.564 6.587 11.640 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.152 7.637 11.794 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.308 6.568 8.811 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.444 7.626 10.220 1.00 0.00 H new ATOM 354 N GLN A 23 1.299 0.602 12.012 1.00 0.00 N ATOM 355 CA GLN A 23 1.925 0.133 13.287 1.00 0.00 C ATOM 356 C GLN A 23 2.384 -1.320 13.139 1.00 0.00 C ATOM 357 O GLN A 23 3.479 -1.678 13.530 1.00 0.00 O ATOM 358 CB GLN A 23 0.822 0.239 14.343 1.00 0.00 C ATOM 359 CG GLN A 23 0.637 1.703 14.747 1.00 0.00 C ATOM 360 CD GLN A 23 -0.604 1.835 15.631 1.00 0.00 C ATOM 361 OE1 GLN A 23 -0.773 1.088 16.575 1.00 0.00 O ATOM 362 NE2 GLN A 23 -1.488 2.756 15.362 1.00 0.00 N ATOM 0 H GLN A 23 0.297 0.785 12.064 1.00 0.00 H new ATOM 0 HA GLN A 23 2.800 0.724 13.557 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -0.112 -0.161 13.949 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.082 -0.360 15.216 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.518 2.058 15.283 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.532 2.326 13.859 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.346 3.383 14.570 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.321 2.849 15.944 1.00 0.00 H new ATOM 371 N LYS A 24 1.549 -2.154 12.575 1.00 0.00 N ATOM 372 CA LYS A 24 1.920 -3.590 12.390 1.00 0.00 C ATOM 373 C LYS A 24 2.839 -3.741 11.175 1.00 0.00 C ATOM 374 O LYS A 24 4.009 -4.052 11.304 1.00 0.00 O ATOM 375 CB LYS A 24 0.589 -4.321 12.155 1.00 0.00 C ATOM 376 CG LYS A 24 0.417 -5.435 13.192 1.00 0.00 C ATOM 377 CD LYS A 24 -0.414 -4.917 14.366 1.00 0.00 C ATOM 378 CE LYS A 24 -1.088 -6.093 15.075 1.00 0.00 C ATOM 379 NZ LYS A 24 -2.346 -5.528 15.636 1.00 0.00 N ATOM 0 H LYS A 24 0.622 -1.901 12.233 1.00 0.00 H new ATOM 0 HA LYS A 24 2.457 -3.993 13.249 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.240 -3.617 12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.567 -4.741 11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.073 -6.296 12.738 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.392 -5.772 13.544 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.223 -4.375 15.065 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.167 -4.214 14.010 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.295 -6.907 14.381 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.451 -6.499 15.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.867 -6.274 16.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.116 -4.759 16.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.934 -5.156 14.863 1.00 0.00 H new ATOM 393 N PHE A 25 2.313 -3.524 9.996 1.00 0.00 N ATOM 394 CA PHE A 25 3.148 -3.654 8.762 1.00 0.00 C ATOM 395 C PHE A 25 4.154 -2.504 8.679 1.00 0.00 C ATOM 396 O PHE A 25 3.782 -1.346 8.630 1.00 0.00 O ATOM 397 CB PHE A 25 2.156 -3.581 7.596 1.00 0.00 C ATOM 398 CG PHE A 25 2.528 -4.606 6.552 1.00 0.00 C ATOM 399 CD1 PHE A 25 3.642 -4.397 5.730 1.00 0.00 C ATOM 400 CD2 PHE A 25 1.761 -5.766 6.408 1.00 0.00 C ATOM 401 CE1 PHE A 25 3.989 -5.350 4.765 1.00 0.00 C ATOM 402 CE2 PHE A 25 2.106 -6.719 5.442 1.00 0.00 C ATOM 403 CZ PHE A 25 3.220 -6.510 4.621 1.00 0.00 C ATOM 0 H PHE A 25 1.341 -3.262 9.834 1.00 0.00 H new ATOM 0 HA PHE A 25 3.721 -4.581 8.751 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.143 -3.763 7.955 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.165 -2.582 7.159 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.234 -3.500 5.840 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.902 -5.927 7.042 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.849 -5.190 4.132 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.513 -7.615 5.331 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.486 -7.245 3.876 1.00 0.00 H new ATOM 413 N GLN A 26 5.421 -2.819 8.663 1.00 0.00 N ATOM 414 CA GLN A 26 6.465 -1.751 8.581 1.00 0.00 C ATOM 415 C GLN A 26 6.623 -1.270 7.133 1.00 0.00 C ATOM 416 O GLN A 26 7.144 -1.974 6.288 1.00 0.00 O ATOM 417 CB GLN A 26 7.760 -2.403 9.085 1.00 0.00 C ATOM 418 CG GLN A 26 8.105 -3.640 8.237 1.00 0.00 C ATOM 419 CD GLN A 26 8.263 -4.865 9.144 1.00 0.00 C ATOM 420 OE1 GLN A 26 8.640 -4.740 10.292 1.00 0.00 O ATOM 421 NE2 GLN A 26 7.990 -6.051 8.672 1.00 0.00 N ATOM 0 H GLN A 26 5.781 -3.772 8.703 1.00 0.00 H new ATOM 0 HA GLN A 26 6.201 -0.876 9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.578 -1.684 9.040 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.646 -2.691 10.130 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.320 -3.819 7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.027 -3.466 7.682 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.673 -6.156 7.708 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.093 -6.873 9.267 1.00 0.00 H new ATOM 430 N ILE A 27 6.176 -0.073 6.845 1.00 0.00 N ATOM 431 CA ILE A 27 6.296 0.464 5.455 1.00 0.00 C ATOM 432 C ILE A 27 6.758 1.926 5.496 1.00 0.00 C ATOM 433 O ILE A 27 5.976 2.837 5.302 1.00 0.00 O ATOM 434 CB ILE A 27 4.888 0.359 4.854 1.00 0.00 C ATOM 435 CG1 ILE A 27 4.426 -1.105 4.873 1.00 0.00 C ATOM 436 CG2 ILE A 27 4.911 0.863 3.407 1.00 0.00 C ATOM 437 CD1 ILE A 27 2.984 -1.205 4.362 1.00 0.00 C ATOM 0 H ILE A 27 5.732 0.556 7.514 1.00 0.00 H new ATOM 0 HA ILE A 27 7.026 -0.087 4.863 1.00 0.00 H new ATOM 0 HB ILE A 27 4.200 0.965 5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.084 -1.711 4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.490 -1.502 5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.911 0.789 2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.237 1.903 3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.602 0.256 2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.664 -2.247 4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.329 -0.614 5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.933 -0.826 3.341 1.00 0.00 H new ATOM 449 N LYS A 28 8.024 2.149 5.745 1.00 0.00 N ATOM 450 CA LYS A 28 8.549 3.548 5.798 1.00 0.00 C ATOM 451 C LYS A 28 9.183 3.921 4.455 1.00 0.00 C ATOM 452 O LYS A 28 9.289 3.101 3.562 1.00 0.00 O ATOM 453 CB LYS A 28 9.606 3.537 6.911 1.00 0.00 C ATOM 454 CG LYS A 28 9.095 4.326 8.121 1.00 0.00 C ATOM 455 CD LYS A 28 10.281 4.956 8.856 1.00 0.00 C ATOM 456 CE LYS A 28 9.772 6.008 9.843 1.00 0.00 C ATOM 457 NZ LYS A 28 10.902 6.222 10.791 1.00 0.00 N ATOM 0 H LYS A 28 8.718 1.421 5.914 1.00 0.00 H new ATOM 0 HA LYS A 28 7.764 4.278 5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.829 2.511 7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.536 3.974 6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.401 5.101 7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.545 3.667 8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.843 4.187 9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.964 5.414 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.504 6.933 9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.879 5.662 10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.630 6.932 11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.130 5.326 11.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.736 6.557 10.267 1.00 0.00 H new ATOM 471 N GLU A 29 9.608 5.151 4.309 1.00 0.00 N ATOM 472 CA GLU A 29 10.242 5.583 3.023 1.00 0.00 C ATOM 473 C GLU A 29 11.506 4.760 2.760 1.00 0.00 C ATOM 474 O GLU A 29 12.393 4.686 3.590 1.00 0.00 O ATOM 475 CB GLU A 29 10.587 7.066 3.210 1.00 0.00 C ATOM 476 CG GLU A 29 11.521 7.245 4.419 1.00 0.00 C ATOM 477 CD GLU A 29 10.961 8.323 5.353 1.00 0.00 C ATOM 478 OE1 GLU A 29 9.778 8.269 5.646 1.00 0.00 O ATOM 479 OE2 GLU A 29 11.726 9.182 5.761 1.00 0.00 O ATOM 0 H GLU A 29 9.544 5.876 5.024 1.00 0.00 H new ATOM 0 HA GLU A 29 9.580 5.435 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.067 7.452 2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.674 7.644 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.620 6.302 4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.518 7.526 4.081 1.00 0.00 H new ATOM 486 N GLY A 30 11.587 4.139 1.612 1.00 0.00 N ATOM 487 CA GLY A 30 12.786 3.313 1.283 1.00 0.00 C ATOM 488 C GLY A 30 12.459 1.825 1.458 1.00 0.00 C ATOM 489 O GLY A 30 13.347 1.004 1.598 1.00 0.00 O ATOM 0 H GLY A 30 10.871 4.169 0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.102 3.507 0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.618 3.590 1.930 1.00 0.00 H new ATOM 493 N ASP A 31 11.196 1.467 1.442 1.00 0.00 N ATOM 494 CA ASP A 31 10.819 0.032 1.599 1.00 0.00 C ATOM 495 C ASP A 31 10.234 -0.492 0.286 1.00 0.00 C ATOM 496 O ASP A 31 9.193 -0.045 -0.159 1.00 0.00 O ATOM 497 CB ASP A 31 9.765 0.008 2.707 1.00 0.00 C ATOM 498 CG ASP A 31 10.458 -0.075 4.070 1.00 0.00 C ATOM 499 OD1 ASP A 31 11.094 -1.084 4.328 1.00 0.00 O ATOM 500 OD2 ASP A 31 10.341 0.871 4.831 1.00 0.00 O ATOM 0 H ASP A 31 10.412 2.110 1.327 1.00 0.00 H new ATOM 0 HA ASP A 31 11.673 -0.598 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.147 0.905 2.655 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.100 -0.845 2.573 1.00 0.00 H new ATOM 505 N LEU A 32 10.904 -1.422 -0.339 1.00 0.00 N ATOM 506 CA LEU A 32 10.401 -1.972 -1.636 1.00 0.00 C ATOM 507 C LEU A 32 9.167 -2.851 -1.410 1.00 0.00 C ATOM 508 O LEU A 32 9.280 -4.025 -1.111 1.00 0.00 O ATOM 509 CB LEU A 32 11.555 -2.808 -2.193 1.00 0.00 C ATOM 510 CG LEU A 32 12.339 -1.984 -3.217 1.00 0.00 C ATOM 511 CD1 LEU A 32 13.820 -2.365 -3.151 1.00 0.00 C ATOM 512 CD2 LEU A 32 11.801 -2.271 -4.621 1.00 0.00 C ATOM 0 H LEU A 32 11.780 -1.827 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 32 10.101 -1.179 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.214 -3.122 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.169 -3.714 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 32 12.226 -0.923 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.379 -1.779 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.204 -2.162 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.933 -3.426 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.359 -1.685 -5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.915 -3.332 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.746 -2.001 -4.669 1.00 0.00 H new ATOM 524 N VAL A 33 7.994 -2.292 -1.567 1.00 0.00 N ATOM 525 CA VAL A 33 6.747 -3.094 -1.381 1.00 0.00 C ATOM 526 C VAL A 33 6.284 -3.636 -2.736 1.00 0.00 C ATOM 527 O VAL A 33 6.233 -2.914 -3.715 1.00 0.00 O ATOM 528 CB VAL A 33 5.715 -2.117 -0.807 1.00 0.00 C ATOM 529 CG1 VAL A 33 4.386 -2.844 -0.579 1.00 0.00 C ATOM 530 CG2 VAL A 33 6.221 -1.564 0.527 1.00 0.00 C ATOM 0 H VAL A 33 7.846 -1.314 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 33 6.894 -3.948 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 