USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 SER OG : rot -69:sc= 0.243 USER MOD Set 1.2: A 13 HIS : no HE2:sc= -2.5! C(o=-2.3!,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.0848 (180deg=-0.125) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -0.0752 (180deg=-0.369) USER MOD Single : A 14 ASN : amide:sc= -1.67 K(o=-1.7,f=-10!) USER MOD Single : A 16 HIS : no HD1:sc= -6.43! C(o=-6.4!,f=-6.9!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 64:sc= 0.277 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -100:sc= 0.288 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00421 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0971) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.073) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.05 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0487 USER MOD Single : A 76 GLN : amide:sc= -0.552 X(o=-0.55,f=-0.081) USER MOD Single : A 82 GLN : amide:sc= -0.11 K(o=-0.11,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.413 8.938 -8.274 1.00 0.00 N ATOM 2 CA MET A 1 -9.399 9.952 -7.864 1.00 0.00 C ATOM 3 C MET A 1 -8.387 9.337 -6.891 1.00 0.00 C ATOM 4 O MET A 1 -7.353 9.912 -6.612 1.00 0.00 O ATOM 5 CB MET A 1 -10.201 11.056 -7.175 1.00 0.00 C ATOM 6 CG MET A 1 -10.201 12.308 -8.054 1.00 0.00 C ATOM 7 SD MET A 1 -10.411 13.775 -7.013 1.00 0.00 S ATOM 8 CE MET A 1 -11.200 14.824 -8.258 1.00 0.00 C ATOM 0 H1 MET A 1 -11.050 9.352 -8.984 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.932 8.110 -8.680 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.965 8.644 -7.443 1.00 0.00 H new ATOM 0 HA MET A 1 -8.829 10.328 -8.713 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.223 10.722 -6.999 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.767 11.282 -6.201 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.266 12.375 -8.611 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.005 12.251 -8.787 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.422 15.799 -7.824 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.528 14.949 -9.107 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.126 14.357 -8.594 1.00 0.00 H new ATOM 20 N VAL A 2 -8.674 8.177 -6.368 1.00 0.00 N ATOM 21 CA VAL A 2 -7.729 7.534 -5.414 1.00 0.00 C ATOM 22 C VAL A 2 -6.633 6.780 -6.173 1.00 0.00 C ATOM 23 O VAL A 2 -6.893 6.098 -7.144 1.00 0.00 O ATOM 24 CB VAL A 2 -8.589 6.564 -4.607 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.715 5.833 -3.590 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.683 7.341 -3.873 1.00 0.00 C ATOM 0 H VAL A 2 -9.524 7.646 -6.561 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.225 8.262 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.047 5.839 -5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.329 5.141 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.935 5.279 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.256 6.557 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.297 6.649 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.225 8.066 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.308 7.863 -4.598 1.00 0.00 H new ATOM 36 N LYS A 3 -5.410 6.899 -5.738 1.00 0.00 N ATOM 37 CA LYS A 3 -4.294 6.188 -6.427 1.00 0.00 C ATOM 38 C LYS A 3 -3.307 5.642 -5.391 1.00 0.00 C ATOM 39 O LYS A 3 -2.841 6.362 -4.531 1.00 0.00 O ATOM 40 CB LYS A 3 -3.629 7.253 -7.303 1.00 0.00 C ATOM 41 CG LYS A 3 -2.358 6.683 -7.938 1.00 0.00 C ATOM 42 CD LYS A 3 -2.536 6.596 -9.456 1.00 0.00 C ATOM 43 CE LYS A 3 -1.559 5.566 -10.028 1.00 0.00 C ATOM 44 NZ LYS A 3 -0.500 6.371 -10.696 1.00 0.00 N ATOM 0 H LYS A 3 -5.133 7.460 -4.932 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.639 5.338 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.319 7.581 -8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.385 8.130 -6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.504 7.316 -7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.147 5.695 -7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.561 6.313 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.359 7.571 -9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.141 4.939 -9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.055 4.901 -10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.208 5.734 -11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.927 6.953 -11.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.041 6.989 -9.997 1.00 0.00 H new ATOM 58 N ILE A 4 -2.977 4.382 -5.465 1.00 0.00 N ATOM 59 CA ILE A 4 -2.018 3.815 -4.482 1.00 0.00 C ATOM 60 C ILE A 4 -0.622 3.726 -5.107 1.00 0.00 C ATOM 61 O ILE A 4 -0.445 3.204 -6.190 1.00 0.00 O ATOM 62 CB ILE A 4 -2.573 2.438 -4.121 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.828 2.618 -3.264 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.530 1.637 -3.332 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.509 1.266 -3.056 1.00 0.00 C ATOM 0 H ILE A 4 -3.329 3.725 -6.161 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.914 4.433 -3.590 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.816 1.896 -5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.563 3.054 -2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.515 3.311 -3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.937 0.658 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.633 1.512 -3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.278 2.171 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.402 1.399 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.789 0.847 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.822 0.586 -2.552 1.00 0.00 H new ATOM 77 N ARG A 5 0.371 4.242 -4.434 1.00 0.00 N ATOM 78 CA ARG A 5 1.748 4.195 -4.991 1.00 0.00 C ATOM 79 C ARG A 5 2.778 4.167 -3.862 1.00 0.00 C ATOM 80 O ARG A 5 2.436 4.080 -2.702 1.00 0.00 O ATOM 81 CB ARG A 5 1.888 5.469 -5.826 1.00 0.00 C ATOM 82 CG ARG A 5 1.773 6.696 -4.919 1.00 0.00 C ATOM 83 CD ARG A 5 1.392 7.918 -5.759 1.00 0.00 C ATOM 84 NE ARG A 5 2.692 8.533 -6.155 1.00 0.00 N ATOM 85 CZ ARG A 5 2.744 9.450 -7.094 1.00 0.00 C ATOM 86 NH1 ARG A 5 1.659 9.842 -7.714 1.00 0.00 N ATOM 87 NH2 ARG A 5 3.894 9.979 -7.412 1.00 0.00 N ATOM 0 H ARG A 5 0.286 4.693 -3.523 1.00 0.00 H new ATOM 0 HA ARG A 5 1.918 3.301 -5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.849 5.474 -6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.115 5.499 -6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.022 6.523 -4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.719 6.874 -4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.809 7.630 -6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.783 8.617 -5.186 1.00 0.00 H new ATOM 0 HE ARG A 5 3.551 8.238 -5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.757 9.434 -7.470 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.716 10.555 -8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.743 9.680 -6.933 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.944 10.692 -8.140 1.00 0.00 H new ATOM 101 N LEU A 6 4.037 4.248 -4.192 1.00 0.00 N ATOM 102 CA LEU A 6 5.087 4.221 -3.132 1.00 0.00 C ATOM 103 C LEU A 6 5.381 5.639 -2.631 1.00 0.00 C ATOM 104 O LEU A 6 5.664 6.534 -3.403 1.00 0.00 O ATOM 105 CB LEU A 6 6.319 3.629 -3.818 1.00 0.00 C ATOM 106 CG LEU A 6 6.108 2.130 -4.039 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.267 1.913 -5.298 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.465 1.443 -4.208 1.00 0.00 C ATOM 0 H LEU A 6 4.385 4.332 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 6 4.780 3.640 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.492 4.127 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.205 3.796 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 6 5.590 1.706 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.117 0.845 -5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.300 2.402 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.784 2.337 -6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.315 0.375 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.983 1.867 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.065 1.597 -3.311 1.00 0.00 H new ATOM 120 N ALA A 7 5.296 5.851 -1.343 1.00 0.00 N ATOM 121 CA ALA A 7 5.547 7.213 -0.785 1.00 0.00 C ATOM 122 C ALA A 7 6.964 7.332 -0.223 1.00 0.00 C ATOM 123 O ALA A 7 7.251 6.854 0.851 1.00 0.00 O ATOM 124 CB ALA A 7 4.536 7.339 0.346 1.00 0.00 C ATOM 0 H ALA A 7 5.063 5.138 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 7 5.450 7.988 -1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.642 8.314 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.527 7.239 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.714 6.555 1.082 1.00 0.00 H new ATOM 130 N ARG A 8 7.845 7.980 -0.935 1.00 0.00 N ATOM 131 CA ARG A 8 9.243 8.135 -0.441 1.00 0.00 C ATOM 132 C ARG A 8 9.308 9.109 0.740 1.00 0.00 C ATOM 133 O ARG A 8 8.968 10.270 0.619 1.00 0.00 O ATOM 134 CB ARG A 8 10.017 8.707 -1.626 1.00 0.00 C ATOM 135 CG ARG A 8 11.516 8.478 -1.413 1.00 0.00 C ATOM 136 CD ARG A 8 12.189 9.797 -1.026 1.00 0.00 C ATOM 137 NE ARG A 8 13.582 9.678 -1.548 1.00 0.00 N ATOM 138 CZ ARG A 8 14.362 10.729 -1.633 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.944 11.911 -1.254 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.573 10.595 -2.100 1.00 0.00 N ATOM 0 H ARG A 8 7.656 8.410 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 8 9.649 7.187 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.693 8.230 -2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.812 9.773 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.673 7.735 -0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.966 8.082 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.672 10.650 -1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.182 9.943 0.054 1.00 0.00 H new ATOM 0 HE ARG A 8 13.932 8.767 -1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.999 12.024 -0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.563 12.718 -1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.907 9.678 -2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.186 11.408 -2.169 1.00 0.00 H new ATOM 154 N PHE A 9 9.758 8.650 1.878 1.00 0.00 N ATOM 155 CA PHE A 9 9.862 9.559 3.063 1.00 0.00 C ATOM 156 C PHE A 9 11.327 9.869 3.369 1.00 0.00 C ATOM 157 O PHE A 9 11.763 11.003 3.320 1.00 0.00 O ATOM 158 CB PHE A 9 9.281 8.789 4.248 1.00 0.00 C ATOM 159 CG PHE A 9 7.977 8.139 3.888 1.00 0.00 C ATOM 160 CD1 PHE A 9 6.805 8.898 3.821 1.00 0.00 C ATOM 161 CD2 PHE A 9 7.938 6.764 3.654 1.00 0.00 C ATOM 162 CE1 PHE A 9 5.598 8.277 3.516 1.00 0.00 C ATOM 163 CE2 PHE A 9 6.730 6.144 3.359 1.00 0.00 C ATOM 164 CZ PHE A 9 5.564 6.900 3.289 1.00 0.00 C ATOM 0 H PHE A 9 10.058 7.689 2.040 1.00 0.00 H new ATOM 0 HA PHE A 9 9.337 10.495 2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 9 9.991 8.029 4.574 1.00 0.00 H new ATOM 0 HB3 PHE A 9 9.132 9.468 5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.836 9.962 4.005 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.846 6.182 3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.690 8.859 3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.696 5.079 3.185 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.626 6.418 3.057 1.00 0.00 H new ATOM 174 N GLY A 10 12.081 8.859 3.711 1.00 0.00 N ATOM 175 CA GLY A 10 13.515 9.057 4.058 1.00 0.00 C ATOM 176 C GLY A 10 14.207 9.953 3.024 1.00 0.00 C ATOM 177 O GLY A 