USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 487 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 Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.01 K(o=-1,f=-6.2!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.1!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -130:sc= -2.48 (180deg=-9.68!) USER MOD Single : A 26 MET CE :methyl -176:sc= 0 (180deg=-0.0237) USER MOD Single : A 27 MET CE :methyl 147:sc= -0.425 (180deg=-2.84!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.189 USER MOD Single : A 31 THR OG1 : rot -3:sc= 0.918 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.203 K(o=-0.2,f=-4.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.159 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.417 X(o=-0.42,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.46 USER MOD Single : A 60 ASN : amide:sc= -7.94! C(o=-7.9!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.814 11.801 -1.429 1.00 0.00 N ATOM 2 CA LEU A 1 6.517 10.738 -0.486 1.00 0.00 C ATOM 3 C LEU A 1 7.086 9.419 -1.013 1.00 0.00 C ATOM 4 O LEU A 1 6.707 8.962 -2.090 1.00 0.00 O ATOM 5 CB LEU A 1 5.016 10.686 -0.192 1.00 0.00 C ATOM 6 CG LEU A 1 4.545 11.478 1.030 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.035 11.717 0.978 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.972 10.790 2.328 1.00 0.00 C ATOM 0 H1 LEU A 1 6.428 12.699 -1.073 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.844 11.887 -1.542 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.383 11.579 -2.349 1.00 0.00 H new ATOM 0 HA LEU A 1 7.000 10.934 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.481 11.054 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.728 9.643 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 1 5.027 12.455 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.726 12.282 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.787 12.281 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.515 10.759 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.625 11.374 3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.537 9.791 2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 1 6.059 10.714 2.359 1.00 0.00 H new ATOM 20 N LYS A 2 7.988 8.845 -0.231 1.00 0.00 N ATOM 21 CA LYS A 2 8.613 7.588 -0.605 1.00 0.00 C ATOM 22 C LYS A 2 8.109 6.477 0.318 1.00 0.00 C ATOM 23 O LYS A 2 7.904 6.701 1.510 1.00 0.00 O ATOM 24 CB LYS A 2 10.136 7.731 -0.622 1.00 0.00 C ATOM 25 CG LYS A 2 10.562 8.972 -1.407 1.00 0.00 C ATOM 26 CD LYS A 2 12.086 9.064 -1.504 1.00 0.00 C ATOM 27 CE LYS A 2 12.527 10.477 -1.892 1.00 0.00 C ATOM 28 NZ LYS A 2 13.145 10.476 -3.236 1.00 0.00 N ATOM 0 H LYS A 2 8.301 9.228 0.661 1.00 0.00 H new ATOM 0 HA LYS A 2 8.331 7.310 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.510 7.797 0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.583 6.843 -1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.132 8.939 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.170 9.866 -0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.532 8.790 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.451 8.350 -2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.668 11.148 -1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.238 10.857 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.439 11.442 -3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.976 9.851 -3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.455 10.134 -3.935 1.00 0.00 H new ATOM 42 N CYS A 3 7.924 5.303 -0.268 1.00 0.00 N ATOM 43 CA CYS A 3 7.448 4.157 0.488 1.00 0.00 C ATOM 44 C CYS A 3 8.256 2.931 0.060 1.00 0.00 C ATOM 45 O CYS A 3 8.895 2.939 -0.991 1.00 0.00 O ATOM 46 CB CYS A 3 5.943 3.942 0.303 1.00 0.00 C ATOM 47 SG CYS A 3 4.885 4.924 1.426 1.00 0.00 S ATOM 0 H CYS A 3 8.095 5.121 -1.257 1.00 0.00 H new ATOM 0 HA CYS A 3 7.595 4.334 1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.679 4.184 -0.726 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.720 2.885 0.449 1.00 0.00 H new ATOM 52 N ASN A 4 8.201 1.905 0.896 1.00 0.00 N ATOM 53 CA ASN A 4 8.920 0.673 0.618 1.00 0.00 