33 5.566 -1.299 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.655 -2.146 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.020 -3.240 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.536 -3.664 0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.487 -0.869 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.372 -2.385 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.165 -1.043 0.370 1.00 0.00 H new ATOM 540 N LYS A 34 5.950 -4.898 -2.800 1.00 0.00 N ATOM 541 CA LYS A 34 5.495 -5.489 -4.094 1.00 0.00 C ATOM 542 C LYS A 34 3.968 -5.568 -4.135 1.00 0.00 C ATOM 543 O LYS A 34 3.301 -5.420 -3.129 1.00 0.00 O ATOM 544 CB LYS A 34 6.115 -6.887 -4.134 1.00 0.00 C ATOM 545 CG LYS A 34 7.630 -6.779 -4.370 1.00 0.00 C ATOM 546 CD LYS A 34 8.387 -7.191 -3.099 1.00 0.00 C ATOM 547 CE LYS A 34 9.551 -6.226 -2.852 1.00 0.00 C ATOM 548 NZ LYS A 34 10.638 -6.692 -3.757 1.00 0.00 N ATOM 0 H LYS A 34 5.972 -5.546 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 34 5.799 -4.888 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.920 -7.408 -3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.655 -7.476 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.924 -7.419 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.892 -5.757 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.711 -7.186 -2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.762 -8.209 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.265 -5.198 -3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.868 -6.249 -1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.470 -6.079 -3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.894 -7.671 -3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.310 -6.652 -4.743 1.00 0.00 H new ATOM 562 N VAL A 35 3.415 -5.792 -5.298 1.00 0.00 N ATOM 563 CA VAL A 35 1.930 -5.878 -5.432 1.00 0.00 C ATOM 564 C VAL A 35 1.564 -6.849 -6.560 1.00 0.00 C ATOM 565 O VAL A 35 2.162 -6.828 -7.619 1.00 0.00 O ATOM 566 CB VAL A 35 1.477 -4.447 -5.761 1.00 0.00 C ATOM 567 CG1 VAL A 35 2.146 -3.966 -7.056 1.00 0.00 C ATOM 568 CG2 VAL A 35 -0.046 -4.413 -5.935 1.00 0.00 C ATOM 0 H VAL A 35 3.932 -5.920 -6.168 1.00 0.00 H new ATOM 0 HA VAL A 35 1.446 -6.251 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 35 1.767 -3.790 -4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.818 -2.951 -7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.229 -3.978 -6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.867 -4.627 -7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.363 -3.397 -6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.334 -5.079 -6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.525 -4.740 -5.012 1.00 0.00 H new ATOM 578 N THR A 36 0.593 -7.702 -6.338 1.00 0.00 N ATOM 579 CA THR A 36 0.199 -8.678 -7.398 1.00 0.00 C ATOM 580 C THR A 36 -1.319 -8.874 -7.423 1.00 0.00 C ATOM 581 O THR A 36 -1.978 -8.837 -6.402 1.00 0.00 O ATOM 582 CB THR A 36 0.894 -9.986 -7.015 1.00 0.00 C ATOM 583 OG1 THR A 36 0.464 -10.388 -5.722 1.00 0.00 O ATOM 584 CG2 THR A 36 2.410 -9.783 -7.010 1.00 0.00 C ATOM 0 H THR A 36 0.059 -7.763 -5.471 1.00 0.00 H new ATOM 0 HA THR A 36 0.487 -8.331 -8.391 1.00 0.00 H new ATOM 0 HB THR A 36 0.638 -10.758 -7.741 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.907 -11.227 -5.476 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.901 -10.717 -6.737 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.739 -9.477 -8.003 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.671 -9.010 -6.287 1.00 0.00 H new ATOM 592 N PHE A 37 -1.869 -9.099 -8.590 1.00 0.00 N ATOM 593 CA PHE A 37 -3.342 -9.318 -8.706 1.00 0.00 C ATOM 594 C PHE A 37 -3.624 -10.811 -8.907 1.00 0.00 C ATOM 595 O PHE A 37 -2.904 -11.494 -9.612 1.00 0.00 O ATOM 596 CB PHE A 37 -3.768 -8.509 -9.939 1.00 0.00 C ATOM 597 CG PHE A 37 -5.259 -8.649 -10.173 1.00 0.00 C ATOM 598 CD1 PHE A 37 -6.162 -8.502 -9.109 1.00 0.00 C ATOM 599 CD2 PHE A 37 -5.738 -8.921 -11.460 1.00 0.00 C ATOM 600 CE1 PHE A 37 -7.538 -8.627 -9.334 1.00 0.00 C ATOM 601 CE2 PHE A 37 -7.115 -9.046 -11.684 1.00 0.00 C ATOM 602 CZ PHE A 37 -8.015 -8.900 -10.621 1.00 0.00 C ATOM 0 H PHE A 37 -1.358 -9.140 -9.472 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.887 -9.006 -7.815 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.512 -7.459 -9.799 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.222 -8.856 -10.816 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.795 -8.292 -8.115 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.045 -9.035 -12.281 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.232 -8.513 -8.514 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.483 -9.255 -12.678 1.00 0.00 H new ATOM 0 HZ PHE A 37 -9.076 -8.998 -10.794 1.00 0.00 H new ATOM 612 N ASP A 38 -4.655 -11.321 -8.284 1.00 0.00 N ATOM 613 CA ASP A 38 -4.979 -12.772 -8.426 1.00 0.00 C ATOM 614 C ASP A 38 -6.147 -12.972 -9.396 1.00 0.00 C ATOM 615 O ASP A 38 -6.764 -12.023 -9.843 1.00 0.00 O ATOM 616 CB ASP A 38 -5.368 -13.229 -7.021 1.00 0.00 C ATOM 617 CG ASP A 38 -4.104 -13.496 -6.201 1.00 0.00 C ATOM 618 OD1 ASP A 38 -3.558 -14.580 -6.327 1.00 0.00 O ATOM 619 OD2 ASP A 38 -3.704 -12.613 -5.460 1.00 0.00 O ATOM 0 H ASP A 38 -5.288 -10.794 -7.682 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.139 -13.340 -8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.975 -12.466 -6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.976 -14.132 -7.076 1.00 0.00 H new ATOM 624 N GLU A 39 -6.452 -14.204 -9.718 1.00 0.00 N ATOM 625 CA GLU A 39 -7.581 -14.485 -10.654 1.00 0.00 C ATOM 626 C GLU A 39 -8.605 -15.402 -9.981 1.00 0.00 C ATOM 627 O GLU A 39 -9.224 -16.230 -10.621 1.00 0.00 O ATOM 628 CB GLU A 39 -6.937 -15.191 -11.850 1.00 0.00 C ATOM 629 CG GLU A 39 -6.571 -14.161 -12.921 1.00 0.00 C ATOM 630 CD GLU A 39 -5.509 -14.748 -13.852 1.00 0.00 C ATOM 631 OE1 GLU A 39 -5.610 -15.922 -14.169 1.00 0.00 O ATOM 632 OE2 GLU A 39 -4.612 -14.014 -14.233 1.00 0.00 O ATOM 0 H GLU A 39 -5.965 -15.030 -9.371 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.109 -13.579 -10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.045 -15.729 -11.530 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.625 -15.930 -12.262 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.457 -13.884 -13.492 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.196 -13.251 -12.452 1.00 0.00 H new ATOM 639 N SER A 40 -8.784 -15.260 -8.691 1.00 0.00 N ATOM 640 CA SER A 40 -9.763 -16.122 -7.965 1.00 0.00 C ATOM 641 C SER A 40 -10.824 -15.260 -7.272 1.00 0.00 C ATOM 642 O SER A 40 -11.996 -15.332 -7.590 1.00 0.00 O ATOM 643 CB SER A 40 -8.932 -16.880 -6.930 1.00 0.00 C ATOM 644 OG SER A 40 -9.795 -17.664 -6.118 1.00 0.00 O ATOM 0 H SER A 40 -8.292 -14.582 -8.109 1.00 0.00 H new ATOM 0 HA SER A 40 -10.294 -16.796 -8.638 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.203 -17.519 -7.429 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.371 -16.178 -6.313 1.00 0.00 H new ATOM 0 HG SER A 40 -9.265 -18.153 -5.454 1.00 0.00 H new ATOM 650 N GLU A 41 -10.419 -14.450 -6.326 1.00 0.00 N ATOM 651 CA GLU A 41 -11.399 -13.583 -5.605 1.00 0.00 C ATOM 652 C GLU A 41 -11.399 -12.168 -6.191 1.00 0.00 C ATOM 653 O GLU A 41 -12.427 -11.520 -6.268 1.00 0.00 O ATOM 654 CB GLU A 41 -10.914 -13.561 -4.155 1.00 0.00 C ATOM 655 CG GLU A 41 -11.598 -14.682 -3.370 1.00 0.00 C ATOM 656 CD GLU A 41 -13.072 -14.330 -3.154 1.00 0.00 C ATOM 657 OE1 GLU A 41 -13.363 -13.158 -2.981 1.00 0.00 O ATOM 658 OE2 GLU A 41 -13.885 -15.239 -3.167 1.00 0.00 O ATOM 0 H GLU A 41 -9.450 -14.352 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.419 -13.958 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.832 -13.687 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.137 -12.596 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.514 -15.624 -3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.102 -14.822 -2.409 1.00 0.00 H new ATOM 665 N GLY A 42 -10.254 -11.685 -6.601 1.00 0.00 N ATOM 666 CA GLY A 42 -10.178 -10.311 -7.181 1.00 0.00 C ATOM 667 C GLY A 42 -9.647 -9.342 -6.122 1.00 0.00 C ATOM 668 O GLY A 42 -10.286 -8.361 -5.788 1.00 0.00 O ATOM 0 H GLY A 42 -9.366 -12.185 -6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.524 -10.308 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.164 -9.992 -7.520 1.00 0.00 H new ATOM 672 N VAL A 43 -8.484 -9.617 -5.590 1.00 0.00 N ATOM 673 CA VAL A 43 -7.899 -8.724 -4.545 1.00 0.00 C ATOM 674 C VAL A 43 -6.426 -8.434 -4.865 1.00 0.00 C ATOM 675 O VAL A 43 -5.830 -9.089 -5.700 1.00 0.00 O ATOM 676 CB VAL A 43 -8.029 -9.518 -3.236 1.00 0.00 C ATOM 677 CG1 VAL A 43 -9.509 -9.798 -2.950 1.00 0.00 C ATOM 678 CG2 VAL A 43 -7.269 -10.851 -3.349 1.00 0.00 C ATOM 0 H VAL A 43 -7.912 -10.425 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.403 -7.759 -4.487 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.603 -8.932 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.600 -10.361 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.046 -8.854 -2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.935 -10.378 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.367 -11.406 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.685 -11.439 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.215 -10.653 -3.544 1.00 0.00 H new ATOM 688 N VAL A 44 -5.833 -7.466 -4.205 1.00 0.00 N ATOM 689 CA VAL A 44 -4.395 -7.150 -4.477 1.00 0.00 C ATOM 690 C VAL A 44 -3.571 -7.335 -3.198 1.00 0.00 C ATOM 691 O VAL A 44 -3.776 -6.652 -2.213 1.00 0.00 O ATOM 692 CB VAL A 44 -4.369 -5.686 -4.934 1.00 0.00 C ATOM 693 CG1 VAL A 44 -2.938 -5.296 -5.310 1.00 0.00 C ATOM 694 CG2 VAL A 44 -5.278 -5.506 -6.154 1.00 0.00 C ATOM 0 H VAL A 44 -6.279 -6.886 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.967 -7.807 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.724 -5.051 -4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.918 -4.256 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.288 -5.418 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.587 -5.936 -6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.255 -4.464 -6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.927 -6.143 -6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.299 -5.783 -5.891 1.00 0.00 H new ATOM 704 N LYS A 45 -2.648 -8.262 -3.210 1.00 0.00 N ATOM 705 CA LYS A 45 -1.807 -8.513 -1.999 1.00 0.00 C ATOM 706 C LYS A 45 -0.451 -7.816 -2.136 1.00 0.00 C ATOM 707 O LYS A 45 0.146 -7.803 -3.197 1.00 0.00 O ATOM 708 CB LYS A 45 -1.629 -10.032 -1.961 1.00 0.00 C ATOM 709 CG LYS A 45 -0.893 -10.435 -0.679 1.00 0.00 C ATOM 710 CD LYS A 45 0.113 -11.546 -0.992 1.00 0.00 C ATOM 711 CE LYS A 45 1.288 -10.964 -1.780 1.00 0.00 C ATOM 712 NZ LYS