10 14.563 9.515 1.948 1.00 0.00 O ATOM 0 H GLY A 10 11.758 7.893 3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.596 9.507 5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.019 8.092 4.105 1.00 0.00 H new ATOM 181 N SER A 11 14.409 11.204 3.347 1.00 0.00 N ATOM 182 CA SER A 11 15.090 12.124 2.386 1.00 0.00 C ATOM 183 C SER A 11 16.496 11.610 2.082 1.00 0.00 C ATOM 184 O SER A 11 17.008 11.763 0.991 1.00 0.00 O ATOM 185 CB SER A 11 15.167 13.471 3.108 1.00 0.00 C ATOM 186 OG SER A 11 16.231 13.444 4.047 1.00 0.00 O ATOM 0 H SER A 11 14.133 11.628 4.232 1.00 0.00 H new ATOM 0 HA SER A 11 14.557 12.198 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.324 14.274 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.225 13.678 3.616 1.00 0.00 H new ATOM 0 HG SER A 11 16.006 12.833 4.779 1.00 0.00 H new ATOM 192 N LYS A 12 17.125 11.007 3.050 1.00 0.00 N ATOM 193 CA LYS A 12 18.502 10.480 2.844 1.00 0.00 C ATOM 194 C LYS A 12 18.963 9.757 4.107 1.00 0.00 C ATOM 195 O LYS A 12 20.065 9.948 4.582 1.00 0.00 O ATOM 196 CB LYS A 12 19.365 11.714 2.587 1.00 0.00 C ATOM 197 CG LYS A 12 19.209 12.707 3.741 1.00 0.00 C ATOM 198 CD LYS A 12 19.027 14.122 3.183 1.00 0.00 C ATOM 199 CE LYS A 12 20.351 14.611 2.592 1.00 0.00 C ATOM 200 NZ LYS A 12 20.120 14.672 1.121 1.00 0.00 N ATOM 0 H LYS A 12 16.741 10.855 3.983 1.00 0.00 H new ATOM 0 HA LYS A 12 18.562 9.769 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.410 11.423 2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.072 12.185 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.350 12.434 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.087 12.670 4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.251 14.126 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.698 14.797 3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.623 15.589 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.167 13.930 2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 20.805 15.325 0.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.239 13.724 0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.154 15.010 0.935 1.00 0.00 H new ATOM 214 N HIS A 13 18.116 8.939 4.661 1.00 0.00 N ATOM 215 CA HIS A 13 18.486 8.206 5.908 1.00 0.00 C ATOM 216 C HIS A 13 18.258 6.710 5.689 1.00 0.00 C ATOM 217 O HIS A 13 19.141 5.895 5.871 1.00 0.00 O ATOM 218 CB HIS A 13 17.546 8.732 7.011 1.00 0.00 C ATOM 219 CG HIS A 13 17.218 10.183 6.768 1.00 0.00 C ATOM 220 ND1 HIS A 13 18.131 11.195 6.999 1.00 0.00 N ATOM 221 CD2 HIS A 13 16.099 10.794 6.265 1.00 0.00 C ATOM 222 CE1 HIS A 13 17.551 12.351 6.632 1.00 0.00 C ATOM 223 NE2 HIS A 13 16.311 12.163 6.183 1.00 0.00 N ATOM 0 H HIS A 13 17.180 8.744 4.306 1.00 0.00 H new ATOM 0 HA HIS A 13 19.530 8.358 6.181 1.00 0.00 H new ATOM 0 HB2 HIS A 13 16.629 8.143 7.029 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.018 8.617 7.987 1.00 0.00 H new ATOM 0 HD1 HIS A 13 19.072 11.085 7.378 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.190 10.287 5.976 1.00 0.00 H new ATOM 0 HE1 HIS A 13 18.032 13.316 6.694 1.00 0.00 H new ATOM 231 N ASN A 14 17.070 6.355 5.284 1.00 0.00 N ATOM 232 CA ASN A 14 16.746 4.925 5.025 1.00 0.00 C ATOM 233 C ASN A 14 15.742 4.845 3.869 1.00 0.00 C ATOM 234 O ASN A 14 14.704 5.476 3.918 1.00 0.00 O ATOM 235 CB ASN A 14 16.118 4.415 6.322 1.00 0.00 C ATOM 236 CG ASN A 14 15.866 2.909 6.213 1.00 0.00 C ATOM 237 OD1 ASN A 14 16.016 2.330 5.154 1.00 0.00 O ATOM 238 ND2 ASN A 14 15.487 2.244 7.271 1.00 0.00 N ATOM 0 H ASN A 14 16.300 7.004 5.120 1.00 0.00 H new ATOM 0 HA ASN A 14 17.619 4.334 4.749 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.778 4.623 7.164 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.181 4.938 6.514 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.317 1.240 7.209 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.361 2.728 8.160 1.00 0.00 H new ATOM 245 N PRO A 15 16.081 4.094 2.851 1.00 0.00 N ATOM 246 CA PRO A 15 15.184 3.973 1.678 1.00 0.00 C ATOM 247 C PRO A 15 13.945 3.139 2.014 1.00 0.00 C ATOM 248 O PRO A 15 14.040 1.993 2.406 1.00 0.00 O ATOM 249 CB PRO A 15 16.046 3.265 0.636 1.00 0.00 C ATOM 250 CG PRO A 15 17.067 2.515 1.426 1.00 0.00 C ATOM 251 CD PRO A 15 17.307 3.299 2.690 1.00 0.00 C ATOM 0 HA PRO A 15 14.809 4.938 1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.449 2.591 0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.516 3.980 -0.039 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.714 1.510 1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 15 17.991 2.406 0.858 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.471 2.641 3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.188 3.936 2.604 1.00 0.00 H new ATOM 259 N HIS A 16 12.783 3.707 1.843 1.00 0.00 N ATOM 260 CA HIS A 16 11.524 2.960 2.124 1.00 0.00 C ATOM 261 C HIS A 16 10.320 3.818 1.757 1.00 0.00 C ATOM 262 O HIS A 16 10.220 4.967 2.135 1.00 0.00 O ATOM 263 CB HIS A 16 11.522 2.650 3.627 1.00 0.00 C ATOM 264 CG HIS A 16 11.455 3.923 4.429 1.00 0.00 C ATOM 265 ND1 HIS A 16 10.280 4.661 4.587 1.00 0.00 N ATOM 266 CD2 HIS A 16 12.420 4.601 5.130 1.00 0.00 C ATOM 267 CE1 HIS A 16 10.586 5.729 5.356 1.00 0.00 C ATOM 268 NE2 HIS A 16 11.872 5.736 5.711 1.00 0.00 N ATOM 0 H HIS A 16 12.651 4.665 1.518 1.00 0.00 H new ATOM 0 HA HIS A 16 11.468 2.042 1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.671 2.014 3.872 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.422 2.094 3.891 1.00 0.00 H new ATOM 0 HD2 HIS A 16 13.453 4.297 5.217 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.874 6.487 5.648 1.00 0.00 H new ATOM 0 HE2 HIS A 16 12.351 6.428 6.287 1.00 0.00 H new ATOM 276 N TYR A 17 9.402 3.266 1.029 1.00 0.00 N ATOM 277 CA TYR A 17 8.203 4.032 0.657 1.00 0.00 C ATOM 278 C TYR A 17 6.989 3.279 1.150 1.00 0.00 C ATOM 279 O TYR A 17 7.025 2.072 1.277 1.00 0.00 O ATOM 280 CB TYR A 17 8.141 4.037 -0.866 1.00 0.00 C ATOM 281 CG TYR A 17 9.455 4.409 -1.495 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.540 3.530 -1.437 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.572 5.624 -2.172 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.743 3.868 -2.053 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.776 5.966 -2.787 1.00 0.00 C ATOM 286 CZ TYR A 17 11.866 5.088 -2.730 1.00 0.00 C ATOM 287 OH TYR A 17 13.058 5.425 -3.343 1.00 0.00 O ATOM 0 H TYR A 17 9.435 2.310 0.675 1.00 0.00 H new ATOM 0 HA TYR A 17 8.231 5.039 1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.840 3.050 -1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.374 4.739 -1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.446 2.589 -0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.730 6.299 -2.220 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.581 3.189 -2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.868 6.908 -3.307 1.00 0.00 H new ATOM 0 HH TYR A 17 12.971 6.304 -3.767 1.00 0.00 H new ATOM 297 N ARG A 18 5.901 3.942 1.370 1.00 0.00 N ATOM 298 CA ARG A 18 4.697 3.182 1.776 1.00 0.00 C ATOM 299 C ARG A 18 3.820 3.025 0.559 1.00 0.00 C ATOM 300 O ARG A 18 3.884 3.808 -0.368 1.00 0.00 O ATOM 301 CB ARG A 18 3.969 3.989 2.841 1.00 0.00 C ATOM 302 CG ARG A 18 4.755 3.930 4.149 1.00 0.00 C ATOM 303 CD ARG A 18 3.974 3.110 5.179 1.00 0.00 C ATOM 304 NE ARG A 18 4.500 3.548 6.504 1.00 0.00 N ATOM 305 CZ ARG A 18 4.026 3.039 7.617 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.072 2.141 7.595 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.510 3.436 8.763 1.00 0.00 N ATOM 0 H ARG A 18 5.790 4.953 1.290 1.00 0.00 H new ATOM 0 HA ARG A 18 4.955 2.201 2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.859 5.024 2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.964 3.593 2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.733 3.481 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.929 4.938 4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.903 3.295 5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.125 2.041 5.029 1.00 0.00 H new ATOM 0 HE ARG A 18 5.237 4.252 6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.687 1.828 6.704 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.715 1.755 8.469 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.251 4.137 8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.147 3.045 9.633 1.00 0.00 H new ATOM 321 N ILE A 19 2.963 2.071 0.575 1.00 0.00 N ATOM 322 CA ILE A 19 2.038 1.913 -0.558 1.00 0.00 C ATOM 323 C ILE A 19 0.780 2.568 -0.040 1.00 0.00 C ATOM 324 O ILE A 19 -0.117 1.941 0.488 1.00 0.00 O ATOM 325 CB ILE A 19 1.879 0.410 -0.829 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.100 -0.392 -0.346 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.761 0.184 -2.331 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.859 -1.882 -0.585 1.00 0.00 C ATOM 0 H ILE A 19 2.859 1.388 1.325 1.00 0.00 H new ATOM 0 HA ILE A 19 2.349 2.355 -1.504 1.00 0.00 H new ATOM 0 HB ILE A 19 0.991 0.075 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.995 -0.068 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.274 -0.206 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.648 -0.882 -2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.891 0.719 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.659 0.553 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.724 -2.450 -0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.974 -2.201 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.706 -2.060 -1.650 1.00 0.00 H new ATOM 340 N VAL A 20 0.797 3.867 -0.080 1.00 0.00 N ATOM 341 CA VAL A 20 -0.289 4.662 0.517 1.00 0.00 C ATOM 342 C VAL A 20 -1.318 5.090 -0.529 1.00 0.00 C ATOM 343 O VAL A 20 -1.096 5.007 -1.719 1.00 0.00 O ATOM 344 CB VAL A 20 0.486 5.844 1.152 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.364 7.130 0.329 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.030 6.097 2.563 1.00 0.00 C ATOM 0 H VAL A 20 1.538 4.418 -0.513 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.894 4.123 1.246 1.00 0.00 H new ATOM 0 HB VAL A 20 1.540 5.565 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.924 7.928 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.766 6.962 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.685 7.416 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.517 6.929 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.092 6.341 2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.115 5.203 3.169 1.00 0.00 H new ATOM 356 N VAL A 21 -2.464 5.503 -0.070 1.00 0.00 N ATOM 357 CA VAL A 21 -3.556 5.893 -0.994 1.00 0.00 C ATOM 358 C VAL A 21 -3.761 7.409 -0.964 1.00 0.00 C ATOM 359 O VAL A 21 -4.193 7.967 0.023 1.00 0.00 O ATOM 360 CB VAL A 21 -4.819 5.176 -0.470 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.606 4.621 -1.652 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.467 4.008 0.459 1.00 0.00 C ATOM 0 H VAL A 21 -2.691 5.587 0.921 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.330 5.617 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.405 5.905 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.499 4.113 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.897 5.439 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.986 3.914 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.383 3.530 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.862 3.282 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.906 4.381 1.316 1.00 0.00 H new ATOM 372 N THR A 22 -3.462 8.076 -2.043 1.00 0.00 N ATOM 373 CA THR A 22 -3.649 9.555 -2.079 1.00 0.00 C ATOM 374 C THR A 22 -4.224 9.979 -3.428 1.00 0.00 C ATOM 375 O THR A 22 -4.493 9.161 -4.286 1.00 0.00 O ATOM 376 CB THR A 22 -2.251 10.160 -1.893 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.294 11.542 -2.215 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.244 9.464 -2.810 1.00 0.00 C ATOM 0 H THR A 22 -3.097 7.663 -2.901 1.00 0.00 H new ATOM 0 HA THR A 22 -4.340 9.890 -1.306 1.00 0.00 H new ATOM 0 HB THR A 22 -1.942 10.024 -0.857 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.887 12.006 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.257 9.904 -2.667 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.206 8.402 -2.569 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.550 9.590 -3.849 1.00 0.00 H new ATOM 386 N ASP A 23 -4.407 11.253 -3.624 1.00 0.00 N ATOM 387 CA ASP A 23 -4.960 11.732 -4.921 1.00 0.00 C ATOM 388 C ASP A 23 -3.897 11.615 -6.016 1.00 0.00 C ATOM 389 O ASP A 23 -2.790 11.174 -5.774 1.00 0.00 O ATOM 390 CB ASP A 23 -5.338 13.199 -4.686 1.00 0.00 C ATOM 391 CG ASP A 23 -4.127 13.974 -4.160 1.00 0.00 C ATOM 392 OD1 ASP A 23 -3.031 13.721 -4.632 1.00 0.00 O ATOM 393 OD2 ASP A 23 -4.318 14.812 -3.294 1.00 0.00 O ATOM 0 H ASP A 23 -4.198 11.984 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.820 11.146 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.690 13.646 -5.616 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.159 13.262 -3.971 1.00 0.00 H new ATOM 398 N ALA A 24 -4.221 12.004 -7.217 1.00 0.00 N ATOM 399 CA ALA A 24 -3.226 11.911 -8.323 1.00 0.00 C ATOM 400 C ALA A 24 -3.139 13.244 -9.068 1.00 0.00 C ATOM 401 O ALA A 24 -2.078 13.817 -9.217 1.00 0.00 O ATOM 402 CB ALA A 24 -3.762 10.816 -9.246 1.00 0.00 C ATOM 0 H ALA A 24 -5.131 12.382 -7.481 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.224 11.684 -7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.083 10.686 -10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.838 9.879 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.747 11.101 -9.614 1.00 0.00 H new ATOM 408 N ARG A 25 -4.249 13.740 -9.538 1.00 0.00 N ATOM 409 CA ARG A 25 -4.239 15.034 -10.275 1.00 0.00 C ATOM 410 C ARG A 25 -3.673 16.147 -9.390 1.00 0.00 C ATOM 411 O ARG A 25 -3.235 17.173 -9.870 1.00 0.00 O ATOM 412 CB ARG A 25 -5.705 15.302 -10.611 1.00 0.00 C ATOM 413 CG ARG A 25 -6.260 14.132 -11.427 1.00 0.00 C ATOM 414 CD ARG A 25 -6.336 14.531 -12.903 1.00 0.00 C ATOM 415 NE ARG A 25 -7.570 15.361 -13.014 1.00 0.00 N ATOM 416 CZ ARG A 25 -8.758 14.803 -13.004 1.00 0.00 C ATOM 417 NH1 ARG A 25 -8.892 13.504 -12.898 1.00 0.00 N ATOM 418 NH2 ARG A 25 -9.821 15.554 -13.100 1.00 0.00 N ATOM 0 H ARG A 25 -5.166 13.303 -9.443 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.615 14.999 -11.168 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.283 15.428 -9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.797 16.230 -11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.622 13.256 -11.308 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.250 13.857 -11.062 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.453 15.094 -13.206 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.391 13.653 -13.547 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.490 16.374 -13.099 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.066 12.911 -12.822 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.822 13.086 -12.892 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.725 16.566 -13.182 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.748 15.129 -13.093 1.00 0.00 H new ATOM 432 N ARG A 26 -3.678 15.953 -8.099 1.00 0.00 N ATOM 433 CA ARG A 26 -3.141 17.001 -7.184 1.00 0.00 C ATOM 434 C ARG A 26 -1.677 16.706 -6.848 1.00 0.00 C ATOM 435 O ARG A 26 -1.283 15.568 -6.694 1.00 0.00 O ATOM 436 CB ARG A 26 -4.011 16.909 -5.930 1.00 0.00 C ATOM 437 CG ARG A 26 -5.358 17.584 -6.193 1.00 0.00 C ATOM 438 CD ARG A 26 -5.597 18.678 -5.149 1.00 0.00 C ATOM 439 NE ARG A 26 -6.931 18.364 -4.557 1.00 0.00 N ATOM 440 CZ ARG A 26 -7.420 19.087 -3.578 1.00 0.00 C ATOM 441 NH1 ARG A 26 -6.752 20.104 -3.093 1.00 0.00 N ATOM 442 NH2 ARG A 26 -8.588 18.788 -3.079 1.00 0.00 N ATOM 0 H ARG A 26 -4.031 15.114 -7.638 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.169 17.996 -7.628 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.163 15.865 -5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.509 17.390 -5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.371 18.014 -7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.160 16.847 -6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.817 18.674 -4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.591 19.668 -5.606 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.469 17.577 -4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.838 20.343 -3.477 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.146 20.657 -2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.114 17.997 -3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.975 19.345 -2.318 1.00 0.00 H new ATOM 456 N LYS A 27 -0.868 17.724 -6.735 1.00 0.00 N ATOM 457 CA LYS A 27 0.571 17.498 -6.411 1.00 0.00 C ATOM 458 C LYS A 27 1.165 18.742 -5.744 1.00 0.00 C ATOM 459 O LYS A 27 2.360 18.963 -5.770 1.00 0.00 O ATOM 460 CB LYS A 27 1.245 17.237 -7.758 1.00 0.00 C ATOM 461 CG LYS A 27 1.956 15.882 -7.722 1.00 0.00 C ATOM 462 CD LYS A 27 3.469 16.098 -7.757 1.00 0.00 C ATOM 463 CE LYS A 27 4.037 15.968 -6.342 1.00 0.00 C ATOM 464 NZ LYS A 27 5.078 14.906 -6.442 1.00 0.00 N ATOM 0 H LYS A 27 -1.139 18.700 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 27 0.713 16.669 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.502 17.248 -8.556 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.961 18.029 -7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.677 15.337 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.645 15.274 -8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.936 15.366 -8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.697 17.084 -8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.466 16.910 -6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.260 15.694 -5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.514 14.759 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.640 14.019 -6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.807 15.198 -7.123 1.00 0.00 H new ATOM 478 N ARG A 28 0.340 19.556 -5.142 1.00 0.00 N ATOM 479 CA ARG A 28 0.858 20.784 -4.471 1.00 0.00 C ATOM 480 C ARG A 28 1.327 20.451 -3.051 1.00 0.00 C ATOM 481 O ARG A 28 2.116 21.164 -2.463 1.00 0.00 O ATOM 482 CB ARG A 28 -0.331 21.744 -4.434 1.00 0.00 C ATOM 483 CG ARG A 28 0.109 23.127 -4.918 1.00 0.00 C ATOM 484 CD ARG A 28 -0.245 23.288 -6.397 1.00 0.00 C ATOM 485 NE ARG A 28 -1.002 24.573 -6.476 1.00 0.00 N ATOM 486 CZ ARG A 28 -1.157 25.194 -7.622 1.00 0.00 C ATOM 487 NH1 ARG A 28 -0.644 24.708 -8.725 1.00 0.00 N ATOM 488 NH2 ARG A 28 -1.830 26.311 -7.662 1.00 0.00 N ATOM 0 H ARG A 28 -0.670 19.424 -5.086 1.00 0.00 H new ATOM 0 HA ARG A 28 1.712 21.214 -4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.136 21.366 -5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.725 21.811 -3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.381 23.903 -4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.183 23.249 -4.775 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.652 23.319 -7.016 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.848 22.452 -6.752 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.404 24.973 -5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.116 23.836 -8.701 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.773 25.202 -9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.231 26.696 -6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.955 26.800 -8.549 1.00 0.00 H new ATOM 502 N ASP A 29 0.844 19.372 -2.497 1.00 0.00 N ATOM 503 CA ASP A 29 1.260 18.989 -1.116 1.00 0.00 C ATOM 504 C ASP A 29 1.663 17.512 -1.079 1.00 0.00 C ATOM 505 O ASP A 29 2.816 17.177 -0.895 1.00 0.00 O ATOM 506 CB ASP A 29 0.022 19.230 -0.250 1.00 0.00 C ATOM 507 CG ASP A 29 -0.050 20.707 0.140 1.00 0.00 C ATOM 508 OD1 ASP A 29 0.392 21.529 -0.647 1.00 0.00 O ATOM 509 OD2 ASP A 29 -0.548 20.992 1.216 1.00 0.00 O ATOM 0 H ASP A 29 0.179 18.739 -2.941 1.00 0.00 H new ATOM 0 HA ASP A 29 2.119 19.562 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.877 18.943 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.065 18.609 0.645 1.00 0.00 H new ATOM 514 N GLY A 30 0.720 16.626 -1.256 1.00 0.00 N ATOM 515 CA GLY A 30 1.048 15.170 -1.233 1.00 0.00 C ATOM 516 C GLY A 30 0.427 14.522 0.006 1.00 0.00 C ATOM 517 O GLY A 30 1.118 14.000 0.858 1.00 0.00 O ATOM 0 H GLY A 30 -0.263 16.847 -1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.671 14.688 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.129 15.031 -1.225 1.00 0.00 H new ATOM 521 N LYS A 31 -0.874 14.550 0.114 1.00 0.00 N ATOM 522 CA LYS A 31 -1.538 13.935 1.301 1.00 0.00 C ATOM 523 C LYS A 31 -2.317 12.684 0.886 1.00 0.00 C ATOM 524 O LYS A 31 -2.915 12.639 -0.170 1.00 0.00 O ATOM 525 CB LYS A 31 -2.497 15.008 1.818 1.00 0.00 C ATOM 526 CG LYS A 31 -2.007 15.525 3.171 1.00 0.00 C ATOM 527 CD LYS A 31 -2.970 15.071 4.270 1.00 0.00 C ATOM 528 CE LYS A 31 -2.301 15.244 5.636 1.00 0.00 C ATOM 529 NZ LYS A 31 -2.937 16.456 6.222 1.00 0.00 N ATOM 0 H LYS A 31 -1.506 14.971 -0.567 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.818 13.626 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.559 15.829 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.501 14.596 1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.004 15.150 3.374 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.943 16.613 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.890 15.655 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.247 14.028 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.460 14.370 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.223 15.373 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.531 16.641 7.