C ATOM 54 C ASN A 4 8.191 -0.102 -0.482 1.00 0.00 C ATOM 55 O ASN A 4 7.027 0.174 -0.772 1.00 0.00 O ATOM 56 CB ASN A 4 8.987 -0.218 1.860 1.00 0.00 C ATOM 57 CG ASN A 4 9.103 0.622 3.133 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.127 0.915 3.804 1.00 0.00 O ATOM 59 ND2 ASN A 4 10.346 0.992 3.426 1.00 0.00 N ATOM 0 H ASN A 4 7.669 1.901 1.767 1.00 0.00 H new ATOM 0 HA ASN A 4 9.931 0.936 0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.095 -0.842 1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.842 -0.890 1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.528 1.556 4.256 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.118 0.712 2.821 1.00 0.00 H new ATOM 66 N LYS A 5 8.904 -1.056 -1.062 1.00 0.00 N ATOM 67 CA LYS A 5 8.339 -1.872 -2.123 1.00 0.00 C ATOM 68 C LYS A 5 7.779 -3.164 -1.524 1.00 0.00 C ATOM 69 O LYS A 5 7.581 -3.255 -0.314 1.00 0.00 O ATOM 70 CB LYS A 5 9.370 -2.102 -3.229 1.00 0.00 C ATOM 71 CG LYS A 5 9.738 -0.788 -3.920 1.00 0.00 C ATOM 72 CD LYS A 5 9.217 -0.759 -5.357 1.00 0.00 C ATOM 73 CE LYS A 5 7.695 -0.612 -5.387 1.00 0.00 C ATOM 74 NZ LYS A 5 7.303 0.553 -6.211 1.00 0.00 N ATOM 0 H LYS A 5 9.868 -1.282 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 5 7.506 -1.355 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.266 -2.558 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.971 -2.803 -3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.321 0.050 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.821 -0.664 -3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.676 0.069 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.507 -1.675 -5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.244 -1.519 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.315 -0.492 -4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.267 0.638 -6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.718 1.418 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.649 0.423 -7.183 1.00 0.00 H new ATOM 88 N LEU A 6 7.542 -4.129 -2.399 1.00 0.00 N ATOM 89 CA LEU A 6 7.010 -5.413 -1.971 1.00 0.00 C ATOM 90 C LEU A 6 7.721 -5.852 -0.689 1.00 0.00 C ATOM 91 O LEU A 6 7.120 -6.501 0.165 1.00 0.00 O ATOM 92 CB LEU A 6 7.100 -6.435 -3.106 1.00 0.00 C ATOM 93 CG LEU A 6 5.939 -7.427 -3.208 1.00 0.00 C ATOM 94 CD1 LEU A 6 6.057 -8.522 -2.147 1.00 0.00 C ATOM 95 CD2 LEU A 6 4.592 -6.703 -3.139 1.00 0.00 C ATOM 0 H LEU A 6 7.708 -4.049 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 6 5.949 -5.327 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.175 -5.895 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.025 -6.999 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 6 5.992 -7.916 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.219 -9.213 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.992 -9.064 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.044 -8.070 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.784 -7.430 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.514 -6.170 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.518 -5.993 -3.962 1.00 0.00 H new ATOM 107 N VAL A 7 8.989 -5.481 -0.596 1.00 0.00 N ATOM 108 CA VAL A 7 9.787 -5.830 0.566 1.00 0.00 C ATOM 109 C VAL A 7 10.573 -4.600 1.027 1.00 0.00 C ATOM 110 O VAL A 7 11.066 -3.831 0.205 1.00 0.00 O ATOM 111 CB VAL A 7 10.684 -7.027 0.246 1.00 0.00 C ATOM 112 CG1 VAL A 7 12.009 -6.938 1.005 1.00 0.00 C ATOM 113 CG2 VAL A 7 9.968 -8.345 0.547 1.00 0.00 C ATOM 0 H VAL A 7 9.484 -4.942 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 7 9.145 -6.135 1.392 1.00 0.00 H new ATOM 0 HB VAL A 7 10.907 -7.002 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.628 -7.801 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.531 -6.025 0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.814 -6.925 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.628 -9.180 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.701 -8.381 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.064 -8.414 -0.058 1.00 0.00 H new ATOM 123 N PRO A 8 10.665 -4.455 2.341 1.00 0.00 N ATOM 124 