A 45 1.710 -12.057 -2.701 1.00 0.00 N ATOM 0 H LYS A 45 -2.439 -8.859 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.265 -8.128 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.601 -10.523 -2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.067 -10.364 -2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.378 -9.572 -0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.607 -10.778 0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.470 -11.999 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.369 -12.336 -1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.990 -10.074 -2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.102 -10.670 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.514 -11.735 -3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.994 -12.889 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.917 -12.311 -3.324 1.00 0.00 H new ATOM 726 N ILE A 46 0.039 -7.239 -1.066 1.00 0.00 N ATOM 727 CA ILE A 46 1.361 -6.539 -1.120 1.00 0.00 C ATOM 728 C ILE A 46 2.246 -6.976 0.051 1.00 0.00 C ATOM 729 O ILE A 46 1.762 -7.434 1.070 1.00 0.00 O ATOM 730 CB ILE A 46 1.042 -5.041 -1.013 1.00 0.00 C ATOM 731 CG1 ILE A 46 0.204 -4.767 0.248 1.00 0.00 C ATOM 732 CG2 ILE A 46 0.264 -4.590 -2.252 1.00 0.00 C ATOM 733 CD1 ILE A 46 0.775 -3.562 1.000 1.00 0.00 C ATOM 0 H ILE A 46 -0.420 -7.222 -0.155 1.00 0.00 H new ATOM 0 HA ILE A 46 1.902 -6.774 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 46 1.977 -4.484 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.833 -4.577 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.206 -5.645 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.039 -3.526 -2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.865 -4.769 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.666 -5.153 -2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.177 -3.373 1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.805 -3.769 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.750 -2.685 0.354 1.00 0.00 H new ATOM 745 N GLN A 47 3.542 -6.836 -0.088 1.00 0.00 N ATOM 746 CA GLN A 47 4.469 -7.240 1.013 1.00 0.00 C ATOM 747 C GLN A 47 5.839 -6.576 0.831 1.00 0.00 C ATOM 748 O GLN A 47 6.129 -6.010 -0.207 1.00 0.00 O ATOM 749 CB GLN A 47 4.585 -8.765 0.896 1.00 0.00 C ATOM 750 CG GLN A 47 5.152 -9.146 -0.478 1.00 0.00 C ATOM 751 CD GLN A 47 4.804 -10.602 -0.789 1.00 0.00 C ATOM 752 OE1 GLN A 47 4.629 -11.402 0.108 1.00 0.00 O ATOM 753 NE2 GLN A 47 4.694 -10.983 -2.033 1.00 0.00 N ATOM 0 H GLN A 47 3.998 -6.458 -0.919 1.00 0.00 H new ATOM 0 HA GLN A 47 4.102 -6.934 1.993 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.232 -9.150 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.606 -9.224 1.034 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.742 -8.491 -1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.233 -9.010 -0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.841 -10.312 -2.787 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.461 -11.952 -2.251 1.00 0.00 H new ATOM 762 N LEU A 48 6.683 -6.650 1.830 1.00 0.00 N ATOM 763 CA LEU A 48 8.040 -6.033 1.718 1.00 0.00 C ATOM 764 C LEU A 48 8.962 -6.961 0.915 1.00 0.00 C ATOM 765 O LEU A 48 8.504 -7.714 0.079 1.00 0.00 O ATOM 766 CB LEU A 48 8.530 -5.873 3.165 1.00 0.00 C ATOM 767 CG LEU A 48 8.962 -4.423 3.402 1.00 0.00 C ATOM 768 CD1 LEU A 48 7.723 -3.527 3.455 1.00 0.00 C ATOM 769 CD2 LEU A 48 9.719 -4.321 4.729 1.00 0.00 C ATOM 0 H LEU A 48 6.490 -7.112 2.719 1.00 0.00 H new ATOM 0 HA LEU A 48 8.028 -5.074 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.736 -6.145 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.365 -6.548 3.354 1.00 0.00 H new ATOM 0 HG LEU A 48 9.613 -4.102 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.028 -2.494 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.183 -3.596 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.074 -3.851 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.025 -3.288 4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.070 -4.642 5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.602 -4.960 4.694 1.00 0.00 H new ATOM 781 N LEU A 49 10.252 -6.910 1.157 1.00 0.00 N ATOM 782 CA LEU A 49 11.201 -7.791 0.397 1.00 0.00 C ATOM 783 C LEU A 49 10.813 -9.268 0.548 1.00 0.00 C ATOM 784 O LEU A 49 11.254 -9.946 1.457 1.00 0.00 O ATOM 785 CB LEU A 49 12.577 -7.537 1.019 1.00 0.00 C ATOM 786 CG LEU A 49 13.655 -7.669 -0.059 1.00 0.00 C ATOM 787 CD1 LEU A 49 13.646 -6.424 -0.949 1.00 0.00 C ATOM 788 CD2 LEU A 49 15.027 -7.807 0.607 1.00 0.00 C ATOM 0 H LEU A 49 10.689 -6.298 1.846 1.00 0.00 H new ATOM 0 HA LEU A 49 11.187 -7.569 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.610 -6.541 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.762 -8.250 1.823 1.00 0.00 H new ATOM 0 HG LEU A 49 13.453 -8.551 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.414 -6.520 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.670 -6.323 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.847 -5.541 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 49 15.796 -7.901 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 49 15.227 -6.925 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.036 -8.694 1.241 1.00 0.00 H new ATOM 800 N LYS A 50 9.994 -9.765 -0.343 1.00 0.00 N ATOM 801 CA LYS A 50 9.567 -11.195 -0.275 1.00 0.00 C ATOM 802 C LYS A 50 8.814 -11.566 -1.556 1.00 0.00 C ATOM 803 O LYS A 50 7.988 -10.812 -2.037 1.00 0.00 O ATOM 804 CB LYS A 50 8.637 -11.286 0.944 1.00 0.00 C ATOM 805 CG LYS A 50 9.217 -12.270 1.969 1.00 0.00 C ATOM 806 CD LYS A 50 8.084 -13.084 2.612 1.00 0.00 C ATOM 807 CE LYS A 50 8.205 -13.029 4.138 1.00 0.00 C ATOM 808 NZ LYS A 50 9.163 -14.115 4.485 1.00 0.00 N ATOM 0 H LYS A 50 9.600 -9.237 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 50 10.412 -11.878 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.520 -10.302 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.645 -11.614 0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.926 -12.939 1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.767 -11.726 2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.118 -12.688 2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.129 -14.119 2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.571 -12.058 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.239 -13.186 4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.299 -14.142 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.785 -15.028 4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.076 -13.935 4.020 1.00 0.00 H new ATOM 822 N GLU A 51 9.094 -12.718 -2.113 1.00 0.00 N ATOM 823 CA GLU A 51 8.395 -13.134 -3.365 1.00 0.00 C ATOM 824 C GLU A 51 7.714 -14.502 -3.177 1.00 0.00 C ATOM 825 O GLU A 51 7.922 -15.401 -3.968 1.00 0.00 O ATOM 826 CB GLU A 51 9.501 -13.220 -4.419 1.00 0.00 C ATOM 827 CG GLU A 51 8.981 -12.679 -5.753 1.00 0.00 C ATOM 828 CD GLU A 51 8.940 -11.150 -5.706 1.00 0.00 C ATOM 829 OE1 GLU A 51 8.691 -10.614 -4.638 1.00 0.00 O ATOM 830 OE2 GLU A 51 9.158 -10.540 -6.740 1.00 0.00 O ATOM 0 H GLU A 51 9.776 -13.387 -1.754 1.00 0.00 H new ATOM 0 HA GLU A 51 7.609 -12.435 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.370 -12.647 -4.096 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.826 -14.254 -4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.625 -13.011 -6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.985 -13.074 -5.954 1.00 0.00 H new ATOM 837 N PRO A 52 6.913 -14.624 -2.138 1.00 0.00 N ATOM 838 CA PRO A 52 6.210 -15.907 -1.885 1.00 0.00 C ATOM 839 C PRO A 52 5.145 -16.140 -2.960 1.00 0.00 C ATOM 840 O PRO A 52 4.113 -15.496 -2.970 1.00 0.00 O ATOM 841 CB PRO A 52 5.564 -15.714 -0.514 1.00 0.00 C ATOM 842 CG PRO A 52 5.478 -14.234 -0.317 1.00 0.00 C ATOM 843 CD PRO A 52 6.588 -13.609 -1.121 1.00 0.00 C ATOM 0 HA PRO A 52 6.874 -16.771 -1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.576 -16.173 -0.478 1.00 0.00 H new ATOM 0 HB3 PRO A 52 6.161 -16.180 0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.508 -13.859 -0.644 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.578 -13.980 0.738 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.269 -12.673 -1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.452 -13.380 -0.497 1.00 0.00 H new ATOM 851 N TRP A 53 5.392 -17.050 -3.870 1.00 0.00 N ATOM 852 CA TRP A 53 4.398 -17.319 -4.954 1.00 0.00 C ATOM 853 C TRP A 53 4.210 -18.829 -5.150 1.00 0.00 C ATOM 854 O TRP A 53 3.136 -19.357 -4.939 1.00 0.00 O ATOM 855 CB TRP A 53 5.003 -16.677 -6.212 1.00 0.00 C ATOM 856 CG TRP A 53 3.987 -15.796 -6.871 1.00 0.00 C ATOM 857 CD1 TRP A 53 3.963 -14.445 -6.801 1.00 0.00 C ATOM 858 CD2 TRP A 53 2.851 -16.184 -7.694 1.00 0.00 C ATOM 859 NE1 TRP A 53 2.884 -13.979 -7.530 1.00 0.00 N ATOM 860 CE2 TRP A 53 2.169 -15.014 -8.101 1.00 0.00 C ATOM 861 CE3 TRP A 53 2.355 -17.425 -8.124 1.00 0.00 C ATOM 862 CZ2 TRP A 53 1.030 -15.073 -8.906 1.00 0.00 C ATOM 863 CZ3 TRP A 53 1.209 -17.490 -8.934 1.00 0.00 C ATOM 864 CH2 TRP A 53 0.549 -16.317 -9.324 1.00 0.00 C ATOM 0 H TRP A 53 6.239 -17.618 -3.909 1.00 0.00 H new ATOM 0 HA TRP A 53 3.414 -16.913 -4.721 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.885 -16.094 -5.946 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.330 -17.452 -6.905 1.00 0.00 H new ATOM 0 HD1 TRP A 53 4.671 -13.831 -6.264 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.646 -12.993 -7.633 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.857 -18.335 -7.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.525 -14.166 -9.