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.764 17.273 5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.961 16.301 6.312 1.00 0.00 H new ATOM 543 N TYR A 32 -2.323 11.671 1.709 1.00 0.00 N ATOM 544 CA TYR A 32 -3.074 10.428 1.352 1.00 0.00 C ATOM 545 C TYR A 32 -4.299 10.263 2.249 1.00 0.00 C ATOM 546 O TYR A 32 -4.458 10.947 3.239 1.00 0.00 O ATOM 547 CB TYR A 32 -2.105 9.255 1.563 1.00 0.00 C ATOM 548 CG TYR A 32 -1.418 9.375 2.905 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.032 8.867 4.055 1.00 0.00 C ATOM 550 CD2 TYR A 32 -0.166 9.994 2.995 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.392 8.978 5.297 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.473 10.105 4.236 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.141 9.598 5.386 1.00 0.00 C ATOM 554 OH TYR A 32 0.488 9.707 6.609 1.00 0.00 O ATOM 0 H TYR A 32 -1.844 11.647 2.609 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.428 10.471 0.322 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.648 8.312 1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.361 9.241 0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.998 8.390 3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.307 10.386 2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.864 8.585 6.185 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.440 10.582 4.305 1.00 0.00 H new ATOM 0 HH TYR A 32 1.348 10.162 6.495 1.00 0.00 H new ATOM 564 N ILE A 33 -5.160 9.352 1.903 1.00 0.00 N ATOM 565 CA ILE A 33 -6.380 9.122 2.720 1.00 0.00 C ATOM 566 C ILE A 33 -6.060 8.176 3.882 1.00 0.00 C ATOM 567 O ILE A 33 -6.668 8.236 4.933 1.00 0.00 O ATOM 568 CB ILE A 33 -7.371 8.484 1.751 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.692 9.476 0.630 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.656 8.126 2.491 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.017 9.024 -0.666 1.00 0.00 C ATOM 0 H ILE A 33 -5.071 8.752 1.083 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.775 10.036 3.163 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.933 7.579 1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.771 9.541 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.346 10.473 0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.361 7.671 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.430 7.422 3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.096 9.029 2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.247 9.732 -1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.938 8.982 -0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.384 8.036 -0.942 1.00 0.00 H new ATOM 583 N GLU A 34 -5.101 7.306 3.699 1.00 0.00 N ATOM 584 CA GLU A 34 -4.726 6.353 4.788 1.00 0.00 C ATOM 585 C GLU A 34 -3.565 5.466 4.330 1.00 0.00 C ATOM 586 O GLU A 34 -3.258 5.386 3.158 1.00 0.00 O ATOM 587 CB GLU A 34 -5.978 5.508 5.034 1.00 0.00 C ATOM 588 CG GLU A 34 -6.589 5.881 6.387 1.00 0.00 C ATOM 589 CD GLU A 34 -6.255 4.799 7.416 1.00 0.00 C ATOM 590 OE1 GLU A 34 -5.152 4.280 7.364 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.107 4.510 8.239 1.00 0.00 O ATOM 0 H GLU A 34 -4.559 7.214 2.840 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.402 6.868 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.703 5.674 4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.723 4.448 5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.202 6.845 6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.670 5.986 6.293 1.00 0.00 H new ATOM 598 N LYS A 35 -2.917 4.796 5.245 1.00 0.00 N ATOM 599 CA LYS A 35 -1.780 3.915 4.855 1.00 0.00 C ATOM 600 C LYS A 35 -2.245 2.458 4.780 1.00 0.00 C ATOM 601 O LYS A 35 -2.599 1.861 5.778 1.00 0.00 O ATOM 602 CB LYS A 35 -0.745 4.085 5.969 1.00 0.00 C ATOM 603 CG LYS A 35 -0.178 5.505 5.928 1.00 0.00 C ATOM 604 CD LYS A 35 -0.432 6.199 7.269 1.00 0.00 C ATOM 605 CE LYS A 35 0.876 6.794 7.796 1.00 0.00 C ATOM 606 NZ LYS A 35 1.491 5.709 8.612 1.00 0.00 N ATOM 0 H LYS A 35 -3.126 4.821 6.243 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.374 4.174 3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.204 3.894 6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.058 3.358 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.892 5.474 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.644 6.070 5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.178 6.985 7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.835 5.486 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.532 7.093 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.691 7.684 8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.393 6.041 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.847 5.450 9.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.662 4.877 8.011 1.00 0.00 H new ATOM 620 N ILE A 36 -2.248 1.877 3.608 1.00 0.00 N ATOM 621 CA ILE A 36 -2.692 0.452 3.498 1.00 0.00 C ATOM 622 C ILE A 36 -1.510 -0.457 3.221 1.00 0.00 C ATOM 623 O ILE A 36 -1.470 -1.586 3.675 1.00 0.00 O ATOM 624 CB ILE A 36 -3.704 0.403 2.352 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.051 0.833 1.030 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.867 1.338 2.675 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.358 -0.366 0.383 1.00 0.00 C ATOM 0 H ILE A 36 -1.967 2.319 2.733 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.141 0.104 4.428 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.064 -0.620 2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.806 1.237 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.328 1.628 1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.593 1.309 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.345 1.018 3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.494 2.355 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.896 -0.057 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.591 -0.750 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.092 -1.147 0.186 1.00 0.00 H new ATOM 639 N GLY A 37 -0.547 0.008 2.489 1.00 0.00 N ATOM 640 CA GLY A 37 0.616 -0.856 2.205 1.00 0.00 C ATOM 641 C GLY A 37 1.899 -0.190 2.682 1.00 0.00 C ATOM 642 O GLY A 37 1.951 1.001 2.919 1.00 0.00 O ATOM 0 H GLY A 37 -0.515 0.941 2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.492 -1.819 2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.677 -1.054 1.135 1.00 0.00 H new ATOM 646 N TYR A 38 2.944 -0.954 2.784 1.00 0.00 N ATOM 647 CA TYR A 38 4.263 -0.392 3.199 1.00 0.00 C ATOM 648 C TYR A 38 5.355 -1.042 2.350 1.00 0.00 C ATOM 649 O TYR A 38 5.280 -2.215 2.039 1.00 0.00 O ATOM 650 CB TYR A 38 4.429 -0.767 4.674 1.00 0.00 C ATOM 651 CG TYR A 38 5.813 -0.374 5.147 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.366 0.859 4.770 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.545 -1.243 5.966 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.646 1.218 5.211 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.826 -0.883 6.406 1.00 0.00 C ATOM 656 CZ TYR A 38 8.376 0.348 6.029 1.00 0.00 C ATOM 657 OH TYR A 38 9.637 0.701 6.462 1.00 0.00 O ATOM 0 H TYR A 38 2.945 -1.957 2.596 1.00 0.00 H new ATOM 0 HA TYR A 38 4.326 0.688 3.065 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.672 -0.263 5.275 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.280 -1.839 4.806 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.804 1.532 4.139 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.121 -2.192 6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.070 2.167 4.919 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.389 -1.555 7.036 1.00 0.00 H new ATOM 0 HH TYR A 38 10.310 0.256 5.906 1.00 0.00 H new ATOM 667 N TYR A 39 6.373 -0.313 1.969 1.00 0.00 N ATOM 668 CA TYR A 39 7.440 -0.949 1.144 1.00 0.00 C ATOM 669 C TYR A 39 8.828 -0.535 1.660 1.00 0.00 C ATOM 670 O TYR A 39 9.084 0.629 1.898 1.00 0.00 O ATOM 671 CB TYR A 39 7.238 -0.437 -0.285 1.00 0.00 C ATOM 672 CG TYR A 39 8.302 -1.044 -1.174 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.609 -0.546 -1.136 1.00 0.00 C ATOM 674 CD2 TYR A 39 7.984 -2.111 -2.023 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.600 -1.115 -1.946 1.00 0.00 C ATOM 676 CE2 TYR A 39 8.977 -2.678 -2.835 1.00 0.00 C ATOM 677 CZ TYR A 39 10.284 -2.179 -2.796 1.00 0.00 C ATOM 678 OH TYR A 39 11.262 -2.739 -3.593 1.00 0.00 O ATOM 0 H TYR A 39 6.510 0.674 2.188 1.00 0.00 H new ATOM 0 HA TYR A 39 7.382 -2.036 1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.245 -0.706 -0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.301 0.651 -0.309 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.854 0.278 -0.482 1.00 0.00 H new ATOM 0 HD2 TYR A 39 6.976 -2.497 -2.053 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.609 -0.731 -1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.733 -3.500 -3.491 1.00 0.00 H new ATOM 0 HH TYR A 39 10.875 -3.468 -4.122 1.00 0.00 H new ATOM 688 N ASP A 40 9.731 -1.467 1.827 1.00 0.00 N ATOM 689 CA ASP A 40 11.099 -1.104 2.317 1.00 0.00 C ATOM 690 C ASP A 40 12.167 -1.930 1.581 1.00 0.00 C ATOM 691 O ASP A 40 12.347 -3.093 1.872 1.00 0.00 O ATOM 692 CB ASP A 40 11.090 -1.448 3.808 1.00 0.00 C ATOM 693 CG ASP A 40 12.373 -0.929 4.460 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.438 -1.350 4.043 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.267 -0.117 5.366 1.00 0.00 O ATOM 0 H ASP A 40 9.583 -2.460 1.647 1.00 0.00 H new ATOM 0 HA ASP A 40 11.334 -0.054 2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.219 -1.003 4.289 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.012 -2.527 3.943 1.00 0.00 H new ATOM 700 N PRO A 41 12.841 -1.305 0.644 1.00 0.00 N ATOM 701 CA PRO A 41 13.885 -2.018 -0.139 1.00 0.00 C ATOM 702 C PRO A 41 15.143 -2.266 0.701 1.00 0.00 C ATOM 703 O PRO A 41 16.073 -2.910 0.255 1.00 0.00 O ATOM 704 CB PRO A 41 14.188 -1.063 -1.287 1.00 0.00 C ATOM 705 CG PRO A 41 13.813 0.291 -0.775 1.00 0.00 C ATOM 706 CD PRO A 41 12.708 0.096 0.230 1.00 0.00 C ATOM 0 HA PRO A 41 13.554 -3.001 -0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 41 15.241 -1.102 -1.565 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.614 -1.321 -2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.671 0.779 -0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.482 0.933 -1.591 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.816 0.773 1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.730 0.290 -0.211 1.00 0.00 H new ATOM 714 N ARG A 42 15.191 -1.767 1.906 1.00 0.00 N ATOM 715 CA ARG A 42 16.397 -1.986 2.747 1.00 0.00 C ATOM 716 C ARG A 42 16.248 -3.270 3.563 1.00 0.00 C ATOM 717 O ARG A 42 17.214 -3.819 4.054 1.00 0.00 O ATOM 718 CB ARG A 42 16.478 -0.772 3.671 1.00 0.00 C ATOM 719 CG ARG A 42 17.821 -0.069 3.469 1.00 0.00 C ATOM 720 CD ARG A 42 18.960 -1.028 3.825 1.00 0.00 C ATOM 721 NE ARG A 42 20.149 -0.151 4.025 1.00 0.00 N ATOM 722 CZ ARG A 42 21.312 -0.658 4.363 1.00 0.00 C ATOM 723 NH1 ARG A 42 21.463 -1.948 4.526 1.00 0.00 N ATOM 724 NH2 ARG A 42 22.332 0.137 4.538 1.00 0.00 N ATOM 0 H ARG A 42 14.449 -1.219 2.341 1.00 0.00 H new ATOM 0 HA ARG A 42 17.298 -2.093 2.144 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.659 -0.084 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.371 -1.084 4.710 1.00 0.00 H new ATOM 0 HG2 ARG A 42 17.919 0.260 2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 42 17.874 0.823 4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 42 18.731 -1.596 4.727 1.00 0.00 H new ATOM 0 HD3 ARG A 42 19.132 -1.751 3.028 1.00 0.00 H new ATOM 0 HE ARG A 42 20.058 0.857 3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 42 20.670 -2.575 4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 42 22.373 -2.326 4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 42 22.222 1.143 4.412 1.00 0.00 H new ATOM 0 HH22 ARG A 42 23.239 -0.248 4.801 1.00 0.00 H new ATOM 738 N LYS A 43 15.046 -3.761 3.712 1.00 0.00 N ATOM 739 CA LYS A 43 14.850 -5.015 4.496 1.00 0.00 C ATOM 740 C LYS A 43 15.787 -6.107 3.974 1.00 0.00 C ATOM 741 O LYS A 43 15.780 -6.438 2.805 1.00 0.00 O ATOM 742 CB LYS A 43 13.391 -5.409 4.269 1.00 0.00 C ATOM 743 CG LYS A 43 12.613 -5.263 5.579 1.00 0.00 C ATOM 744 CD LYS A 43 12.805 -6.522 6.429 1.00 0.00 C ATOM 745 CE LYS A 43 12.236 -6.288 7.831 1.00 0.00 C ATOM 746 NZ LYS A 43 13.396 -5.827 8.644 1.00 0.00 N ATOM 0 H LYS A 43 14.196 -3.350 3.327 1.00 0.00 H new ATOM 0 HA LYS A 43 15.070 -4.879 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.948 -4.778 3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.332 -6.437 3.911 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.960 -4.386 6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.554 -5.110 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.305 -7.369 5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.864 -6.772 6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.443 -5.541 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.805 -7.202 8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.086 -5.645 9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.132 -6.561 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.781 -4.952 8.235 1.00 0.00 H new ATOM 760 N THR A 44 16.596 -6.663 4.831 1.00 0.00 N ATOM 761 CA THR A 44 17.538 -7.727 4.385 1.00 0.00 C ATOM 762 C THR A 44 16.900 -9.111 4.546 1.00 0.00 C ATOM 763 O THR A 44 17.579 -10.102 4.733 1.00 0.00 O ATOM 764 CB THR A 44 18.753 -7.575 5.298 1.00 0.00 C ATOM 765 OG1 THR A 44 18.361 -7.800 6.645 1.00 0.00 O ATOM 766 CG2 THR A 44 19.318 -6.160 5.156 1.00 0.00 C ATOM 0 H THR A 44 16.646 -6.427 5.822 1.00 0.00 H new ATOM 0 HA THR A 44 17.804 -7.633 3.332 1.00 0.00 H new ATOM 0 HB THR A 44 19.517 -8.300 5.018 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.140 -7.705 7.233 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.186 -6.048 5.806 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.615 -5.989 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.556 -5.434 5.439 1.00 0.00 H new ATOM 774 N THR A 45 15.600 -9.185 4.467 1.00 0.00 N ATOM 775 CA THR A 45 14.913 -10.500 4.608 1.00 0.00 C ATOM 776 C THR A 45 13.746 -10.585 3.618 1.00 0.00 C ATOM 777 O THR A 45 13.308 -9.580 3.096 1.00 0.00 O ATOM 778 CB THR A 45 14.394 -10.533 6.047 1.00 0.00 C ATOM 779 OG1 THR A 45 14.081 -9.212 6.470 1.00 0.00 O ATOM 780 CG2 THR A 45 15.461 -11.126 6.966 1.00 0.00 C ATOM 0 H THR A 45 14.982 -8.389 4.310 1.00 0.00 H new ATOM 0 HA THR A 45 15.578 -11.338 4.400 1.00 0.00 H new ATOM 0 HB THR A 45 13.497 -11.150 6.093 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.747 -9.234 7.391 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.088 -11.148 7.990 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.696 -12.140 6.644 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.361 -10.513 6.921 1.00 0.00 H new ATOM 788 N PRO A 46 13.274 -11.784 3.391 1.00 0.00 N ATOM 789 CA PRO A 46 12.141 -11.984 2.453 1.00 0.00 C ATOM 790 C PRO A 46 10.846 -11.442 3.062 1.00 0.00 C ATOM 791 O PRO A 46 9.916 -12.178 3.325 1.00 0.00 O ATOM 792 CB PRO A 46 12.072 -13.500 2.289 1.00 0.00 C ATOM 793 CG PRO A 46 12.697 -14.049 3.532 1.00 0.00 C ATOM 794 CD PRO A 46 13.736 -13.052 3.975 1.00 0.00 C ATOM 0 HA PRO A 46 12.273 -11.465 1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.042 -13.839 2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 46 12.610 -13.826 1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.947 -14.196 4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.151 -15.021 3.339 1.00 0.00 H new ATOM 0 HD2 PRO A 46 13.797 -12.994 5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.729 -13.321 3.614 1.00 0.00 H new ATOM 802 N ASP A 47 10.781 -10.159 3.290 1.00 0.00 N ATOM 803 CA ASP A 47 9.549 -9.569 3.883 1.00 0.00 C ATOM 804 C ASP A 47 9.586 -8.045 3.768 1.00 0.00 C ATOM 805 O ASP A 47 9.159 -7.335 4.658 1.00 0.00 O ATOM 806 CB ASP A 47 9.575 -9.996 5.351 1.00 0.00 C ATOM 807 CG ASP A 47 8.722 -11.253 5.532 1.00 0.00 C ATOM 808 OD1 ASP A 47 7.671 -11.325 4.917 1.00 0.00 O ATOM 809 OD2 ASP A 47 9.136 -12.123 6.280 1.00 0.00 O ATOM 0 H ASP A 47 11.528 -9.494 3.091 1.00 0.00 H new ATOM 0 HA ASP A 47 8.644 -9.904 3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.600 -10.191 5.666 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.195 -9.192 5.981 1.00 0.00 H new ATOM 814 N TRP A 48 10.094 -7.533 2.681 1.00 0.00 N ATOM 815 CA TRP A 48 10.153 -6.050 2.519 1.00 0.00 C ATOM 816 C TRP A 48 8.785 -5.494 2.103 1.00 0.00 C ATOM 817 O TRP A 48 8.631 -4.305 1.900 1.00 0.00 O ATOM 818 CB TRP A 48 11.199 -5.785 1.427 1.00 0.00 C ATOM 819 CG TRP A 48 10.890 -6.585 0.202 1.00 0.00 C ATOM 820 CD1 TRP A 48 11.535 -7.710 -0.175 1.00 0.00 C ATOM 821 CD2 TRP A 48 9.882 -6.333 -0.816 1.00 0.00 C ATOM 822 NE1 TRP A 48 10.980 -8.173 -1.353 1.00 0.00 N ATOM 823 CE2 TRP A 48 9.956 -7.357 -1.789 1.00 0.00 C ATOM 824 CE3 TRP A 48 8.919 -5.327 -0.983 1.00 0.00 C ATOM 825 CZ2 TRP A 48 9.100 -7.382 -2.889 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.058 -5.348 -2.088 1.00 0.00 C ATOM 827 CH2 TRP A 48 8.147 -6.373 -3.041 1.00 0.00 C ATOM 0 H TRP A 48 10.469 -8.073 1.901 1.00 0.00 H new ATOM 0 HA TRP A 48 10.421 -5.559 3.455 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.216 -4.723 1.181 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.192 -6.042 1.796 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.352 -8.173 0.358 1.00 0.00 H new ATOM 0 HE1 TRP A 48 11.289 -9.014 -1.840 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.841 -4.532 -0.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 9.173 -8.176 -3.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.320 -4.569 -2.207 1.00 0.00 H new ATOM 0 HH2 TRP A 48 7.480 -6.382 -3.890 1.00 0.00 H new ATOM 838 N LEU A 49 7.789 -6.332 1.979 1.00 0.00 N ATOM 839 CA LEU A 49 6.443 -5.825 1.579 1.00 0.00 C ATOM 840 C LEU A 49 5.411 -6.131 2.664 1.00 0.00 C ATOM 841 O LEU A 49 5.061 -7.270 2.900 1.00 0.00 O ATOM 842 CB LEU A 49 6.093 -6.576 0.293 1.00 0.00 C ATOM 843 CG LEU A 49 4.926 -5.884 -0.435 1.00 0.00 C ATOM 844 CD1 LEU A 49 3.632 -6.062 0.362 1.00 0.00 C ATOM 845 CD2 LEU A 49 5.217 -4.388 -0.609 1.00 0.00 C ATOM 0 H LEU A 49 7.848 -7.338 2.136 1.00 0.00 H new ATOM 0 HA LEU A 49 6.446 -4.745 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.964 -6.616 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.823 -7.606 0.528 1.00 0.00 H new ATOM 0 HG LEU A 49 4.812 -6.341 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.812 -5.569 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.411 -7.124 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.750 -5.619 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.383 -3.913 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.348 -3.927 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.127 -4.260 -1.195 1.00 0.00 H new ATOM 857 N LYS A 50 4.908 -5.120 3.310 1.00 0.00 N ATOM 858 CA LYS A 50 3.880 -5.349 4.364 1.00 0.00 C ATOM 859 C LYS A 50 2.604 -4.596 3.990 1.00 0.00 C ATOM 860 O LYS A 50 2.535 -3.388 4.108 1.00 0.00 O ATOM 861 CB LYS A 50 4.489 -4.778 5.643 1.00 0.00 C ATOM 862 CG LYS A 50 3.856 -5.460 6.857 1.00 0.00 C ATOM 863 CD LYS A 50 4.912 -6.293 7.586 1.00 0.00 C ATOM 864 CE LYS A 50 5.357 -5.559 8.853 1.00 0.00 C ATOM 865 NZ LYS A 50 6.270 -4.483 8.374 1.00 0.00 N ATOM 0 H LYS A 50 5.163 -4.144 3.155 1.00 0.00 H new ATOM 0 HA LYS A 50 3.619 -6.401 4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.568 -4.934 5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.322 -3.702 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.440 -4.712 7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.031 -6.097 6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.505 -7.271 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.768 -6.466 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.504 -5.143 9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.868 -6.233 9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.696 -4.000 9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.021 -4.900 7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.731 -3.796 7.809 1.00 0.00 H new ATOM 879 N VAL A 51 1.595 -5.285 3.521 1.00 0.00 N ATOM 880 CA VAL A 51 0.349 -4.572 3.129 1.00 0.00 C ATOM 881 C VAL A 51 -0.880 -5.214 3.761 1.00 0.00 C ATOM 882 O VAL A 51 -1.041 -6.418 3.768 1.00 0.00 O ATOM 883 CB VAL A 51 0.289 -4.681 1.587 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.163 -4.723 1.074 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.961 -3.467 0.968 1.00 0.00 C ATOM 0 H VAL A 51 1.582 -6.297 3.395 1.00 0.00 H new ATOM 0 HA VAL A 51 0.358 -3.536 3.469 1.00 0.00 H new ATOM 0 HB VAL A 51 0.795 -5.605 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.163 -4.800 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.674 -5.587 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.681 -3.812 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.919 -3.543 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.445 -2.562 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.002 -3.424 1.289 1.00 0.00 H new ATOM 895 N ASP A 52 -1.782 -4.400 4.210 1.00 0.00 N ATOM 896 CA ASP A 52 -3.046 -4.937 4.749 1.00 0.00 C ATOM 897 C ASP A 52 -3.952 -5.134 3.542 1.00 0.00 C ATOM 898 O ASP A 52 -4.877 -4.377 3.330 1.00 0.00 O ATOM 899 CB ASP A 52 -3.589 -3.851 5.678 1.00 0.00 C ATOM 900 CG ASP A 52 -4.506 -4.482 6.726 1.00 0.00 C ATOM 901 OD1 ASP A 52 -5.386 -5.234 6.341 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.314 -4.201 7.899 1.00 0.00 O ATOM 0 H ASP A 52 -1.697 -3.384 4.226 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.953 -5.875 5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.765 -3.332 6.167 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.138 -3.106 5.101 1.00 0.00 H new ATOM 907 N VAL A 53 -3.637 -6.114 2.718 1.00 0.00 N ATOM 908 CA VAL A 53 -4.416 -6.377 1.454 1.00 0.00 C ATOM 909 C VAL A 53 -5.900 -6.012 1.613 1.00 0.00 C ATOM 910 O VAL A 53 -6.513 -5.525 0.689 1.00 0.00 O ATOM 911 CB VAL A 53 -4.200 -7.878 1.116 1.00 0.00 C ATOM 912 CG1 VAL A 53 -4.114 -8.727 2.387 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.341 -8.408 0.234 1.00 0.00 C ATOM 0 H VAL A 53 -2.858 -6.755 2.871 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.065 -5.750 0.634 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.257 -7.954 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.963 -9.772 2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.278 -8.385 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.040 -8.629 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.169 -9.461 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.289 -8.300 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.376 -7.840 -0.696 1.00 0.00 H new ATOM 923 N GLU A 54 -6.475 -6.206 2.766 1.00 0.00 N ATOM 924 CA GLU A 54 -7.902 -5.820 2.928 1.00 0.00 C ATOM 925 C GLU A 54 -8.041 -4.323 2.662 1.00 0.00 C ATOM 926 O GLU A 54 -8.851 -3.894 1.865 1.00 0.00 O ATOM 927 CB GLU A 54 -8.263 -6.162 4.375 1.00 0.00 C ATOM 928 CG GLU A 54 -9.552 -6.986 4.397 1.00 0.00 C ATOM 929 CD GLU A 54 -10.233 -6.832 5.758 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.912 -7.601 6.649 1.00 0.00 O ATOM 931 OE2 GLU A 54 -11.065 -5.948 5.886 1.00 0.00 O ATOM 0 H GLU A 54 -6.028 -6.608 3.590 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.563 -6.340 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.452 -6.722 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.393 -5.248 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.222 -6.654 3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.328 -8.036 4.207 1.00 0.00 H new ATOM 938 N ARG A 55 -7.234 -3.527 3.304 1.00 0.00 N ATOM 939 CA ARG A 55 -7.292 -2.062 3.067 1.00 0.00 C ATOM 940 C ARG A 55 -6.736 -1.762 1.678 1.00 0.00 C ATOM 941 O ARG A 55 -7.314 -1.028 0.910 1.00 0.00 O ATOM 942 CB ARG A 55 -6.402 -1.438 4.141 1.00 0.00 C ATOM 943 CG ARG A 55 -7.044 -1.622 5.516 1.00 0.00 C ATOM 944 CD ARG A 55 -8.448 -1.000 5.532 1.00 0.00 C ATOM 945 NE ARG A 55 -8.271 0.382 4.993 1.00 0.00 N ATOM 946 CZ ARG A 55 -7.685 1.313 5.708 1.00 0.00 C ATOM 947 NH1 ARG A 55 -7.270 1.066 6.926 1.00 0.00 N ATOM 948 NH2 ARG A 55 -7.520 2.504 5.201 1.00 0.00 N ATOM 0 H ARG A 55 -6.536 -3.830 3.983 