CA PRO A 8 11.405 -3.297 2.938 1.00 0.00 C ATOM 125 C PRO A 8 12.937 -3.115 2.660 1.00 0.00 C ATOM 126 O PRO A 8 13.588 -2.272 3.278 1.00 0.00 O ATOM 127 CB PRO A 8 11.090 -3.446 4.444 1.00 0.00 C ATOM 128 CG PRO A 8 9.889 -4.391 4.530 1.00 0.00 C ATOM 129 CD PRO A 8 10.091 -5.364 3.370 1.00 0.00 C ATOM 0 HA PRO A 8 11.065 -2.382 2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.946 -3.852 4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.859 -2.480 4.892 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.861 -4.913 5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.948 -3.849 4.435 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.769 -6.178 3.627 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.155 -5.819 3.044 1.00 0.00 H new ATOM 137 N ILE A 9 13.438 -3.921 1.736 1.00 0.00 N ATOM 138 CA ILE A 9 14.844 -3.863 1.375 1.00 0.00 C ATOM 139 C ILE A 9 15.014 -2.970 0.144 1.00 0.00 C ATOM 140 O ILE A 9 16.135 -2.721 -0.297 1.00 0.00 O ATOM 141 CB ILE A 9 15.410 -5.272 1.195 1.00 0.00 C ATOM 142 CG1 ILE A 9 16.460 -5.584 2.264 1.00 0.00 C ATOM 143 CG2 ILE A 9 15.959 -5.466 -0.220 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.356 -7.038 2.729 1.00 0.00 C ATOM 0 H ILE A 9 12.895 -4.618 1.226 1.00 0.00 H new ATOM 0 HA ILE A 9 15.425 -3.412 2.179 1.00 0.00 H new ATOM 0 HB ILE A 9 14.596 -5.985 1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 9 17.457 -5.397 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.327 -4.916 3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 9 16.355 -6.476 -0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 9 15.159 -5.316 -0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 9 16.755 -4.744 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.114 -7.232 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.366 -7.215 3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.514 -7.704 1.880 1.00 0.00 H new ATOM 156 N ALA A 10 13.884 -2.512 -0.376 1.00 0.00 N ATOM 157 CA ALA A 10 13.894 -1.653 -1.547 1.00 0.00 C ATOM 158 C ALA A 10 12.640 -0.776 -1.541 1.00 0.00 C ATOM 159 O ALA A 10 11.528 -1.277 -1.379 1.00 0.00 O ATOM 160 CB ALA A 10 13.999 -2.511 -2.809 1.00 0.00 C ATOM 0 H ALA A 10 12.956 -2.720 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 10 14.760 -0.991 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.006 -1.866 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.920 -3.093 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.145 -3.186 -2.862 1.00 0.00 H new ATOM 166 N TYR A 11 12.862 0.518 -1.719 1.00 0.00 N ATOM 167 CA TYR A 11 11.763 1.470 -1.735 1.00 0.00 C ATOM 168 C TYR A 11 11.900 2.443 -2.907 1.00 0.00 C ATOM 169 O TYR A 11 13.007 2.703 -3.378 1.00 0.00 O ATOM 170 CB TYR A 11 11.862 2.252 -0.424 1.00 0.00 C ATOM 171 CG TYR A 11 13.132 3.097 -0.297 1.00 0.00 C ATOM 172 CD1 TYR A 11 13.155 4.385 -0.793 1.00 0.00 C ATOM 173 CD2 TYR A 11 14.253 2.572 0.312 1.00 0.00 C ATOM 174 CE1 TYR A 11 14.349 5.181 -0.675 1.00 0.00 C ATOM 175 CE2 TYR A 11 15.447 3.368 0.431 1.00 0.00 C ATOM 176 CZ TYR A 11 15.436 4.633 -0.069 1.00 0.00 C ATOM 177 OH TYR A 11 16.565 5.384 0.043 1.00 0.00 O ATOM 0 H TYR A 11 13.785 0.930 -1.853 1.00 0.00 H new ATOM 0 HA TYR A 11 10.809 0.954 -1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.993 2.905 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.820 1.551 0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.277 4.796 -1.270 1.00 0.00 H new ATOM 0 HD2 TYR A 11 14.235 1.564 0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.381 6.190 -1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.331 2.970 0.906 1.00 0.00 H new ATOM 0 HH TYR A 11 17.260 4.864 0.498 1.00 0.00 H new ATOM 187 N LYS A 12 10.759 2.956 -3.345 1.00 0.00 N ATOM 188 CA LYS A 12 10.737 3.896 -4.453 1.00 0.00 C ATOM 189 C LYS A 12 9.795 5.053 -4.116 1.00 0.00 C ATOM 190 O LYS A 12 9.317 5.162 -2.988 1.00 0.00 O ATOM 191 CB LYS A 12 10.388 3.178 -5.758 1.00 0.00 C ATOM 192 CG LYS A 12 11.649 2.667 -6.457 1.00 0.00 C ATOM 193 CD LYS A 12 11.809 1.157 -6.266 1.00 0.00 C ATOM 194 CE LYS A 12 13.279 0.745 -6.358 1.00 0.00 