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.834 -18.450 -9.258 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.331 -16.374 -9.947 1.00 0.00 H new ATOM 875 N LYS A 54 5.244 -19.522 -5.557 1.00 0.00 N ATOM 876 CA LYS A 54 5.124 -20.996 -5.773 1.00 0.00 C ATOM 877 C LYS A 54 5.264 -21.741 -4.441 1.00 0.00 C ATOM 878 O LYS A 54 5.430 -22.949 -4.474 1.00 0.00 O ATOM 879 CB LYS A 54 6.276 -21.357 -6.715 1.00 0.00 C ATOM 880 CG LYS A 54 5.784 -22.346 -7.777 1.00 0.00 C ATOM 881 CD LYS A 54 5.092 -21.583 -8.915 1.00 0.00 C ATOM 882 CE LYS A 54 5.541 -22.145 -10.271 1.00 0.00 C ATOM 883 NZ LYS A 54 4.363 -22.893 -10.793 1.00 0.00 N ATOM 884 OXT LYS A 54 5.201 -21.089 -3.412 1.00 0.00 O ATOM 0 H LYS A 54 6.166 -19.130 -5.749 1.00 0.00 H new ATOM 0 HA LYS A 54 4.156 -21.273 -6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.663 -20.457 -7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.098 -21.795 -6.149 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.623 -22.920 -8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.091 -23.059 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.010 -21.669 -8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.335 -20.522 -8.853 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.833 -21.345 -10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.405 -22.800 -10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.596 -23.306 -11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.112 -23.653 -10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.557 -22.243 -10.896 1.00 0.00 H new TER 898 LYS A 54 ATOM 899 N ALA B 2 -3.364 -12.766 -12.346 1.00 0.00 N ATOM 900 CA ALA B 2 -1.994 -13.243 -11.999 1.00 0.00 C ATOM 901 C ALA B 2 -0.950 -12.219 -12.456 1.00 0.00 C ATOM 902 O ALA B 2 -0.077 -12.519 -13.250 1.00 0.00 O ATOM 903 CB ALA B 2 -1.832 -14.560 -12.760 1.00 0.00 C ATOM 0 HA ALA B 2 -1.857 -13.376 -10.926 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -0.846 -14.978 -12.558 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -2.598 -15.264 -12.436 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -1.936 -14.377 -13.830 1.00 0.00 H new ATOM 911 N VAL B 3 -1.038 -11.013 -11.959 1.00 0.00 N ATOM 912 CA VAL B 3 -0.058 -9.958 -12.360 1.00 0.00 C ATOM 913 C VAL B 3 1.019 -9.800 -11.282 1.00 0.00 C ATOM 914 O VAL B 3 0.759 -9.966 -10.105 1.00 0.00 O ATOM 915 CB VAL B 3 -0.885 -8.673 -12.495 1.00 0.00 C ATOM 916 CG1 VAL B 3 0.020 -7.512 -12.928 1.00 0.00 C ATOM 917 CG2 VAL B 3 -1.984 -8.876 -13.545 1.00 0.00 C ATOM 0 H VAL B 3 -1.748 -10.712 -11.291 1.00 0.00 H new ATOM 0 HA VAL B 3 0.458 -10.205 -13.288 1.00 0.00 H new ATOM 0 HB VAL B 3 -1.337 -8.439 -11.531 1.00 0.00 H new ATOM 0 HG11 VAL B 3 -0.574 -6.603 -13.022 1.00 0.00 H new ATOM 0 HG12 VAL B 3 0.800 -7.360 -12.182 1.00 0.00 H new ATOM 0 HG13 VAL B 3 0.478 -7.747 -13.889 1.00 0.00 H new ATOM 0 HG21 VAL B 3 -2.570 -7.962 -13.639 1.00 0.00 H new ATOM 0 HG22 VAL B 3 -1.529 -9.116 -14.506 1.00 0.00 H new ATOM 0 HG23 VAL B 3 -2.635 -9.694 -13.237 1.00 0.00 H new ATOM 927 N GLU B 4 2.222 -9.477 -11.681 1.00 0.00 N ATOM 928 CA GLU B 4 3.327 -9.298 -10.694 1.00 0.00 C ATOM 929 C GLU B 4 3.968 -7.919 -10.879 1.00 0.00 C ATOM 930 O GLU B 4 4.222 -7.493 -11.991 1.00 0.00 O ATOM 931 CB GLU B 4 4.330 -10.406 -11.020 1.00 0.00 C ATOM 932 CG GLU B 4 4.096 -11.599 -10.093 1.00 0.00 C ATOM 933 CD GLU B 4 5.195 -12.641 -10.315 1.00 0.00 C ATOM 934 OE1 GLU B 4 5.615 -12.796 -11.450 1.00 0.00 O ATOM 935 OE2 GLU B 4 5.598 -13.263 -9.347 1.00 0.00 O ATOM 0 H GLU B 4 2.487 -9.329 -12.655 1.00 0.00 H new ATOM 0 HA GLU B 4 2.981 -9.356 -9.662 1.00 0.00 H new ATOM 0 HB2 GLU B 4 4.222 -10.714 -12.060 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.348 -10.035 -10.902 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.096 -11.271 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.118 -12.039 -10.289 1.00 0.00 H new ATOM 942 N GLU B 5 4.226 -7.214 -9.804 1.00 0.00 N ATOM 943 CA GLU B 5 4.843 -5.858 -9.927 1.00 0.00 C ATOM 944 C GLU B 5 5.609 -5.492 -8.649 1.00 0.00 C ATOM 945 O GLU B 5 5.435 -6.101 -7.611 1.00 0.00 O ATOM 946 CB GLU B 5 3.661 -4.902 -10.137 1.00 0.00 C ATOM 947 CG GLU B 5 3.653 -4.399 -11.584 1.00 0.00 C ATOM 948 CD GLU B 5 4.692 -3.289 -11.743 1.00 0.00 C ATOM 949 OE1 GLU B 5 4.414 -2.179 -11.320 1.00 0.00 O ATOM 950 OE2 GLU B 5 5.748 -3.567 -12.285 1.00 0.00 O ATOM 0 H GLU B 5 4.036 -7.519 -8.849 1.00 0.00 H new ATOM 0 HA GLU B 5 5.562 -5.810 -10.745 1.00 0.00 H new ATOM 0 HB2 GLU B 5 2.724 -5.413 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU B 5 3.736 -4.059 -9.450 1.00 0.00 H new ATOM 0 HG2 GLU B 5 3.874 -5.219 -12.267 1.00 0.00 H new ATOM 0 HG3 GLU B 5 2.663 -4.025 -11.845 1.00 0.00 H new ATOM 957 N ILE B 6 6.447 -4.489 -8.727 1.00 0.00 N ATOM 958 CA ILE B 6 7.232 -4.056 -7.531 1.00 0.00 C ATOM 959 C ILE B 6 7.142 -2.532 -7.384 1.00 0.00 C ATOM 960 O ILE B 6 7.302 -1.801 -8.344 1.00 0.00 O ATOM 961 CB ILE B 6 8.674 -4.495 -7.819 1.00 0.00 C ATOM 962 CG1 ILE B 6 8.720 -6.018 -7.985 1.00 0.00 C ATOM 963 CG2 ILE B 6 9.585 -4.082 -6.657 1.00 0.00 C ATOM 964 CD1 ILE B 6 10.122 -6.445 -8.428 1.00 0.00 C ATOM 0 H ILE B 6 6.622 -3.948 -9.574 1.00 0.00 H new ATOM 0 HA ILE B 6 6.862 -4.491 -6.603 1.00 0.00 H new ATOM 0 HB ILE B 6 9.019 -4.016 -8.735 1.00 0.00 H new ATOM 0 HG12 ILE B 6 8.461 -6.504 -7.044 1.00 0.00 H new ATOM 0 HG13 ILE B 6 7.982 -6.336 -8.722 1.00 0.00 H new ATOM 0 HG21 ILE B 6 10.607 -4.396 -6.867 1.00 0.00 H new ATOM 0 HG22 ILE B 6 9.555 -2.999 -6.539 1.00 0.00 H new ATOM 0 HG23 ILE B 6 9.241 -4.557 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE B 6 10.152 -7.528 -8.545 1.00 0.00 H new ATOM 0 HD12 ILE B 6 10.364 -5.970 -9.379 1.00 0.00 H new ATOM 0 HD13 ILE B 6 10.850 -6.141 -7.676 1.00 0.00 H new ATOM 976 N VAL B 7 6.875 -2.047 -6.194 1.00 0.00 N ATOM 977 CA VAL B 7 6.763 -0.568 -5.995 1.00 0.00 C ATOM 978 C VAL B 7 7.633 -0.110 -4.819 1.00 0.00 C ATOM 979 O VAL B 7 7.988 -0.888 -3.954 1.00 0.00 O ATOM 980 CB VAL B 7 5.279 -0.311 -5.698 1.00 0.00 C ATOM 981 CG1 VAL B 7 5.045 1.191 -5.512 1.00 0.00 C ATOM 982 CG2 VAL B 7 4.424 -0.813 -6.867 1.00 0.00 C ATOM 0 H VAL B 7 6.730 -2.610 -5.356 1.00 0.00 H new ATOM 0 HA VAL B 7 7.106 -0.016 -6.870 1.00 0.00 H new ATOM 0 HB VAL B 7 5.000 -0.841 -4.787 1.00 0.00 H new ATOM 0 HG11 VAL B 7 3.991 1.372 -5.301 1.00 0.00 H new ATOM 0 HG12 VAL B 7 5.649 1.553 -4.680 1.00 0.00 H new ATOM 0 HG13 VAL B 7 5.329 1.719 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL B 7 3.371 -0.629 -6.653 1.00 0.00 H new ATOM 0 HG22 VAL B 7 4.707 -0.285 -7.778 1.00 0.00 H new ATOM 0 HG23 VAL B 7 4.585 -1.882 -7.003 1.00 0.00 H new ATOM 992 N LYS B 8 7.964 1.157 -4.784 1.00 0.00 N ATOM 993 CA LYS B 8 8.801 1.696 -3.671 1.00 0.00 C ATOM 994 C LYS B 8 7.972 2.665 -2.821 1.00 0.00 C ATOM 995 O LYS B 8 6.979 3.202 -3.275 1.00 0.00 O ATOM 996 CB LYS B 8 9.951 2.432 -4.363 1.00 0.00 C ATOM 997 CG LYS B 8 10.973 2.887 -3.318 1.00 0.00 C ATOM 998 CD LYS B 8 12.163 3.546 -4.020 1.00 0.00 C ATOM 999 CE LYS B 8 13.170 4.031 -2.975 1.00 0.00 C ATOM 1000 NZ LYS B 8 12.726 5.408 -2.622 1.00 0.00 N ATOM 0 H LYS B 8 7.688 1.845 -5.485 1.00 0.00 H new ATOM 0 HA LYS B 8 9.165 0.915 -3.003 1.00 0.00 H new ATOM 0 HB2 LYS B 8 10.428 1.777 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.568 3.293 -4.910 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.511 3.590 -2.625 1.00 0.00 H new ATOM 0 HG3 LYS B 8 11.311 2.034 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS B 8 12.639 2.835 -4.696 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.821 4.384 -4.627 1.00 0.00 H new ATOM 0 HE2 LYS B 8 13.174 3.381 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS B 8 14.184 4.034 -3.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 13.369 5.808 -1.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 12.738 6.006 -3.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 11.760 5.373 -2.237 1.00 0.00 H new ATOM 1014 N VAL B 9 8.369 2.889 -1.594 1.00 0.00 N ATOM 1015 CA VAL B 9 7.601 3.820 -0.712 1.00 0.00 C ATOM 1016 C VAL B 9 8.199 5.228 -0.782 1.00 0.00 C ATOM 1017 O VAL B 9 9.392 5.397 -0.954 1.00 0.00 O ATOM 1018 CB VAL B 9 7.742 3.242 0.701 1.00 0.00 C ATOM 1019 CG1 VAL B 9 7.001 4.132 1.703 1.00 0.00 C ATOM 1020 CG2 VAL B 9 7.142 1.833 0.742 1.00 0.00 C ATOM 0 H VAL B 9 9.192 2.467 -1.164 1.00 0.00 H new ATOM 0 HA VAL B 9 6.556 3.904 -1.012 1.00 0.00 H new ATOM 0 HB VAL B 9 8.799 3.200 0.964 1.00 0.00 H new ATOM 0 HG11 VAL B 9 7.105 3.716 2.705 1.00 0.00 H new ATOM 0 HG12 VAL B 9 7.425 5.136 1.681 1.00 0.00 H new ATOM 0 HG13 VAL B 9 5.945 4.178 1.437 1.00 0.00 H new ATOM 0 HG21 VAL B 9 7.243 1.424 1.747 1.00 0.00 H new ATOM 0 HG22 VAL B 9 6.087 1.879 0.473 1.00 0.00 H new ATOM 0 HG23 VAL B 9 7.669 1.192 0.035 1.00 0.00 H new ATOM 1030 N SER B 10 7.376 6.239 -0.646 1.00 0.00 N ATOM 1031 CA SER B 10 7.886 7.643 -0.699 1.00 0.00 C ATOM 1032 C SER B 10 6.782 8.627 -0.296 1.00 0.00 C ATOM 1033 O SER B 10 5.741 8.238 0.197 1.00 0.00 O ATOM 1034 CB SER B 10 8.292 7.870 -2.156 1.00 0.00 C ATOM 1035 OG SER B 10 8.757 9.204 -2.311 1.00 0.00 O ATOM 0 H SER B 10 6.370 6.151 -0.500 1.00 0.00 H new ATOM 0 HA SER B 10 8.719 7.799 -0.014 1.00 0.00 H new ATOM 0 HB2 SER B 10 9.072 7.165 -2.442 1.00 0.00 H new ATOM 0 HB3 SER B 10 7.442 7.690 -2.815 1.00 0.00 H new ATOM 0 HG SER B 10 9.020 9.353 -3.243 1.00 0.00 H new ATOM 1041 N ARG B 11 7.008 9.899 -0.511 1.00 0.00 N ATOM 1042 CA ARG B 11 5.991 10.942 -0.154 1.00 0.00 C ATOM 1043 C ARG B 11 5.619 10.856 1.337 1.00 0.00 C ATOM 1044 O ARG B 11 6.193 11.550 2.156 1.00 0.00 O ATOM 1045 CB ARG B 11 4.776 10.671 -1.053 1.00 0.00 C ATOM 1046 CG ARG B 11 4.822 11.597 -2.273 1.00 0.00 C ATOM 1047 CD ARG B 11 6.017 11.223 -3.159 1.00 0.00 C ATOM 1048 NE ARG B 11 5.571 11.497 -4.562 1.00 0.00 N ATOM 1049 CZ ARG B 11 6.291 11.114 -5.599 1.00 0.00 C ATOM 1050 NH1 ARG B 11 7.448 10.510 -5.449 1.00 0.00 N ATOM 1051 NH2 ARG B 11 5.852 11.354 -6.804 1.00 0.00 N ATOM 0 H ARG B 11 7.865 10.266 -0.924 1.00 0.00 H new ATOM 0 HA ARG B 11 6.376 11.949 -0.312 1.00 0.00 H new ATOM 0 HB2 ARG B 11 4.774 9.629 -1.374 1.00 0.00 H new ATOM 0 HB3 ARG B 11 3.854 10.834 -0.495 1.00 0.00 H new ATOM 0 HG2 ARG B 11 3.895 11.513 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG B 11 4.906 12.635 -1.951 1.00 0.00 H new ATOM 0 HD2 ARG B 11 6.896 11.814 -2.903 1.00 0.00 H new ATOM 0 HD3 ARG B 11 6.289 10.175 -3.030 1.00 0.00 H new ATOM 0 HE ARG B 11 4.692 11.990 -4.719 1.00 0.00 H new ATOM 0 HH11 ARG B 11 7.810 10.327 -4.513 1.00 0.00 H new ATOM 0 HH12 ARG B 11 7.984 10.224 -6.268 1.00 0.00 H new ATOM 0 HH21 ARG B 11 4.961 11.833 -6.936 1.00 0.00 H new ATOM 0 HH22 ARG B 11 6.400 11.063 -7.614 1.00 0.00 H new ATOM 1065 N ASN B 12 4.667 10.023 1.703 1.00 0.00 N ATOM 1066 CA ASN B 12 4.278 9.924 3.146 1.00 0.00 C ATOM 1067 C ASN B 12 3.375 8.709 3.405 1.00 0.00 C ATOM 1068 O ASN B 12 2.172 8.833 3.531 1.00 0.00 O ATOM 1069 CB ASN B 12 3.528 11.226 3.450 1.00 0.00 C ATOM 1070 CG ASN B 12 2.326 11.373 2.511 1.00 0.00 C ATOM 1071 OD1 ASN B 12 2.482 11.715 1.355 1.00 0.00 O ATOM 1072 ND2 ASN B 12 1.125 11.130 2.961 1.00 0.00 N ATOM 0 H ASN B 12 4.149 9.414 1.069 1.00 0.00 H new ATOM 0 HA ASN B 12 5.152 9.791 3.784 1.00 0.00 H new ATOM 0 HB2 ASN B 12 3.192 11.227 4.487 1.00 0.00 H new ATOM 0 HB3 ASN B 12 4.198 12.077 3.331 1.00 0.00 H new ATOM 0 HD21 ASN B 12 0.319 11.227 2.343 1.00 0.00 H new ATOM 0 HD22 ASN B 12 0.992 10.843 3.931 1.00 0.00 H new ATOM 1079 N TYR B 13 3.954 7.535 3.506 1.00 0.00 N ATOM 1080 CA TYR B 13 3.150 6.297 3.781 1.00 0.00 C ATOM 1081 C TYR B 13 2.000 6.142 2.781 1.00 0.00 C ATOM 1082 O TYR B 13 0.846 6.046 3.161 1.00 0.00 O ATOM 1083 CB TYR B 13 2.601 6.478 5.200 1.00 0.00 C ATOM 1084 CG TYR B 13 3.744 6.575 6.182 1.00 0.00 C ATOM 1085 CD1 TYR B 13 4.507 5.441 6.483 1.00 0.00 C ATOM 1086 CD2 TYR B 13 4.038 7.800 6.794 1.00 0.00 C ATOM 1087 