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.308 -1.669 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.416 -1.903 4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.258 -0.377 3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.105 -2.683 5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.423 -1.156 6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.141 -1.576 4.919 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.858 -0.979 6.542 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.610 0.605 4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.401 0.139 7.331 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.816 1.801 7.469 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.846 2.705 4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.065 3.234 5.750 1.00 0.00 H new ATOM 962 N ALA A 56 -5.627 -2.353 1.337 1.00 0.00 N ATOM 963 CA ALA A 56 -5.054 -2.125 -0.006 1.00 0.00 C ATOM 964 C ALA A 56 -6.083 -2.581 -1.044 1.00 0.00 C ATOM 965 O ALA A 56 -6.083 -2.137 -2.177 1.00 0.00 O ATOM 966 CB ALA A 56 -3.778 -2.977 -0.035 1.00 0.00 C ATOM 0 H ALA A 56 -5.095 -2.985 1.936 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.818 -1.084 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.288 -2.865 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.102 -2.647 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.036 -4.024 0.122 1.00 0.00 H new ATOM 972 N ARG A 57 -6.989 -3.450 -0.650 1.00 0.00 N ATOM 973 CA ARG A 57 -8.029 -3.909 -1.599 1.00 0.00 C ATOM 974 C ARG A 57 -9.230 -2.956 -1.557 1.00 0.00 C ATOM 975 O ARG A 57 -9.944 -2.802 -2.527 1.00 0.00 O ATOM 976 CB ARG A 57 -8.429 -5.310 -1.133 1.00 0.00 C ATOM 977 CG ARG A 57 -9.512 -5.868 -2.059 1.00 0.00 C ATOM 978 CD ARG A 57 -10.287 -6.970 -1.332 1.00 0.00 C ATOM 979 NE ARG A 57 -10.127 -8.182 -2.187 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.379 -9.380 -1.710 1.00 0.00 C ATOM 981 NH1 ARG A 57 -10.771 -9.543 -0.470 1.00 0.00 N ATOM 982 NH2 ARG A 57 -10.236 -10.423 -2.482 1.00 0.00 N ATOM 0 H ARG A 57 -7.044 -3.853 0.285 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.667 -3.925 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.560 -5.967 -1.136 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.797 -5.272 -0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.191 -5.071 -2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.059 -6.266 -2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.889 -7.138 -0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.338 -6.704 -1.217 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.818 -8.079 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.884 -8.733 0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.963 -10.480 -0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.931 -10.304 -3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.430 -11.356 -2.119 1.00 0.00 H new ATOM 996 N TYR A 58 -9.433 -2.291 -0.446 1.00 0.00 N ATOM 997 CA TYR A 58 -10.557 -1.317 -0.334 1.00 0.00 C ATOM 998 C TYR A 58 -10.348 -0.268 -1.400 1.00 0.00 C ATOM 999 O TYR A 58 -11.237 0.132 -2.127 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.373 -0.692 1.056 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.080 0.651 1.158 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.329 0.834 0.558 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.477 1.712 1.854 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.981 2.069 0.653 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.129 2.947 1.948 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.381 3.125 1.348 1.00 0.00 C ATOM 1007 OH TYR A 58 -13.023 4.344 1.441 1.00 0.00 O ATOM 0 H TYR A 58 -8.862 -2.384 0.394 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.547 -1.756 -0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.763 -1.369 1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.310 -0.562 1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.792 0.020 0.020 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.511 1.575 2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.947 2.207 0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.666 3.763 2.484 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.470 4.966 1.958 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.144 0.176 -1.450 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.749 1.217 -2.409 1.00 0.00 C ATOM 1019 C TRP A 59 -8.927 0.698 -3.821 1.00 0.00 C ATOM 1020 O TRP A 59 -9.646 1.268 -4.616 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.303 1.509 -2.025 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.395 2.145 -0.683 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.884 1.678 0.482 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.134 3.337 -0.359 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.245 2.554 1.498 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.018 3.594 1.021 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.874 4.217 -1.148 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.629 4.703 1.605 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.495 5.331 -0.572 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.373 5.577 0.802 1.00 0.00 C ATOM 0 H TRP A 59 -8.390 -0.150 -0.845 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.346 2.129 -2.380 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.709 0.596 -1.991 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.827 2.173 -2.747 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.297 0.779 0.600 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.973 2.443 2.475 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.968 4.038 -2.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.530 4.886 2.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.071 6.004 -1.189 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.852 6.439 1.241 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.335 -0.412 -4.128 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.544 -0.987 -5.482 1.00 0.00 C ATOM 1043 C LEU A 60 -10.054 -1.175 -5.707 1.00 0.00 C ATOM 1044 O LEU A 60 -10.518 -1.267 -6.826 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.823 -2.336 -5.467 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.416 -2.162 -6.036 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.581 -3.403 -5.719 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.498 -1.982 -7.554 1.00 0.00 C ATOM 0 H LEU A 60 -7.721 -0.944 -3.511 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.163 -0.351 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.771 -2.722 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.379 -3.065 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.950 -1.284 -5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.577 -3.279 -6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.522 -3.536 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.048 -4.280 -6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.494 -1.858 -7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.964 -2.861 -8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.094 -1.099 -7.784 1.00 0.00 H new ATOM 1060 N SER A 61 -10.824 -1.226 -4.639 1.00 0.00 N ATOM 1061 CA SER A 61 -12.297 -1.399 -4.782 1.00 0.00 C ATOM 1062 C SER A 61 -12.967 -0.071 -5.154 1.00 0.00 C ATOM 1063 O SER A 61 -14.038 -0.051 -5.729 1.00 0.00 O ATOM 1064 CB SER A 61 -12.781 -1.869 -3.410 1.00 0.00 C ATOM 1065 OG SER A 61 -13.490 -3.092 -3.556 1.00 0.00 O ATOM 0 H SER A 61 -10.489 -1.155 -3.678 1.00 0.00 H new ATOM 0 HA SER A 61 -12.544 -2.109 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.933 -2.005 -2.739 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.425 -1.113 -2.960 1.00 0.00 H new ATOM 0 HG SER A 61 -13.800 -3.397 -2.678 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.355 1.040 -4.833 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.971 2.345 -5.177 1.00 0.00 C ATOM 1073 C VAL A 62 -12.335 2.890 -6.453 1.00 0.00 C ATOM 1074 O VAL A 62 -12.184 4.081 -6.635 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.693 3.269 -3.982 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.180 2.613 -2.688 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.193 3.551 -3.863 1.00 0.00 C ATOM 0 H VAL A 62 -11.459 1.095 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.042 2.261 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.225 4.206 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.979 3.275 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.252 2.427 -2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.657 1.668 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.013 4.207 -3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.657 2.613 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.840 4.034 -4.774 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.967 2.010 -7.336 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.342 2.443 -8.616 1.00 0.00 C ATOM 1089 C GLY A 63 -9.958 3.039 -8.346 1.00 0.00 C ATOM 1090 O GLY A 63 -9.475 3.865 -9.094 1.00 0.00 O ATOM 0 H GLY A 63 -12.072 1.001 -7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.256 1.594 -9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.975 3.181 -9.108 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.310 2.628 -7.289 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.961 3.179 -6.992 1.00 0.00 C ATOM 1096 C ALA A 64 -6.959 2.702 -8.044 1.00 0.00 C ATOM 1097 O ALA A 64 -6.882 1.529 -8.352 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.591 2.630 -5.616 1.00 0.00 C ATOM 0 H ALA A 64 -9.656 1.938 -6.623 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.951 4.269 -7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.605 2.996 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.326 2.961 -4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.577 1.541 -5.651 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.191 3.596 -8.599 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.202 3.176 -9.629 1.00 0.00 C ATOM 1106 C GLN A 65 -3.809 3.013 -9.001 1.00 0.00 C ATOM 1107 O GLN A 65 -3.194 3.984 -8.607 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.195 4.304 -10.660 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.702 3.763 -11.998 1.00 0.00 C ATOM 1110 CD GLN A 65 -5.138 4.610 -13.140 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -5.873 5.075 -13.988 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -3.852 4.829 -13.200 1.00 0.00 N ATOM 0 H GLN A 65 -6.205 4.593 -8.386 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.461 2.216 -10.076 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.827 5.125 -10.323 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.187 4.703 -10.774 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.400 2.723 -12.119 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.792 3.783 -12.021 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.234 4.439 -12.488 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.465 5.390 -13.959 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.352 1.787 -8.930 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.022 1.511 -8.356 1.00 0.00 C ATOM 1123 C PRO A 66 -0.951 1.619 -9.444 1.00 0.00 C ATOM 1124 O PRO A 66 -1.031 0.971 -10.468 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.145 0.074 -7.869 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.218 -0.554 -8.713 