CE1 TYR B 13 5.563 5.530 7.399 1.00 0.00 C ATOM 1088 CE2 TYR B 13 5.093 7.889 7.708 1.00 0.00 C ATOM 1089 CZ TYR B 13 5.857 6.755 8.011 1.00 0.00 C ATOM 1090 OH TYR B 13 6.897 6.844 8.914 1.00 0.00 O ATOM 0 H TYR B 13 4.957 7.379 3.409 1.00 0.00 H new ATOM 0 HA TYR B 13 3.762 5.400 3.685 1.00 0.00 H new ATOM 0 HB2 TYR B 13 1.988 7.378 5.251 1.00 0.00 H new ATOM 0 HB3 TYR B 13 1.956 5.639 5.460 1.00 0.00 H new ATOM 0 HD1 TYR B 13 4.282 4.497 6.009 1.00 0.00 H new ATOM 0 HD2 TYR B 13 3.450 8.675 6.560 1.00 0.00 H new ATOM 0 HE1 TYR B 13 6.150 4.654 7.633 1.00 0.00 H new ATOM 0 HE2 TYR B 13 5.319 8.833 8.181 1.00 0.00 H new ATOM 0 HH TYR B 13 6.966 7.764 9.244 1.00 0.00 H new ATOM 1100 N GLN B 14 2.303 6.103 1.508 1.00 0.00 N ATOM 1101 CA GLN B 14 1.221 5.939 0.490 1.00 0.00 C ATOM 1102 C GLN B 14 1.575 4.823 -0.497 1.00 0.00 C ATOM 1103 O GLN B 14 2.733 4.526 -0.725 1.00 0.00 O ATOM 1104 CB GLN B 14 1.114 7.292 -0.222 1.00 0.00 C ATOM 1105 CG GLN B 14 2.449 7.657 -0.872 1.00 0.00 C ATOM 1106 CD GLN B 14 2.197 8.619 -2.036 1.00 0.00 C ATOM 1107 OE1 GLN B 14 2.312 9.817 -1.885 1.00 0.00 O ATOM 1108 NE2 GLN B 14 1.851 8.138 -3.198 1.00 0.00 N ATOM 0 H GLN B 14 3.248 6.177 1.131 1.00 0.00 H new ATOM 0 HA GLN B 14 0.273 5.657 0.948 1.00 0.00 H new ATOM 0 HB2 GLN B 14 0.332 7.251 -0.980 1.00 0.00 H new ATOM 0 HB3 GLN B 14 0.826 8.064 0.491 1.00 0.00 H new ATOM 0 HG2 GLN B 14 3.109 8.120 -0.139 1.00 0.00 H new ATOM 0 HG3 GLN B 14 2.951 6.758 -1.230 1.00 0.00 H new ATOM 0 HE21 GLN B 14 1.754 7.131 -3.325 1.00 0.00 H new ATOM 0 HE22 GLN B 14 1.677 8.769 -3.980 1.00 0.00 H new ATOM 1117 N VAL B 15 0.580 4.204 -1.074 1.00 0.00 N ATOM 1118 CA VAL B 15 0.834 3.098 -2.046 1.00 0.00 C ATOM 1119 C VAL B 15 0.161 3.411 -3.387 1.00 0.00 C ATOM 1120 O VAL B 15 -1.033 3.241 -3.543 1.00 0.00 O ATOM 1121 CB VAL B 15 0.206 1.855 -1.402 1.00 0.00 C ATOM 1122 CG1 VAL B 15 0.377 0.643 -2.325 1.00 0.00 C ATOM 1123 CG2 VAL B 15 0.893 1.567 -0.063 1.00 0.00 C ATOM 0 H VAL B 15 -0.404 4.418 -0.913 1.00 0.00 H new ATOM 0 HA VAL B 15 1.896 2.958 -2.250 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.856 2.040 -1.240 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.072 -0.235 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -0.114 0.839 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL B 15 1.438 0.461 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL B 15 0.446 0.684 0.393 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.956 1.390 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL B 15 0.767 2.422 0.602 1.00 0.00 H new ATOM 1133 N THR B 16 0.921 3.863 -4.353 1.00 0.00 N ATOM 1134 CA THR B 16 0.329 4.183 -5.689 1.00 0.00 C ATOM 1135 C THR B 16 0.023 2.890 -6.452 1.00 0.00 C ATOM 1136 O THR B 16 0.643 1.867 -6.226 1.00 0.00 O ATOM 1137 CB THR B 16 1.395 5.006 -6.424 1.00 0.00 C ATOM 1138 OG1 THR B 16 0.927 5.319 -7.729 1.00 0.00 O ATOM 1139 CG2 THR B 16 2.702 4.211 -6.531 1.00 0.00 C ATOM 0 H THR B 16 1.925 4.024 -4.275 1.00 0.00 H new ATOM 0 HA THR B 16 -0.609 4.732 -5.601 1.00 0.00 H new ATOM 0 HB THR B 16 1.584 5.923 -5.865 1.00 0.00 H new ATOM 0 HG1 THR B 16 1.604 5.846 -8.202 1.00 0.00 H new ATOM 0 HG21 THR B 16 3.449 4.808 -7.055 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.065 3.971 -5.532 1.00 0.00 H new ATOM 0 HG23 THR B 16 2.522 3.288 -7.083 1.00 0.00 H new ATOM 1147 N ILE B 17 -0.928 2.929 -7.349 1.00 0.00 N ATOM 1148 CA ILE B 17 -1.279 1.704 -8.130 1.00 0.00 C ATOM 1149 C ILE B 17 -0.599 1.754 -9.514 1.00 0.00 C ATOM 1150 O ILE B 17 -0.688 2.756 -10.195 1.00 0.00 O ATOM 1151 CB ILE B 17 -2.805 1.749 -8.277 1.00 0.00 C ATOM 1152 CG1 ILE B 17 -3.460 1.729 -6.892 1.00 0.00 C ATOM 1153 CG2 ILE B 17 -3.282 0.532 -9.073 1.00 0.00 C ATOM 1154 CD1 ILE B 17 -4.841 2.380 -6.972 1.00 0.00 C ATOM 0 H ILE B 17 -1.478 3.758 -7.575 1.00 0.00 H new ATOM 0 HA ILE B 17 -0.947 0.788 -7.641 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.084 2.663 -8.801 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.550 0.703 -6.535 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -2.836 2.262 -6.175 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -4.367 0.567 -9.176 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -2.823 0.541 -10.062 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.996 -0.380 -8.549 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.307 2.366 -5.987 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.738 3.411 -7.310 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -5.463 1.828 -7.676 1.00 0.00 H new ATOM 1166 N PRO B 18 0.061 0.677 -9.897 1.00 0.00 N ATOM 1167 CA PRO B 18 0.739 0.649 -11.218 1.00 0.00 C ATOM 1168 C PRO B 18 -0.284 0.814 -12.345 1.00 0.00 C ATOM 1169 O PRO B 18 -1.427 1.165 -12.111 1.00 0.00 O ATOM 1170 CB PRO B 18 1.394 -0.733 -11.286 1.00 0.00 C ATOM 1171 CG PRO B 18 1.368 -1.268 -9.889 1.00 0.00 C ATOM 1172 CD PRO B 18 0.239 -0.586 -9.167 1.00 0.00 C ATOM 0 HA PRO B 18 1.463 1.456 -11.331 1.00 0.00 H new ATOM 0 HB2 PRO B 18 0.851 -1.390 -11.966 1.00 0.00 H new ATOM 0 HB3 PRO B 18 2.416 -0.663 -11.659 1.00 0.00 H new ATOM 0 HG2 PRO B 18 1.223 -2.348 -9.894 1.00 0.00 H new ATOM 0 HG3 PRO B 18 2.316 -1.076 -9.387 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -0.669 -1.189 -9.186 1.00 0.00 H new ATOM 0 HD3 PRO B 18 0.483 -0.410 -8.119 1.00 0.00 H new ATOM 1180 N ALA B 19 0.120 0.562 -13.564 1.00 0.00 N ATOM 1181 CA ALA B 19 -0.819 0.698 -14.717 1.00 0.00 C ATOM 1182 C ALA B 19 -1.586 -0.610 -14.931 1.00 0.00 C ATOM 1183 O ALA B 19 -2.751 -0.604 -15.281 1.00 0.00 O ATOM 1184 CB ALA B 19 0.075 0.997 -15.920 1.00 0.00 C ATOM 0 H ALA B 19 1.065 0.267 -13.811 1.00 0.00 H new ATOM 0 HA ALA B 19 -1.562 1.479 -14.556 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -0.541 1.111 -16.812 1.00 0.00 H new ATOM 0 HB2 ALA B 19 0.629 1.918 -15.741 1.00 0.00 H new ATOM 0 HB3 ALA B 19 0.775 0.175 -16.066 1.00 0.00 H new ATOM 1190 N LYS B 20 -0.938 -1.728 -14.723 1.00 0.00 N ATOM 1191 CA LYS B 20 -1.625 -3.043 -14.913 1.00 0.00 C ATOM 1192 C LYS B 20 -2.725 -3.220 -13.864 1.00 0.00 C ATOM 1193 O LYS B 20 -3.818 -3.662 -14.167 1.00 0.00 O ATOM 1194 CB LYS B 20 -0.534 -4.099 -14.729 1.00 0.00 C ATOM 1195 CG LYS B 20 0.538 -3.917 -15.806 1.00 0.00 C ATOM 1196 CD LYS B 20 1.424 -5.168 -15.875 1.00 0.00 C ATOM 1197 CE LYS B 20 1.047 -6.003 -17.102 1.00 0.00 C ATOM 1198 NZ LYS B 20 1.529 -7.379 -16.796 1.00 0.00 N ATOM 0 H LYS B 20 0.037 -1.788 -14.430 1.00 0.00 H new ATOM 0 HA LYS B 20 -2.101 -3.120 -15.891 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -0.089 -4.008 -13.738 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -0.965 -5.098 -14.795 1.00 0.00 H new ATOM 0 HG2 LYS B 20 0.068 -3.739 -16.773 1.00 0.00 H new ATOM 0 HG3 LYS B 20 1.147 -3.041 -15.582 1.00 0.00 H new ATOM 0 HD2 LYS B 20 2.474 -4.879 -15.929 1.00 0.00 H new ATOM 0 HD3 LYS B 20 1.303 -5.761 -14.969 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -0.030 -5.991 -17.272 1.00 0.00 H new ATOM 0 HE3 LYS B 20 1.517 -5.612 -18.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 1.399 -7.986 -17.630 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 2.538 -7.346 -16.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 0.987 -7.767 -15.997 1.00 0.00 H new ATOM 1212 N VAL B 21 -2.443 -2.873 -12.633 1.00 0.00 N ATOM 1213 CA VAL B 21 -3.472 -3.014 -11.556 1.00 0.00 C ATOM 1214 C VAL B 21 -4.639 -2.063 -11.834 1.00 0.00 C ATOM 1215 O VAL B 21 -5.790 -2.396 -11.618 1.00 0.00 O ATOM 1216 CB VAL B 21 -2.759 -2.624 -10.256 1.00 0.00 C ATOM 1217 CG1 VAL B 21 -3.728 -2.756 -9.078 1.00 0.00 C ATOM 1218 CG2 VAL B 21 -1.558 -3.548 -10.027 1.00 0.00 C ATOM 0 H VAL B 21 -1.545 -2.498 -12.327 1.00 0.00 H new ATOM 0 HA VAL B 21 -3.879 -4.024 -11.500 1.00 0.00 H new ATOM 0 HB VAL B 21 -2.415 -1.592 -10.334 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -3.219 -2.478 -8.155 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -4.582 -2.097 -9.234 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -4.074 -3.787 -9.005 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -1.054 -3.267 -9.102 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -1.901 -4.580 -9.954 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -0.863 -3.455 -10.861 1.00 0.00 H new ATOM 1228 N ARG B 22 -4.343 -0.884 -12.314 1.00 0.00 N ATOM 1229 CA ARG B 22 -5.422 0.106 -12.614 1.00 0.00 C ATOM 1230 C ARG B 22 -6.272 -0.379 -13.792 1.00 0.00 C ATOM 1231 O ARG B 22 -7.482 -0.265 -13.782 1.00 0.00 O ATOM 1232 CB ARG B 22 -4.686 1.397 -12.979 1.00 0.00 C ATOM 1233 CG ARG B 22 -5.584 2.604 -12.697 1.00 0.00 C ATOM 1234 CD ARG B 22 -5.156 3.770 -13.592 1.00 0.00 C ATOM 1235 NE ARG B 22 -3.748 4.069 -13.185 1.00 0.00 N ATOM 1236 CZ ARG B 22 -2.890 4.625 -14.018 1.00 0.00 C ATOM 1237 NH1 ARG B 22 -3.244 4.999 -15.227 1.00 0.00 N ATOM 1238 NH2 ARG B 22 -1.661 4.823 -13.626 1.00 0.00 N ATOM 0 H ARG B 22 -3.396 -0.562 -12.513 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.099 0.247 -11.771 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -3.764 1.476 -12.403 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -4.404 1.380 -14.032 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -6.627 2.349 -12.886 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -5.511 2.890 -11.648 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -5.214 3.501 -14.647 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -5.802 4.636 -13.448 1.00 0.00 H new ATOM 0 HE ARG B 22 -3.444 3.837 -12.239 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -4.204 4.862 -15.543 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -2.559 5.427 -15.850 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -1.375 4.549 -12.686 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -0.986 5.252 -14.260 1.00 0.00 H new ATOM 1252 N GLN B 23 -5.643 -0.921 -14.805 1.00 0.00 N ATOM 1253 CA GLN B 23 -6.410 -1.421 -15.989 1.00 0.00 C ATOM 1254 C GLN B 23 -7.254 -2.633 -15.590 1.00 0.00 C ATOM 1255 O GLN B 23 -8.416 -2.733 -15.937 1.00 0.00 O ATOM 1256 CB GLN B 23 -5.351 -1.823 -17.019 1.00 0.00 C ATOM 1257 CG GLN B 23 -4.774 -0.570 -17.680 1.00 0.00 C ATOM 1258 CD GLN B 23 -3.570 -0.958 -18.540 1.00 0.00 C ATOM 1259 OE1 GLN B 23 -3.644 -1.882 -19.326 1.00 0.00 O ATOM 1260 NE2 GLN B 23 -2.455 -0.289 -18.423 1.00 0.00 N ATOM 0 H GLN B 23 -4.632 -1.039 -14.864 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.092 -0.668 -16.385 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.556 -2.390 -16.535 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -5.792 -2.474 -17.774 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -5.534 -0.087 -18.295 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -4.474 0.151 -16.919 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -2.392 0.487 -17.763 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -1.647 -0.542 -18.991 1.00 0.00 H new ATOM 1269 N LYS B 24 -6.673 -3.550 -14.860 1.00 0.00 N ATOM 1270 CA LYS B 24 -7.427 -4.764 -14.427 1.00 0.00 C ATOM 1271 C LYS B 24 -8.319 -4.426 -13.227 1.00 0.00 C ATOM 1272 O LYS B 24 -9.532 -4.415 -13.328 1.00 0.00 O ATOM 1273 CB LYS B 24 -6.350 -5.785 -14.028 1.00 0.00 C ATOM 1274 CG LYS B 24 -6.528 -7.072 -14.836 1.00 0.00 C ATOM 1275 CD LYS B 24 -5.618 -7.033 -16.065 1.00 0.00 C ATOM 1276 CE LYS B 24 -5.320 -8.460 -16.527 1.00 0.00 C ATOM 1277 NZ LYS B 24 -3.971 -8.386 -17.153 1.00 0.00 N ATOM 0 H LYS B 24 -5.704 -3.510 -14.544 1.00 0.00 H new ATOM 0 HA LYS B 24 -8.078 -5.149 -15.212 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -5.358 -5.368 -14.205 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -6.419 -6.002 -12.962 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -6.287 -7.938 -14.219 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -7.568 -7.180 -15.144 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -6.097 -6.473 -16.868 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -4.689 -6.516 -15.826 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -5.329 -9.157 -15.689 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -6.068 -8.809 -17.239 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -3.695 -9.328 -17.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -3.995 -7.720 -17.952 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -3.279 -8.057 -16.449 1.00 0.00 H new ATOM 1291 N PHE B 25 -7.721 -4.154 -12.096 1.00 0.00 N ATOM 1292 CA PHE B 25 -8.523 -3.816 -10.880 1.00 0.00 C ATOM 1293 C PHE B 25 -9.162 -2.435 -11.035 1.00 0.00 C ATOM 1294 O PHE B 25 -8.479 -1.440 -11.191 1.00 0.00 O ATOM 1295 CB PHE B 25 -7.520 -3.814 -9.723 1.00 0.00 C ATOM 1296 CG PHE B 25 -8.138 -4.482 -8.518 1.00 0.00 C ATOM 1297 CD1 PHE B 25 -9.126 -3.821 -7.779 1.00 0.00 C ATOM 1298 CD2 PHE B 25 -7.724 -5.765 -8.143 1.00 0.00 C ATOM 1299 CE1 PHE B 25 -9.700 -4.443 -6.665 1.00 0.00 C ATOM 1300 CE2 PHE B 25 -8.297 -6.387 -7.027 1.00 0.00 C ATOM 1301 CZ PHE B 25 -9.286 -5.727 -6.290 1.00 0.00 C ATOM 0 H PHE B 25 -6.710 -4.151 -11.961 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.333 -4.526 -10.714 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.610 -4.338 -10.016 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.234 -2.791 -9.478 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.445 -2.831 -8.069 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.963 -6.275 -8.714 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.462 -3.933 -6.095 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.976 -7.376 -6.735 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.730 -6.208 -5.431 1.00 0.00 H new ATOM 1311 N GLN B 26 -10.467 -2.371 -10.993 1.00 0.00 N ATOM 1312 CA GLN B 26 -11.165 -1.056 -11.135 1.00 0.00 C ATOM 1313 C GLN B 26 -11.141 -0.294 -9.805 1.00 0.00 C ATOM 1314 O GLN B 26 -11.817 -0.655 -8.859 1.00 0.00 O ATOM 1315 CB GLN B 26 -12.604 -1.399 -11.546 1.00 0.00 C ATOM 1316 CG GLN B 26 -13.260 -2.311 -10.494 1.00 0.00 C ATOM 1317 CD GLN B 26 -13.783 -3.586 -11.165 1.00 0.00 C ATOM 1318 OE1 GLN B 26 -14.141 -3.572 -12.325 1.00 0.00 O ATOM 1319 NE2 GLN B 26 -13.841 -4.695 -10.478 1.00 0.00 N ATOM 0 H GLN B 26 -11.082 -3.174 -10.866 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.683 -0.414 -11.872 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -13.185 -0.484 -11.656 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -12.603 -1.895 -12.517 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.537 -2.567 -9.720 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -14.079 -1.785 -10.004 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.540 -4.707 -9.503 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -14.187 -5.549 -10.916 1.00 0.00 H new ATOM 1328 N ILE B 27 -10.368 0.761 -9.730 1.00 0.00 N ATOM 1329 CA ILE B 27 -10.294 1.556 -8.466 1.00 0.00 C ATOM 1330 C ILE B 27 -10.328 3.055 -8.786 1.00 0.00 C ATOM 1331 O ILE B 27 -9.315 3.728 -8.743 1.00 0.00 O ATOM 1332 CB ILE B 27 -8.958 1.170 -7.818 1.00 0.00 C ATOM 1333 CG1 ILE B 27 -8.927 -0.343 -7.557 1.00 0.00 C ATOM 1334 CG2 ILE B 27 -8.797 1.914 -6.487 1.00 0.00 C ATOM 1335 CD1 ILE B 27 -7.558 -0.753 -6.998 1.00 0.00 C ATOM 0 H ILE B 27 -9.784 1.106 -10.492 1.00 0.00 H new ATOM 0 HA ILE B 27 -11.134 1.352 -7.802 1.00 0.00 H new ATOM 0 HB ILE B 27 -8.144 1.441 -8.490 1.00 0.00 H new ATOM 0 HG12 ILE B 27 -9.713 -0.615 -6.852 1.00 0.00 H new ATOM 0 HG13 ILE B 27 -9.128 -0.884 -8.482 1.00 0.00 H new ATOM 0 HG21 ILE B 27 -7.847 1.638 -6.029 1.00 0.00 H new ATOM 0 HG22 ILE B 27 -8.815 2.989 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE B 27 -9.614 1.644 -5.818 1.00 0.00 H new ATOM 0 HD11 ILE B 27 -7.546 -1.828 -6.816 1.00 0.00 H new ATOM 0 HD12 ILE B 27 -6.780 -0.498 -7.718 1.00 0.00 H new ATOM 0 HD13 ILE B 27 -7.374 -0.225 -6.062 1.00 0.00 H new ATOM 1347 N LYS B 28 -11.486 3.576 -9.104 1.00 0.00 N ATOM 1348 CA LYS B 28 -11.597 5.031 -9.425 1.00 0.00 C ATOM 1349 C LYS B 28 -12.064 5.806 -8.190 1.00 0.00 C ATOM 1350 O LYS B 28 -12.371 5.228 -7.165 1.00 0.00 O ATOM 1351 CB LYS B 28 -12.645 5.113 -10.544 1.00 0.00 C ATOM 1352 CG LYS B 28 -11.967 5.492 -11.864 1.00 0.00 C ATOM 1353 CD LYS B 28 -12.946 6.291 -12.727 1.00 0.00 C ATOM 1354 CE LYS B 28 -12.189 6.953 -13.881 1.00 0.00 C ATOM 1355 NZ LYS B 28 -13.239 7.301 -14.878 1.00 0.00 N ATOM 0 H LYS B 28 -12.361 3.055 -9.155 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.644 5.463 -9.730 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.154 4.155 -10.648 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.405 5.852 -10.290 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.071 6.082 -11.669 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.648 4.594 -12.393 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.723 5.634 -13.118 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.444 7.049 -12.123 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.654 7.841 -13.545 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.448 6.277 -14.307 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.798 7.760 -15.701 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.727 6.435 -15.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.926 7.951 -14.446 1.00 0.00 H new ATOM 1369 N GLU B 29 -12.122 7.112 -8.283 1.00 0.00 N ATOM 1370 CA GLU B 29 -12.572 7.931 -7.114 1.00 0.00 C ATOM 1371 C GLU B 29 -14.009 7.561 -6.737 1.00 0.00 C ATOM 1372 O GLU B 29 -14.904 7.590 -7.563 1.00 0.00 O ATOM 1373 CB GLU B 29 -12.491 9.392 -7.579 1.00 0.00 C ATOM 1374 CG GLU B 29 -13.368 9.603 -8.823 1.00 0.00 C ATOM 1375 CD GLU B 29 -12.554 10.290 -9.924 1.00 0.00 C ATOM 1376 OE1 GLU B 29 -11.443 9.852 -10.172 1.00 0.00 O ATOM 1377 OE2 GLU B 29 -13.057 11.240 -10.502 1.00 0.00 O ATOM 0 H GLU B 29 -11.877 7.646 -9.117 1.00 0.00 H new ATOM 0 HA GLU B 29 -11.956 7.760 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -12.818 10.055 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -11.457 9.652 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -13.744 8.644 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -14.236 10.210 -8.568 1.00 0.00 H new ATOM 1384 N GLY B 30 -14.231 7.210 -5.498 1.00 0.00 N ATOM 1385 CA GLY B 30 -15.604 6.830 -5.054 1.00 0.00 C ATOM 1386 C GLY B 30 -15.715 5.303 -4.946 1.00 0.00 C ATOM 1387 O GLY B 30 -16.800 4.755 -4.954 1.00 0.00 O ATOM 0 H GLY B 30 -13.517 7.170 -4.771 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -15.823 7.288 -4.090 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -16.342 7.208 -5.762 1.00 0.00 H new ATOM 1391 N ASP B 31 -14.603 4.614 -4.833 1.00 0.00 N ATOM 1392 CA ASP B 31 -14.649 3.125 -4.713 1.00 0.00 C ATOM 1393 C ASP B 31 -14.199 2.709 -3.312 1.00 0.00 C ATOM 1394 O ASP B 31 -13.063 2.917 -2.929 1.00 0.00 O ATOM 1395 CB ASP B 31 -13.676 2.603 -5.772 1.00 0.00 C ATOM 1396 CG ASP B 31 -14.401 2.471 -7.112 1.00 0.00 C ATOM 1397 OD1 ASP B 31 -15.302 1.653 -7.198 1.00 0.00 O ATOM 1398 OD2 ASP B 31 -14.043 3.191 -8.030 1.00 0.00 O ATOM 0 H ASP B 31 -13.667 5.020 -4.819 1.00 0.00 H new ATOM 0 HA ASP B 31 -15.652 2.725 -4.863 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -12.830 3.283 -5.870 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -13.275 1.637 -5.467 1.00 0.00 H new ATOM 1403 N LEU B 32 -15.086 2.135 -2.544 1.00 0.00 N ATOM 1404 CA LEU B 32 -14.724 1.713 -1.157 1.00 0.00 C ATOM 1405 C LEU B 32 -13.794 0.497 -1.185 1.00 0.00 C ATOM 1406 O LEU B 32 -14.240 -0.633 -1.266 1.00 0.00 O ATOM 1407 CB LEU B 32 -16.051 1.352 -0.485 1.00 0.00 C ATOM 1408 CG LEU B 32 -16.543 2.536 0.351 1.00 0.00 C ATOM 1409 CD1 LEU B 32 -18.073 2.582 0.318 1.00 0.00 C ATOM 1410 CD2 LEU B 32 -16.069 2.372 1.799 1.00 0.00 C ATOM 0 H LEU B 32 -16.049 1.939 -2.817 1.00 0.00 H new ATOM 0 HA LEU B 32 -14.195 2.501 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -16.794 1.093 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -15.922 0.475 0.149 1.00 0.00 H new ATOM 0 HG LEU B 32 -16.142 3.462 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -18.425 3.425 0.913 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -18.411 2.698 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -18.474 1.655 0.729 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -16.419 3.215 2.394 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -16.470 1.446 2.210 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -14.980 2.338 1.824 1.00 0.00 H new ATOM 1422 N VAL B 33 -12.507 0.720 -1.104 1.00 0.00 N ATOM 1423 CA VAL B 33 -11.541 -0.420 -1.108 1.00 0.00 C ATOM 1424 C VAL B 33 -11.212 -0.812 0.335 1.00 0.00 C ATOM 1425 O VAL B 33 -10.935 0.032 1.166 1.00 0.00 O ATOM 1426 CB VAL B 33 -10.292 0.105 -1.823 1.00 0.00 C ATOM 1427 CG1 VAL B 33 -9.227 -0.995 -1.879 1.00 0.00 C ATOM 1428 CG2 VAL B 33 -10.658 0.524 -3.251 1.00 0.00 C ATOM 0 H VAL B 33 -12.083 1.645 -1.035 1.00 0.00 H new ATOM 0 HA VAL B 33 -11.940 -1.304 -1.606 1.00 0.00 H new ATOM 0 HB VAL B 33 -9.901 0.963 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -8.340 -0.617 -2.388 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -8.962 -1.297 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -9.620 -1.854 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -9.769 0.898 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -11.052 -0.336 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -11.414 1.309 -3.218 1.00 0.00 H new ATOM 1438 N LYS B 34 -11.245 -2.085 0.638 1.00 0.00 N ATOM 1439 CA LYS B 34 -10.940 -2.531 2.029 1.00 0.00 C ATOM 1440 C LYS B 34 -9.496 -3.028 2.124 1.00 0.00 C ATOM 1441 O LYS B 34 -8.843 -3.262 1.126 1.00 0.00 O ATOM 1442 CB LYS B 34 -11.927 -3.667 2.309 1.00 0.00 C ATOM 1443 CG LYS B 34 -13.343 -3.095 2.481 1.00 0.00 C ATOM 1444 CD LYS B 34 -14.221 -3.503 1.289 1.00 0.00 C ATOM 1445 CE LYS B 34 -15.071 -2.311 0.839 1.00 0.00 C ATOM 1446 NZ LYS B 34 -16.222 -2.279 1.785 1.00 0.00 N ATOM 0 H LYS B 34 -11.470 -2.833 -0.018 1.00 0.00 H new ATOM 0 HA LYS B 34 -11.040 -1.722 2.753 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -11.912 -4.385 1.489 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -11.630 -4.205 3.209 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -13.782 -3.461 3.409 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -13.299 -2.008 2.556 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -13.595 -3.847 0.465 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -14.866 -4.336 1.569 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -14.501 -1.383 0.879 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -15.409 -2.433 -0.