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.017 0.552 -9.361 1.00 0.00 C ATOM 0 HA PRO A 66 -1.736 2.206 -7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.200 -0.458 -7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.409 0.041 -6.812 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.776 -1.198 -9.473 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.865 -1.181 -8.100 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.016 0.459 -10.447 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.059 0.529 -9.040 1.00 0.00 H new ATOM 1135 N THR A 67 0.054 2.425 -9.235 1.00 0.00 N ATOM 1136 CA THR A 67 1.121 2.555 -10.270 1.00 0.00 C ATOM 1137 C THR A 67 1.678 1.170 -10.617 1.00 0.00 C ATOM 1138 O THR A 67 1.425 0.203 -9.929 1.00 0.00 O ATOM 1139 CB THR A 67 2.198 3.445 -9.637 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.332 3.492 -10.491 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.606 2.886 -8.273 1.00 0.00 C ATOM 0 H THR A 67 0.183 2.995 -8.399 1.00 0.00 H new ATOM 0 HA THR A 67 0.751 2.989 -11.199 1.00 0.00 H new ATOM 0 HB THR A 67 1.798 4.450 -9.502 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.021 4.062 -10.089 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.371 3.525 -7.832 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.736 2.856 -7.617 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.002 1.878 -8.397 1.00 0.00 H new ATOM 1149 N ASP A 68 2.417 1.060 -11.686 1.00 0.00 N ATOM 1150 CA ASP A 68 2.966 -0.271 -12.081 1.00 0.00 C ATOM 1151 C ASP A 68 3.695 -0.933 -10.906 1.00 0.00 C ATOM 1152 O ASP A 68 3.688 -2.138 -10.757 1.00 0.00 O ATOM 1153 CB ASP A 68 3.942 0.025 -13.220 1.00 0.00 C ATOM 1154 CG ASP A 68 3.531 -0.765 -14.463 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.352 -0.771 -14.772 1.00 0.00 O ATOM 1156 OD2 ASP A 68 4.403 -1.351 -15.084 1.00 0.00 O ATOM 0 H ASP A 68 2.665 1.833 -12.304 1.00 0.00 H new ATOM 0 HA ASP A 68 2.178 -0.961 -12.383 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.947 1.093 -13.440 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.956 -0.245 -12.924 1.00 0.00 H new ATOM 1161 N THR A 69 4.325 -0.155 -10.076 1.00 0.00 N ATOM 1162 CA THR A 69 5.061 -0.732 -8.914 1.00 0.00 C ATOM 1163 C THR A 69 4.093 -1.160 -7.811 1.00 0.00 C ATOM 1164 O THR A 69 4.101 -2.289 -7.365 1.00 0.00 O ATOM 1165 CB THR A 69 5.923 0.408 -8.410 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.388 1.180 -9.508 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.114 -0.137 -7.618 1.00 0.00 C ATOM 0 H THR A 69 4.364 0.862 -10.150 1.00 0.00 H new ATOM 0 HA THR A 69 5.634 -1.615 -9.197 1.00 0.00 H new ATOM 0 HB THR A 69 5.324 1.039 -7.753 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.943 1.917 -9.178 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.725 0.693 -7.262 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.752 -0.713 -6.766 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.715 -0.780 -8.261 1.00 0.00 H new ATOM 1175 N ALA A 70 3.263 -0.258 -7.366 1.00 0.00 N ATOM 1176 CA ALA A 70 2.301 -0.596 -6.289 1.00 0.00 C ATOM 1177 C ALA A 70 1.292 -1.597 -6.817 1.00 0.00 C ATOM 1178 O ALA A 70 0.700 -2.353 -6.071 1.00 0.00 O ATOM 1179 CB ALA A 70 1.619 0.723 -5.931 1.00 0.00 C ATOM 0 H ALA A 70 3.212 0.702 -7.706 1.00 0.00 H new ATOM 0 HA ALA A 70 2.781 -1.043 -5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.891 0.553 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.367 1.438 -5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.112 1.121 -6.810 1.00 0.00 H new ATOM 1185 N ARG A 71 1.109 -1.632 -8.106 1.00 0.00 N ATOM 1186 CA ARG A 71 0.165 -2.605 -8.669 1.00 0.00 C ATOM 1187 C ARG A 71 0.799 -3.976 -8.526 1.00 0.00 C ATOM 1188 O ARG A 71 0.150 -4.950 -8.202 1.00 0.00 O ATOM 1189 CB ARG A 71 -0.004 -2.223 -10.141 1.00 0.00 C ATOM 1190 CG ARG A 71 -1.065 -3.121 -10.783 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.787 -3.248 -12.282 1.00 0.00 C ATOM 1192 NE ARG A 71 0.271 -4.295 -12.390 1.00 0.00 N ATOM 1193 CZ ARG A 71 0.981 -4.424 -13.486 1.00 0.00 C ATOM 1194 NH1 ARG A 71 0.787 -3.633 -14.512 1.00 0.00 N ATOM 1195 NH2 ARG A 71 1.897 -5.350 -13.556 1.00 0.00 N ATOM 0 H ARG A 71 1.575 -1.028 -8.783 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.806 -2.614 -8.174 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.299 -1.177 -10.225 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.945 -2.330 -10.667 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.054 -4.106 -10.316 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.058 -2.702 -10.621 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.686 -3.537 -12.827 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.450 -2.301 -12.703 1.00 0.00 H new ATOM 0 HE ARG A 71 0.444 -4.918 -11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.076 -2.904 -14.466 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.347 -3.747 -15.357 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.058 -5.969 -12.761 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.452 -5.455 -14.405 1.00 0.00 H new ATOM 1209 N ARG A 72 2.086 -4.047 -8.732 1.00 0.00 N ATOM 1210 CA ARG A 72 2.780 -5.341 -8.581 1.00 0.00 C ATOM 1211 C ARG A 72 2.805 -5.720 -7.108 1.00 0.00 C ATOM 1212 O ARG A 72 2.561 -6.851 -6.736 1.00 0.00 O ATOM 1213 CB ARG A 72 4.195 -5.092 -9.094 1.00 0.00 C ATOM 1214 CG ARG A 72 4.550 -6.150 -10.133 1.00 0.00 C ATOM 1215 CD ARG A 72 6.073 -6.289 -10.209 1.00 0.00 C ATOM 1216 NE ARG A 72 6.325 -7.259 -11.316 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.136 -8.545 -11.139 1.00 0.00 C ATOM 1218 NH1 ARG A 72 5.695 -9.010 -9.997 1.00 0.00 N ATOM 1219 NH2 ARG A 72 6.389 -9.372 -12.116 1.00 0.00 N ATOM 0 H ARG A 72 2.680 -3.261 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 72 2.294 -6.152 -9.124 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.265 -4.097 -9.534 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.905 -5.126 -8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.098 -7.105 -9.866 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.149 -5.869 -11.107 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.546 -5.328 -10.412 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.482 -6.653 -9.267 1.00 0.00 H new ATOM 0 HE ARG A 72 6.648 -6.917 -12.221 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.493 -8.369 -9.229 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.553 -10.013 -9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.731 -9.017 -13.009 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.245 -10.373 -11.987 1.00 0.00 H new ATOM 1233 N LEU A 73 3.091 -4.771 -6.263 1.00 0.00 N ATOM 1234 CA LEU A 73 3.125 -5.053 -4.814 1.00 0.00 C ATOM 1235 C LEU A 73 1.731 -5.422 -4.338 1.00 0.00 C ATOM 1236 O LEU A 73 1.568 -6.108 -3.349 1.00 0.00 O ATOM 1237 CB LEU A 73 3.615 -3.761 -4.168 1.00 0.00 C ATOM 1238 CG LEU A 73 5.005 -3.444 -4.707 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.432 -2.048 -4.250 1.00 0.00 C ATOM 1240 CD2 LEU A 73 5.995 -4.482 -4.183 1.00 0.00 C ATOM 0 H LEU A 73 3.303 -3.807 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 73 3.776 -5.888 -4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.928 -2.944 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.645 -3.868 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 73 4.988 -3.471 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.426 -1.826 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.723 -1.310 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.451 -2.012 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.991 -4.260 -4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.010 -4.453 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.691 -5.475 -4.516 1.00 0.00 H new ATOM 1252 N LEU A 74 0.719 -5.012 -5.052 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.648 -5.397 -4.645 1.00 0.00 C ATOM 1254 C LEU A 74 -0.793 -6.888 -4.923 1.00 0.00 C ATOM 1255 O LEU A 74 -1.475 -7.606 -4.220 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.591 -4.573 -5.515 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.727 -3.171 -4.925 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.158 -2.201 -6.022 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.780 -3.185 -3.813 1.00 0.00 C ATOM 0 H LEU A 74 0.784 -4.434 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.865 -5.215 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.207 -4.516 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.568 -5.054 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.769 -2.854 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.256 -1.199 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.410 -2.192 -6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.117 -2.518 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.877 -2.185 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.739 -3.501 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.474 -3.880 -3.031 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.098 -7.366 -5.922 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.137 -8.818 -6.220 1.00 0.00 C ATOM 1273 C ARG A 75 0.657 -9.511 -5.131 1.00 0.00 C ATOM 1274 O ARG A 75 0.356 -10.609 -4.708 1.00 0.00 O ATOM 1275 CB ARG A 75 0.579 -9.006 -7.562 1.00 0.00 C ATOM 1276 CG ARG A 75 0.079 -7.990 -8.580 1.00 0.00 C ATOM 1277 CD ARG A 75 -0.398 -8.710 -9.849 1.00 0.00 C ATOM 1278 NE ARG A 75 0.717 -9.628 -10.233 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.612 -10.412 -11.281 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -0.477 -10.419 -12.010 1.00 0.00 N ATOM 1281 NH2 ARG A 75 1.604 -11.198 -11.601 1.00 0.00 N ATOM 0 H ARG A 75 0.493 -6.810 -6.541 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.151 -9.216 -6.264 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.655 -8.894 -7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.408 -10.016 -7.934 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.738 -7.407 -8.154 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.876 -7.289 -8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.317 -9.266 -9.662 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.612 -7.998 -10.646 1.00 0.00 H new ATOM 0 HE ARG A 75 1.570 -9.646 -9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.258 -9.810 -11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.544 -11.034 -12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.455 -11.201 -11.038 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.528 -11.809 -12.414 1.00 0.00 H new ATOM 1295 N GLN A 76 1.687 -8.849 -4.683 1.00 0.00 N ATOM 1296 CA GLN A 76 2.543 -9.414 -3.628 1.00 0.00 C ATOM 1297 C GLN A 76 1.867 -9.273 -2.278 1.00 0.00 C ATOM 1298 O GLN A 76 2.063 -10.063 -1.376 1.00 0.00 O ATOM 1299 CB GLN A 76 3.808 -8.576 -3.698 1.00 0.00 C ATOM 1300 CG GLN A 76 4.980 -9.352 -3.102 1.00 0.00 C ATOM 1301 CD GLN A 76 5.505 -10.352 -4.133 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.697 -11.512 -3.828 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.748 -9.949 -5.351 1.00 0.00 N ATOM 0 H GLN A 76 1.968 -7.926 -5.015 1.00 0.00 H new ATOM 0 HA GLN A 76 2.744 -10.477 -3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.024 -8.313 -4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.666 -7.641 -3.155 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.774 -8.665 -2.809 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.663 -9.876 -2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.587 -8.975 -5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.099 -10.608 -6.046 1.00 0.00 H new ATOM 1312 N ALA A 77 1.063 -8.273 -2.148 1.00 0.00 N ATOM 1313 CA ALA A 77 0.340 -8.055 -0.874 1.00 0.00 C ATOM 1314 C ALA A 77 -0.781 -9.091 -0.717 1.00 0.00 C ATOM 1315 O ALA A 77 -1.451 -9.140 0.294 1.00 0.00 O ATOM 1316 CB ALA A 77 -0.246 -6.649 -0.987 1.00 0.00 C ATOM 0 H ALA A 77 0.870 -7.586 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 77 0.993 -8.157 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.799 -6.411 -0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.561 -5.928 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.918 -6.603 -1.844 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.996 -9.913 -1.713 1.00 0.00 N ATOM 1323 CA GLY A 78 -2.079 -10.931 -1.616 1.00 0.00 C ATOM 1324 C GLY A 78 -3.396 -10.320 -2.102 1.00 0.00 C ATOM 1325 O GLY A 78 -4.466 -10.803 -1.787 1.00 0.00 O ATOM 0 H GLY A 78 -0.468 -9.921 -2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.827 -11.805 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.182 -11.272 -0.586 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.332 -9.260 -2.866 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.584 -8.627 -3.361 1.00 0.00 C ATOM 1331 C VAL A 79 -5.100 -9.356 -4.606 1.00 0.00 C ATOM 1332 O VAL A 79 -6.194 -9.887 -4.612 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.217 -7.185 -3.698 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.488 -6.396 -4.015 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.503 -6.535 -2.507 1.00 0.00 C ATOM 0 H VAL A 79 -2.468 -8.809 -3.166 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.377 -8.674 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.554 -7.179 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.226 -5.366 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.995 -6.850 -4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.150 -6.409 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.244 -5.506 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.162 -6.544 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.595 -7.093 -2.279 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.329 -9.391 -5.662 1.00 0.00 N ATOM 1346 CA PHE A 80 -4.798 -10.093 -6.893 1.00 0.00 C ATOM 1347 C PHE A 80 -3.614 -10.672 -7.676 1.00 0.00 C ATOM 1348 O PHE A 80 -2.568 -10.064 -7.788 1.00 0.00 O ATOM 1349 CB PHE A 80 -5.519 -9.025 -7.719 1.00 0.00 C ATOM 1350 CG PHE A 80 -4.587 -7.867 -8.001 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -3.648 -7.956 -9.037 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -4.670 -6.698 -7.235 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -2.795 -6.880 -9.302 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -3.816 -5.623 -7.502 1.00 0.00 C ATOM 1355 CZ PHE A 80 -2.880 -5.714 -8.535 1.00 0.00 C ATOM 0 H PHE A 80 -3.403 -8.968 -5.725 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.451 -10.932 -6.653 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.870 -9.456 -8.657 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -6.399 -8.671 -7.181 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.583 -8.856 -9.631 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.394 -6.626 -6.437 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.070 -6.950 -10.100 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.880 -4.722 -6.909 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.222 -4.883 -8.741 1.00 0.00 H new ATOM 1365 N ARG A 81 -3.779 -11.849 -8.223 1.00 0.00 N ATOM 1366 CA ARG A 81 -2.675 -12.477 -9.006 1.00 0.00 C ATOM 1367 C ARG A 81 -3.026 -12.481 -10.496 1.00 0.00 C ATOM 1368 O ARG A 81 -2.604 -13.342 -11.242 1.00 0.00 O ATOM 1369 CB ARG A 81 -2.576 -13.910 -8.477 1.00 0.00 C ATOM 1370 CG ARG A 81 -1.376 -14.030 -7.538 1.00 0.00 C ATOM 1371 CD ARG A 81 -0.220 -14.712 -8.273 1.00 0.00 C ATOM 1372 NE ARG A 81 1.001 -14.339 -7.501 1.00 0.00 N ATOM 1373 CZ ARG A 81 2.177 -14.822 -7.827 1.00 0.00 C ATOM 1374 NH1 ARG A 81 2.309 -15.653 -8.833 1.00 0.00 N ATOM 1375 NH2 ARG A 81 3.229 -14.474 -7.139 1.00 0.00 N ATOM 0 H ARG A 81 -4.633 -12.403 -8.160 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.734 -11.938 -8.899 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.491 -14.177 -7.949 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.472 -14.608 -9.307 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.070 -13.042 -7.194 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.649 -14.606 -6.653 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.354 -15.793 -8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.153 -14.371 -9.306 1.00 0.00 H new ATOM 0 HE ARG A 81 0.921 -13.700 -6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.491 -15.932 -9.374 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.230 -16.020 -9.074 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.135 -13.830 -6.353 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.146 -14.845 -7.387 1.00 0.00 H new ATOM 1389 N GLN A 82 -3.800 -11.526 -10.935 1.00 0.00 N ATOM 1390 CA GLN A 82 -4.179 -11.478 -12.376 1.00 0.00 C ATOM 1391 C GLN A 82 -4.951 -10.191 -12.681 1.00 0.00 C ATOM 1392 O GLN A 82 -4.968 -9.266 -11.894 1.00 0.00 O ATOM 1393 CB GLN A 82 -5.068 -12.703 -12.589 1.00 0.00 C ATOM 1394 CG GLN A 82 -6.288 -12.615 -11.669 1.00 0.00 C ATOM 1395 CD GLN A 82 -6.821 -14.021 -11.390 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -6.371 -14.982 -11.981 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -7.769 -14.182 -10.508 1.00 0.00 N ATOM 0 H GLN A 82 -4.186 -10.778 -10.359 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.309 -11.485 -13.033 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.387 -12.757 -13.630 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.507 -13.614 -12.380 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.016 -12.126 -10.734 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.064 -12.006 -12.134 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.147 -13.375 -10.012 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.132 -15.115 -10.315 1.00 0.00 H new ATOM 1406 N GLU A 83 -5.588 -10.123 -13.819 1.00 0.00 N ATOM 1407 CA GLU A 83 -6.354 -8.892 -14.172 1.00 0.00 C ATOM 1408 C GLU A 83 -7.852 -9.200 -14.245 1.00 0.00 C ATOM 1409 O GLU A 83 -8.275 -10.326 -14.076 1.00 0.00 O ATOM 1410 CB GLU A 83 -5.823 -8.479 -15.545 1.00 0.00 C ATOM 1411 CG GLU A 83 -4.321 -8.203 -15.447 1.00 0.00 C ATOM 1412 CD GLU A 83 -3.561 -9.193 -16.330 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -3.586 -9.021 -17.537 1.00 0.00 O ATOM 1414 OE2 GLU A 83 -2.965 -10.108 -15.784 1.00 0.00 O ATOM 0 H GLU A 83 -5.611 -10.865 -14.519 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.231 -8.102 -13.431 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.012 -9.268 -16.273 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.345 -7.589 -15.897 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.107 -7.181 -15.761 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.991 -8.294 -14.412 1.00 0.00 H new ATOM 1421 N ALA A 84 -8.658 -8.203 -14.496 1.00 0.00 N ATOM 1422 CA ALA A 84 -10.130 -8.435 -14.578 1.00 0.00 C ATOM 1423 C ALA A 84 -10.526 -8.857 -15.997 1.00 0.00 C ATOM 1424 O ALA A 84 -11.513 -9.535 -16.198 1.00 0.00 O ATOM 1425 CB ALA A 84 -10.764 -7.090 -14.224 1.00 0.00 C ATOM 0 H ALA A 84 -8.361 -7.239 -14.648 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.458 -9.230 -13.909 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -11.850 -7.178 -14.262 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.459 -6.797 -13.219 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.436 -6.334 -14.938 1.00 0.00 H new ATOM 1431 N ARG A 85 -9.767 -8.460 -16.982 1.00 0.00 N ATOM 1432 CA ARG A 85 -10.105 -8.842 -18.383 1.00 0.00 C ATOM 1433 C ARG A 85 -9.828 -10.330 -18.609 1.00 0.00 C ATOM 1434 O ARG A 85 -8.703 -10.735 -18.824 1.00 0.00 O ATOM 1435 CB ARG A 85 -9.187 -7.991 -19.260 1.00 0.00 C ATOM 1436 CG ARG A 85 -9.844 -7.773 -20.625 1.00 0.00 C ATOM 1437 CD ARG A 85 -10.977 -6.754 -20.489 1.00 0.00 C ATOM 1438 NE ARG A 85 -12.134 -7.367 -21.206 1.00 0.00 N ATOM 1439 CZ ARG A 85 -13.249 -6.695 -21.381 1.00 0.00 C ATOM 1440 NH1 ARG A 85 -13.376 -5.472 -20.928 1.00 0.00 N ATOM 1441 NH2 ARG A 85 -14.242 -7.255 -22.015 1.00 0.00 N ATOM 0 H ARG A 85 -8.929 -7.888 -16.878 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.158 -8.676 -18.611 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.994 -7.032 -18.780 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -8.223 -8.485 -19.383 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.105 -7.418 -21.343 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -10.233 -8.716 -21.008 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -11.216 -6.566 -19.442 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -10.702 -5.796 -20.930 1.00 0.00 H new ATOM 0 HE ARG A 85 -12.058 -8.319 -21.564 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -12.603 -5.029 -20.432 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -14.248 -4.963 -21.072 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -14.149 -8.207 -22.370 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -15.112 -6.741 -22.156 1.00 0.00 H new ATOM 1455 N GLU A 86 -10.847 -11.147 -18.565 1.00 0.00 N ATOM 1456 CA GLU A 86 -10.645 -12.608 -18.780 1.00 0.00 C ATOM 1457 C GLU A 86 -11.992 -13.335 -18.770 1.00 0.00 C ATOM 1458 O GLU A 86 -12.783 -13.183 -17.860 1.00 0.00 O ATOM 1459 CB GLU A 86 -9.779 -13.069 -17.605 1.00 0.00 C ATOM 1460 CG GLU A 86 -9.552 -14.578 -17.699 1.00 0.00 C ATOM 1461 CD GLU A 86 -8.898 -15.075 -16.409 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -8.184 -14.300 -15.793 1.00 0.00 O ATOM 1463 OE2 GLU A 86 -9.120 -16.222 -16.060 1.00 0.00 O ATOM 0 H GLU A 86 -11.811 -10.864 -18.389 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.175 -12.821 -19.740 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.823 -12.545 -17.617 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.266 -12.822 -16.662 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.501 -15.090 -17.859 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.917 -14.809 -18.554 1.00 0.00 H new ATOM 1470 N GLY A 87 -12.260 -14.127 -19.772 1.00 0.00 N ATOM 1471 CA GLY A 87 -13.554 -14.863 -19.816 1.00 0.00 C ATOM 1472 C GLY A 87 -13.515 -15.905 -20.935 1.00 0.00 C ATOM 1473 O GLY A 87 -14.465 -16.073 -21.675 1.00 0.00 O ATOM 0 H GLY A 87 -11.638 -14.296 -20.562 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -13.740 -15.350 -18.859 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -14.375 -14.166 -19.983 1.00 0.00 H new ATOM 1477 N ALA A 88 -12.424 -16.608 -21.065 1.00 0.00 N ATOM 1478 CA ALA A 88 -12.325 -17.640 -22.136 1.00 0.00 C ATOM 1479 C ALA A 88 -11.637 -18.897 -21.597 1.00 0.00 C ATOM 1480 O ALA A 88 -10.488 -18.795 -21.198 1.00 0.00 O ATOM 1481 CB ALA A 88 -11.479 -16.993 -23.233 1.00 0.00 C ATOM 1482 OXT ALA A 88 -12.271 -19.939 -21.593 1.00 0.00 O ATOM 0 H ALA A 88 -11.597 -16.513 -20.476 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.303 -17.948 -22.505 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.360 -17.692 -24.061 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.974 -16.090 -23.590 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -10.499 -16.735 -22.832 1.00 0.00 H new TER 1488 ALA A 88