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -16.850 -1.487 1.540 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -16.750 -3.173 1.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -15.870 -2.155 2.756 1.00 0.00 H new ATOM 1460 N VAL B 35 -8.996 -3.182 3.323 1.00 0.00 N ATOM 1461 CA VAL B 35 -7.593 -3.657 3.506 1.00 0.00 C ATOM 1462 C VAL B 35 -7.485 -4.468 4.802 1.00 0.00 C ATOM 1463 O VAL B 35 -8.023 -4.087 5.824 1.00 0.00 O ATOM 1464 CB VAL B 35 -6.745 -2.375 3.583 1.00 0.00 C ATOM 1465 CG1 VAL B 35 -7.223 -1.497 4.748 1.00 0.00 C ATOM 1466 CG2 VAL B 35 -5.267 -2.742 3.789 1.00 0.00 C ATOM 0 H VAL B 35 -9.503 -2.998 4.188 1.00 0.00 H new ATOM 0 HA VAL B 35 -7.260 -4.308 2.697 1.00 0.00 H new ATOM 0 HB VAL B 35 -6.855 -1.822 2.650 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -6.617 -0.592 4.794 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -8.268 -1.226 4.595 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -7.124 -2.048 5.683 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -4.670 -1.832 3.843 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -5.157 -3.303 4.717 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -4.924 -3.352 2.953 1.00 0.00 H new ATOM 1476 N THR B 36 -6.800 -5.585 4.765 1.00 0.00 N ATOM 1477 CA THR B 36 -6.667 -6.422 5.996 1.00 0.00 C ATOM 1478 C THR B 36 -5.266 -7.031 6.096 1.00 0.00 C ATOM 1479 O THR B 36 -4.649 -7.366 5.103 1.00 0.00 O ATOM 1480 CB THR B 36 -7.714 -7.528 5.840 1.00 0.00 C ATOM 1481 OG1 THR B 36 -7.449 -8.265 4.655 1.00 0.00 O ATOM 1482 CG2 THR B 36 -9.110 -6.909 5.758 1.00 0.00 C ATOM 0 H THR B 36 -6.329 -5.952 3.938 1.00 0.00 H new ATOM 0 HA THR B 36 -6.817 -5.833 6.901 1.00 0.00 H new ATOM 0 HB THR B 36 -7.668 -8.195 6.701 1.00 0.00 H new ATOM 0 HG1 THR B 36 -8.117 -8.975 4.555 1.00 0.00 H new ATOM 0 HG21 THR B 36 -9.852 -7.699 5.647 1.00 0.00 H new ATOM 0 HG22 THR B 36 -9.313 -6.346 6.669 1.00 0.00 H new ATOM 0 HG23 THR B 36 -9.161 -6.240 4.899 1.00 0.00 H new ATOM 1490 N PHE B 37 -4.770 -7.185 7.299 1.00 0.00 N ATOM 1491 CA PHE B 37 -3.416 -7.783 7.490 1.00 0.00 C ATOM 1492 C PHE B 37 -3.560 -9.232 7.967 1.00 0.00 C ATOM 1493 O PHE B 37 -4.422 -9.544 8.767 1.00 0.00 O ATOM 1494 CB PHE B 37 -2.745 -6.915 8.564 1.00 0.00 C ATOM 1495 CG PHE B 37 -1.348 -7.425 8.858 1.00 0.00 C ATOM 1496 CD1 PHE B 37 -0.468 -7.732 7.808 1.00 0.00 C ATOM 1497 CD2 PHE B 37 -0.930 -7.581 10.185 1.00 0.00 C ATOM 1498 CE1 PHE B 37 0.823 -8.198 8.088 1.00 0.00 C ATOM 1499 CE2 PHE B 37 0.362 -8.046 10.464 1.00 0.00 C ATOM 1500 CZ PHE B 37 1.237 -8.353 9.416 1.00 0.00 C ATOM 0 H PHE B 37 -5.249 -6.920 8.160 1.00 0.00 H new ATOM 0 HA PHE B 37 -2.829 -7.804 6.572 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -2.698 -5.880 8.227 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -3.343 -6.926 9.476 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -0.787 -7.609 6.783 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -1.604 -7.343 10.994 1.00 0.00 H new ATOM 0 HE1 PHE B 37 1.498 -8.437 7.280 1.00 0.00 H new ATOM 0 HE2 PHE B 37 0.683 -8.168 11.488 1.00 0.00 H new ATOM 0 HZ PHE B 37 2.233 -8.710 9.632 1.00 0.00 H new ATOM 1510 N ASP B 38 -2.730 -10.117 7.475 1.00 0.00 N ATOM 1511 CA ASP B 38 -2.824 -11.550 7.889 1.00 0.00 C ATOM 1512 C ASP B 38 -1.734 -11.889 8.910 1.00 0.00 C ATOM 1513 O ASP B 38 -0.863 -11.088 9.191 1.00 0.00 O ATOM 1514 CB ASP B 38 -2.619 -12.346 6.601 1.00 0.00 C ATOM 1515 CG ASP B 38 -3.929 -12.392 5.813 1.00 0.00 C ATOM 1516 OD1 ASP B 38 -4.754 -13.236 6.121 1.00 0.00 O ATOM 1517 OD2 ASP B 38 -4.085 -11.583 4.913 1.00 0.00 O ATOM 0 H ASP B 38 -1.991 -9.909 6.804 1.00 0.00 H new ATOM 0 HA ASP B 38 -3.778 -11.777 8.365 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -1.836 -11.886 5.998 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -2.288 -13.358 6.835 1.00 0.00 H new ATOM 1522 N GLU B 39 -1.779 -13.076 9.459 1.00 0.00 N ATOM 1523 CA GLU B 39 -0.751 -13.488 10.461 1.00 0.00 C ATOM 1524 C GLU B 39 -0.044 -14.763 9.993 1.00 0.00 C ATOM 1525 O GLU B 39 0.336 -15.600 10.790 1.00 0.00 O ATOM 1526 CB GLU B 39 -1.534 -13.752 11.748 1.00 0.00 C ATOM 1527 CG GLU B 39 -1.565 -12.483 12.601 1.00 0.00 C ATOM 1528 CD GLU B 39 -2.724 -12.567 13.597 1.00 0.00 C ATOM 1529 OE1 GLU B 39 -2.947 -13.643 14.126 1.00 0.00 O ATOM 1530 OE2 GLU B 39 -3.367 -11.553 13.815 1.00 0.00 O ATOM 0 H GLU B 39 -2.487 -13.781 9.255 1.00 0.00 H new ATOM 0 HA GLU B 39 0.018 -12.728 10.602 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.550 -14.066 11.509 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.071 -14.566 12.306 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -0.621 -12.367 13.134 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -1.682 -11.606 11.964 1.00 0.00 H new ATOM 1537 N SER B 40 0.130 -14.915 8.704 1.00 0.00 N ATOM 1538 CA SER B 40 0.809 -16.136 8.172 1.00 0.00 C ATOM 1539 C SER B 40 2.050 -15.748 7.362 1.00 0.00 C ATOM 1540 O SER B 40 3.162 -16.088 7.717 1.00 0.00 O ATOM 1541 CB SER B 40 -0.230 -16.805 7.274 1.00 0.00 C ATOM 1542 OG SER B 40 0.355 -17.935 6.642 1.00 0.00 O ATOM 0 H SER B 40 -0.170 -14.245 7.996 1.00 0.00 H new ATOM 0 HA SER B 40 1.149 -16.798 8.969 1.00 0.00 H new ATOM 0 HB2 SER B 40 -1.095 -17.110 7.863 1.00 0.00 H new ATOM 0 HB3 SER B 40 -0.588 -16.099 6.524 1.00 0.00 H new ATOM 0 HG SER B 40 -0.309 -18.368 6.066 1.00 0.00 H new ATOM 1548 N GLU B 41 1.864 -15.045 6.273 1.00 0.00 N ATOM 1549 CA GLU B 41 3.028 -14.637 5.430 1.00 0.00 C ATOM 1550 C GLU B 41 3.442 -13.197 5.748 1.00 0.00 C ATOM 1551 O GLU B 41 4.613 -12.861 5.731 1.00 0.00 O ATOM 1552 CB GLU B 41 2.531 -14.743 3.989 1.00 0.00 C ATOM 1553 CG GLU B 41 2.849 -16.136 3.440 1.00 0.00 C ATOM 1554 CD GLU B 41 4.355 -16.260 3.203 1.00 0.00 C ATOM 1555 OE1 GLU B 41 4.960 -15.270 2.826 1.00 0.00 O ATOM 1556 OE2 GLU B 41 4.878 -17.343 3.403 1.00 0.00 O ATOM 0 H GLU B 41 0.954 -14.736 5.931 1.00 0.00 H new ATOM 0 HA GLU B 41 3.902 -15.263 5.609 1.00 0.00 H new ATOM 0 HB2 GLU B 41 1.457 -14.561 3.949 1.00 0.00 H new ATOM 0 HB3 GLU B 41 3.006 -13.980 3.372 1.00 0.00 H new ATOM 0 HG2 GLU B 41 2.517 -16.900 4.143 1.00 0.00 H new ATOM 0 HG3 GLU B 41 2.309 -16.303 2.508 1.00 0.00 H new ATOM 1563 N GLY B 42 2.491 -12.344 6.033 1.00 0.00 N ATOM 1564 CA GLY B 42 2.821 -10.922 6.349 1.00 0.00 C ATOM 1565 C GLY B 42 2.555 -10.053 5.118 1.00 0.00 C ATOM 1566 O GLY B 42 3.434 -9.371 4.627 1.00 0.00 O ATOM 0 H GLY B 42 1.497 -12.572 6.060 1.00 0.00 H new ATOM 0 HA2 GLY B 42 2.219 -10.576 7.189 1.00 0.00 H new ATOM 0 HA3 GLY B 42 3.866 -10.837 6.649 1.00 0.00 H new ATOM 1570 N VAL B 43 1.347 -10.083 4.615 1.00 0.00 N ATOM 1571 CA VAL B 43 1.009 -9.269 3.409 1.00 0.00 C ATOM 1572 C VAL B 43 -0.314 -8.523 3.631 1.00 0.00 C ATOM 1573 O VAL B 43 -1.047 -8.819 4.557 1.00 0.00 O ATOM 1574 CB VAL B 43 0.876 -10.291 2.271 1.00 0.00 C ATOM 1575 CG1 VAL B 43 2.208 -11.027 2.081 1.00 0.00 C ATOM 1576 CG2 VAL B 43 -0.222 -11.310 2.607 1.00 0.00 C ATOM 0 H VAL B 43 0.578 -10.638 4.989 1.00 0.00 H new ATOM 0 HA VAL B 43 1.763 -8.513 3.189 1.00 0.00 H new ATOM 0 HB VAL B 43 0.613 -9.766 1.353 1.00 0.00 H new ATOM 0 HG11 VAL B 43 2.111 -11.752 1.273 1.00 0.00 H new ATOM 0 HG12 VAL B 43 2.989 -10.308 1.832 1.00 0.00 H new ATOM 0 HG13 VAL B 43 2.472 -11.545 3.003 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -0.310 -12.031 1.795 1.00 0.00 H new ATOM 0 HG22 VAL B 43 0.035 -11.831 3.529 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -1.172 -10.792 2.736 1.00 0.00 H new ATOM 1586 N VAL B 44 -0.628 -7.563 2.792 1.00 0.00 N ATOM 1587 CA VAL B 44 -1.912 -6.812 2.964 1.00 0.00 C ATOM 1588 C VAL B 44 -2.788 -6.987 1.720 1.00 0.00 C ATOM 1589 O VAL B 44 -2.426 -6.582 0.632 1.00 0.00 O ATOM 1590 CB VAL B 44 -1.512 -5.342 3.145 1.00 0.00 C ATOM 1591 CG1 VAL B 44 -2.763 -4.501 3.407 1.00 0.00 C ATOM 1592 CG2 VAL B 44 -0.556 -5.205 4.334 1.00 0.00 C ATOM 0 H VAL B 44 -0.055 -7.269 2.001 1.00 0.00 H new ATOM 0 HA VAL B 44 -2.487 -7.173 3.817 1.00 0.00 H new ATOM 0 HB VAL B 44 -1.016 -4.994 2.239 1.00 0.00 H new ATOM 0 HG11 VAL B 44 -2.479 -3.457 3.536 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -3.445 -4.590 2.561 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -3.258 -4.856 4.311 1.00 0.00 H new ATOM 0 HG21 VAL B 44 -0.276 -4.159 4.457 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -1.049 -5.558 5.240 1.00 0.00 H new ATOM 0 HG23 VAL B 44 0.338 -5.801 4.152 1.00 0.00 H new ATOM 1602 N LYS B 45 -3.935 -7.599 1.877 1.00 0.00 N ATOM 1603 CA LYS B 45 -4.844 -7.821 0.712 1.00 0.00 C ATOM 1604 C LYS B 45 -5.946 -6.758 0.684 1.00 0.00 C ATOM 1605 O LYS B 45 -6.486 -6.384 1.707 1.00 0.00 O ATOM 1606 CB LYS B 45 -5.443 -9.207 0.948 1.00 0.00 C ATOM 1607 CG LYS B 45 -6.298 -9.612 -0.257 1.00 0.00 C ATOM 1608 CD LYS B 45 -7.566 -10.321 0.228 1.00 0.00 C ATOM 1609 CE LYS B 45 -8.510 -9.298 0.866 1.00 0.00 C ATOM 1610 NZ LYS B 45 -9.195 -10.038 1.961 1.00 0.00 N ATOM 0 H LYS B 45 -4.282 -7.956 2.767 1.00 0.00 H new ATOM 0 HA LYS B 45 -4.320 -7.754 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -4.648 -9.936 1.103 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -6.051 -9.202 1.852 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -6.563 -8.730 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -5.730 -10.270 -0.914 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -8.061 -10.817 -0.607 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -7.309 -11.095 0.951 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -7.960 -8.440 1.253 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -9.227 -8.915 0.139 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -9.860 -9.402 2.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -9.716 -10.845 1.562 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -8.488 -10.385 2.641 1.00 0.00 H new ATOM 1624 N ILE B 46 -6.282 -6.271 -0.486 1.00 0.00 N ATOM 1625 CA ILE B 46 -7.350 -5.228 -0.594 1.00 0.00 C ATOM 1626 C ILE B 46 -8.356 -5.605 -1.688 1.00 0.00 C ATOM 1627 O ILE B 46 -8.047 -6.356 -2.595 1.00 0.00 O ATOM 1628 CB ILE B 46 -6.628 -3.926 -0.966 1.00 0.00 C ATOM 1629 CG1 ILE B 46 -5.781 -4.134 -2.234 1.00 0.00 C ATOM 1630 CG2 ILE B 46 -5.726 -3.484 0.193 1.00 0.00 C ATOM 1631 CD1 ILE B 46 -6.011 -2.975 -3.207 1.00 0.00 C ATOM 0 H ILE B 46 -5.862 -6.551 -1.372 1.00 0.00 H new ATOM 0 HA ILE B 46 -7.907 -5.129 0.338 1.00 0.00 H new ATOM 0 HB ILE B 46 -7.371 -3.152 -1.160 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -4.725 -4.196 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -6.047 -5.078 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -5.215 -2.559 -0.076 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -6.333 -3.318 1.083 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -4.988 -4.260 0.396 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -5.409 -3.127 -4.103 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -7.065 -2.934 -3.481 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -5.723 -2.038 -2.731 1.00 0.00 H new ATOM 1643 N GLN B 47 -9.557 -5.085 -1.608 1.00 0.00 N ATOM 1644 CA GLN B 47 -10.590 -5.405 -2.641 1.00 0.00 C ATOM 1645 C GLN B 47 -11.712 -4.358 -2.620 1.00 0.00 C ATOM 1646 O GLN B 47 -11.802 -3.555 -1.712 1.00 0.00 O ATOM 1647 CB GLN B 47 -11.124 -6.786 -2.248 1.00 0.00 C ATOM 1648 CG GLN B 47 -11.744 -6.735 -0.846 1.00 0.00 C ATOM 1649 CD GLN B 47 -11.806 -8.147 -0.262 1.00 0.00 C ATOM 1650 OE1 GLN B 47 -11.885 -9.114 -0.993 1.00 0.00 O ATOM 1651 NE2 GLN B 47 -11.777 -8.307 1.032 1.00 0.00 N ATOM 0 H GLN B 47 -9.866 -4.452 -0.870 1.00 0.00 H new ATOM 0 HA GLN B 47 -10.181 -5.399 -3.651 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -11.870 -7.115 -2.972 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -10.315 -7.516 -2.270 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -11.152 -6.088 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -12.745 -6.306 -0.895 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -11.711 -7.494 1.645 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -11.821 -9.245 1.431 1.00 0.00 H new ATOM 1660 N LEU B 48 -12.570 -4.375 -3.610 1.00 0.00 N ATOM 1661 CA LEU B 48 -13.694 -3.390 -3.647 1.00 0.00 C ATOM 1662 C LEU B 48 -14.818 -3.858 -2.713 1.00 0.00 C ATOM 1663 O LEU B 48 -14.568 -4.543 -1.742 1.00 0.00 O ATOM 1664 CB LEU B 48 -14.158 -3.366 -5.112 1.00 0.00 C ATOM 1665 CG LEU B 48 -14.169 -1.922 -5.621 1.00 0.00 C ATOM 1666 CD1 LEU B 48 -12.730 -1.438 -5.804 1.00 0.00 C ATOM 1667 CD2 LEU B 48 -14.907 -1.851 -6.962 1.00 0.00 C ATOM 0 H LEU B 48 -12.540 -5.028 -4.393 1.00 0.00 H new ATOM 0 HA LEU B 48 -13.398 -2.396 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -13.493 -3.974 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -15.154 -3.800 -5.196 1.00 0.00 H new ATOM 0 HG LEU B 48 -14.679 -1.287 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -12.735 -0.410 -6.166 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -12.207 -1.483 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -12.221 -2.075 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -14.912 -0.822 -7.320 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -14.401 -2.486 -7.690 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -15.933 -2.195 -6.831 1.00 0.00 H new ATOM 1679 N LEU B 49 -16.048 -3.490 -2.992 1.00 0.00 N ATOM 1680 CA LEU B 49 -17.185 -3.915 -2.108 1.00 0.00 C ATOM 1681 C LEU B 49 -17.232 -5.442 -1.977 1.00 0.00 C ATOM 1682 O LEU B 49 -17.870 -6.123 -2.757 1.00 0.00 O ATOM 1683 CB LEU B 49 -18.450 -3.402 -2.801 1.00 0.00 C ATOM 1684 CG LEU B 49 -19.492 -3.027 -1.745 1.00 0.00 C ATOM 1685 CD1 LEU B 49 -19.108 -1.695 -1.096 1.00 0.00 C ATOM 1686 CD2 LEU B 49 -20.865 -2.890 -2.409 1.00 0.00 C ATOM 0 H LEU B 49 -16.314 -2.915 -3.791 1.00 0.00 H new ATOM 0 HA LEU B 49 -17.080 -3.516 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU B 49 -18.214 -2.535 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU B 49 -18.849 -4.168 -3.466 1.00 0.00 H new ATOM 0 HG LEU B 49 -19.530 -3.805 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU B 49 -19.851 -1.429 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU B 49 -18.131 -1.789 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU B 49 -19.069 -0.917 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU B 49 -21.608 -2.623 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU B 49 -20.824 -2.112 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU B 49 -21.142 -3.837 -2.872 1.00 0.00 H new ATOM 1698 N LYS B 50 -16.562 -5.978 -0.988 1.00 0.00 N ATOM 1699 CA LYS B 50 -16.556 -7.458 -0.781 1.00 0.00 C ATOM 1700 C LYS B 50 -15.902 -7.785 0.564 1.00 0.00 C ATOM 1701 O LYS B 50 -14.885 -7.220 0.919 1.00 0.00 O ATOM 1702 CB LYS B 50 -15.724 -8.029 -1.940 1.00 0.00 C ATOM 1703 CG LYS B 50 -16.586 -8.980 -2.781 1.00 0.00 C ATOM 1704 CD LYS B 50 -15.745 -10.183 -3.236 1.00 0.00 C ATOM 1705 CE LYS B 50 -15.887 -10.375 -4.749 1.00 0.00 C ATOM 1706 NZ LYS B 50 -17.120 -11.193 -4.917 1.00 0.00 N ATOM 0 H LYS B 50 -16.014 -5.449 -0.310 1.00 0.00 H new ATOM 0 HA LYS B 50 -17.561 -7.880 -0.766 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -15.347 -7.218 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -14.856 -8.560 -1.549 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.441 -9.322 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.983 -8.454 -3.649 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -14.698 -10.025 -2.977 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.070 -11.083 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -15.975 -9.417 -5.262 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -15.017 -10.882 -5.166 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -17.286 -11.368 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.004 -12.101 -4.423 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.933 -10.682 -4.516 1.00 0.00 H new ATOM 1720 N GLU B 51 -16.480 -8.689 1.315 1.00 0.00 N ATOM 1721 CA GLU B 51 -15.893 -9.049 2.641 1.00 0.00 C ATOM 1722 C GLU B 51 -15.631 -10.564 2.723 1.00 0.00 C ATOM 1723 O GLU B 51 -16.061 -11.209 3.659 1.00 0.00 O ATOM 1724 CB GLU B 51 -16.950 -8.627 3.663 1.00 0.00 C ATOM 1725 CG GLU B 51 -16.264 -8.019 4.888 1.00 0.00 C ATOM 1726 CD GLU B 51 -15.795 -6.598 4.562 1.00 0.00 C ATOM 1727 OE1 GLU B 51 -15.433 -6.360 3.421 1.00 0.00 O ATOM 1728 OE2 GLU B 51 -15.804 -5.773 5.460 1.00 0.00 O ATOM 0 H GLU B 51 -17.332 -9.192 1.067 1.00 0.00 H new ATOM 0 HA GLU B 51 -14.935 -8.559 2.815 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -17.632 -7.902 3.218 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -17.549 -9.488 3.959 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -16.954 -8.000 5.732 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -15.414 -8.634 5.184 1.00 0.00 H new ATOM 1735 N PRO B 52 -14.925 -11.094 1.744 1.00 0.00 N ATOM 1736 CA PRO B 52 -14.620 -12.548 1.748 1.00 0.00 C ATOM 1737 C PRO B 52 -13.633 -12.870 2.874 1.00 0.00 C ATOM 1738 O PRO B 52 -12.462 -12.553 2.792 1.00 0.00 O ATOM 1739 CB PRO B 52 -13.983 -12.798 0.382 1.00 0.00 C ATOM 1740 CG PRO B 52 -13.489 -11.464 -0.080 1.00 0.00 C ATOM 1741 CD PRO B 52 -14.357 -10.417 0.567 1.00 0.00 C ATOM 0 HA PRO B 52 -15.500 -13.170 1.914 1.00 0.00 H new ATOM 0 HB2 PRO B 52 -13.165 -13.515 0.456 1.00 0.00 H new ATOM 0 HB3 PRO B 52 -14.708 -13.212 -0.319 1.00 0.00 H new ATOM 0 HG2 PRO B 52 -12.445 -11.323 0.199 1.00 0.00 H new ATOM 0 HG3 PRO B 52 -13.542 -11.390 -1.166 1.00 0.00 H new ATOM 0 HD2 PRO B 52 -13.776 -9.540 0.854 1.00 0.00 H new ATOM 0 HD3 PRO B 52 -15.139 -10.074 -0.111 1.00 0.00 H new ATOM 1749 N TRP B 53 -14.102 -13.491 3.929 1.00 0.00 N ATOM 1750 CA TRP B 53 -13.194 -13.827 5.068 1.00 0.00 C ATOM 1751 C TRP B 53 -13.433 -15.265 5.543 1.00 0.00 C ATOM 1752 O TRP B 53 -12.555 -16.104 5.461 1.00 0.00 O ATOM 1753 CB TRP B 53 -13.558 -12.822 6.172 1.00 0.00 C ATOM 1754 CG TRP B 53 -12.318 -12.158 6.684 1.00 0.00 C ATOM 1755 CD1 TRP B 53 -11.917 -10.904 6.368 1.00 0.00 C ATOM 1756 CD2 TRP B 53 -11.316 -12.690 7.594 1.00 0.00 C ATOM 1757 NE1 TRP B 53 -10.732 -10.635 7.029 1.00 0.00 N ATOM 1758 CE2 TRP B 53 -10.320 -11.705 7.797 1.00 0.00 C ATOM 1759 CE3 TRP B 53 -11.176 -13.921 8.258 1.00 0.00 C ATOM 1760 CZ2 TRP B 53 -9.224 -11.935 8.628 1.00 0.00 C ATOM 1761 CZ3 TRP B 53 -10.075 -14.157 9.096 1.00 0.00 C ATOM 1762 CH2 TRP B 53 -9.101 -13.165 9.281 1.00 0.00 C ATOM 0 H TRP B 53 -15.073 -13.779 4.050 1.00 0.00 H new ATOM 0 HA TRP B 53 -12.142 -13.765 4.788 1.00 0.00 H new ATOM 0 HB2 TRP B 53 -14.247 -12.073 5.782 1.00 0.00 H new ATOM 0 HB3 TRP B 53 -14.070 -13.333 6.987 1.00 0.00 H new ATOM 0 HD1 TRP B 53 -12.437 -10.225 5.708 1.00 0.00 H new ATOM 0 HE1 TRP B 53 -10.224 -9.753 6.957 1.00 0.00 H new ATOM 0 HE3 TRP B 53 -11.921 -14.691 8.122 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 -8.476 -11.169 8.766 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 -9.977 -15.107 9.601 1.00 0.00 H new ATOM 0 HH2 TRP B 53 -8.256 -13.351 9.928 1.00 0.00 H new ATOM 1773 N LYS B 54 -14.609 -15.553 6.043 1.00 0.00 N ATOM 1774 CA LYS B 54 -14.903 -16.936 6.528 1.00 0.00 C ATOM 1775 C LYS B 54 -15.282 -17.841 5.352 1.00 0.00 C ATOM 1776 O LYS B 54 -15.781 -18.927 5.602 1.00 0.00 O ATOM 1777 CB LYS B 54 -16.083 -16.780 7.490 1.00 0.00 C ATOM 1778 CG LYS B 54 -15.861 -17.655 8.729 1.00 0.00 C ATOM 1779 CD LYS B 54 -14.952 -16.921 9.725 1.00 0.00 C ATOM 1780 CE LYS B 54 -15.503 -17.078 11.149 1.00 0.00 C ATOM 1781 NZ LYS B 54 -14.571 -18.022 11.828 1.00 0.00 N ATOM 1782 OXT LYS B 54 -15.066 -17.434 4.223 1.00 0.00 O ATOM 0 H LYS B 54 -15.378 -14.890 6.136 1.00 0.00 H new ATOM 0 HA LYS B 54 -14.041 -17.393 7.014 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -16.188 -15.736 7.785 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -17.010 -17.066 6.993 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -16.817 -17.888 9.198 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -15.409 -18.604 8.440 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -13.940 -17.322 9.671 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -14.890 -15.865 9.464 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -15.537 -16.119 11.666 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -16.520 -17.470 11.136 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -14.886 -18.177 12.807 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -14.564 -18.929 11.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -13.612 -17.620 11.832 1.00 0.00 H new TER 1796 LYS B 54