C ATOM 195 NZ LYS A 12 13.486 -0.187 -7.488 1.00 0.00 N ATOM 0 H LYS A 12 9.843 2.738 -2.952 1.00 0.00 H new ATOM 0 HA LYS A 12 11.727 4.326 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.719 2.343 -5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.852 3.858 -6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.599 2.899 -7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.523 3.182 -6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.406 0.865 -5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.231 0.628 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.903 1.629 -6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.589 0.271 -5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.489 -0.457 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.905 -1.038 -7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.209 0.278 -8.376 1.00 0.00 H new ATOM 209 N THR A 13 9.556 5.889 -5.115 1.00 0.00 N ATOM 210 CA THR A 13 8.679 7.035 -4.939 1.00 0.00 C ATOM 211 C THR A 13 7.274 6.715 -5.456 1.00 0.00 C ATOM 212 O THR A 13 7.119 5.978 -6.429 1.00 0.00 O ATOM 213 CB THR A 13 9.323 8.235 -5.635 1.00 0.00 C ATOM 214 OG1 THR A 13 9.945 8.957 -4.577 1.00 0.00 O ATOM 215 CG2 THR A 13 8.288 9.214 -6.195 1.00 0.00 C ATOM 0 H THR A 13 9.954 5.796 -6.049 1.00 0.00 H new ATOM 0 HA THR A 13 8.556 7.281 -3.884 1.00 0.00 H new ATOM 0 HB THR A 13 9.964 7.883 -6.443 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.389 9.752 -4.940 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.799 10.047 -6.678 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.660 8.702 -6.924 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.667 9.592 -5.382 1.00 0.00 H new ATOM 223 N CYS A 14 6.286 7.285 -4.781 1.00 0.00 N ATOM 224 CA CYS A 14 4.901 7.070 -5.159 1.00 0.00 C ATOM 225 C CYS A 14 4.611 7.897 -6.415 1.00 0.00 C ATOM 226 O CYS A 14 4.576 9.126 -6.358 1.00 0.00 O ATOM 227 CB CYS A 14 3.942 7.413 -4.017 1.00 0.00 C ATOM 228 SG CYS A 14 4.080 6.329 -2.549 1.00 0.00 S ATOM 0 H CYS A 14 6.418 7.895 -3.975 1.00 0.00 H new ATOM 0 HA CYS A 14 4.741 6.014 -5.375 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.120 8.443 -3.709 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.920 7.365 -4.392 1.00 0.00 H new ATOM 233 N PRO A 15 4.411 7.190 -7.517 1.00 0.00 N ATOM 234 CA PRO A 15 4.117 7.863 -8.822 1.00 0.00 C ATOM 235 C PRO A 15 3.022 8.982 -8.902 1.00 0.00 C ATOM 236 O PRO A 15 2.218 9.136 -7.982 1.00 0.00 O ATOM 237 CB PRO A 15 3.810 6.666 -9.750 1.00 0.00 C ATOM 238 CG PRO A 15 3.513 5.485 -8.824 1.00 0.00 C ATOM 239 CD PRO A 15 4.425 5.710 -7.620 1.00 0.00 C ATOM 0 HA PRO A 15 4.971 8.485 -9.090 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.958 6.880 -10.396 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.657 6.449 -10.401 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.464 5.465 -8.530 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.726 4.534 -9.312 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.042 5.232 -6.719 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.429 5.319 -7.786 1.00 0.00 H new ATOM 247 N GLU A 16 3.045 9.711 -10.007 1.00 0.00 N ATOM 248 CA GLU A 16 2.087 10.784 -10.217 1.00 0.00 C ATOM 249 C GLU A 16 0.661 10.232 -10.200 1.00 0.00 C ATOM 250 O GLU A 16 0.398 9.162 -10.748 1.00 0.00 O ATOM 251 CB GLU A 16 2.373 11.526 -11.524 1.00 0.00 C ATOM 252 CG GLU A 16 3.697 12.288 -11.444 1.00 0.00 C ATOM 253 CD GLU A 16 3.534 13.592 -10.661 1.00 0.00 C ATOM 254 OE1 GLU A 16 2.479 14.237 -10.847 1.00 0.00 O ATOM 255 OE2 GLU A 16 4.465 13.914 -9.894 1.00 0.00 O ATOM 0 H GLU A 16 3.712 9.580 -10.767 1.00 0.00 H new ATOM 0 HA GLU A 16 2.188 11.500 -9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.408 10.815 -12.350 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.561 12.222 -11.736 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.451 11.664 -10.965 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.056 12.506 -12.450 1.00 0.00 H new ATOM 262 N GLY A 17 -0.225 10.987 -9.565 1.00 0.00 N ATOM 263 CA GLY A 17 -1.618 10.588 -9.469 1.00 0.00 C ATOM 264 C GLY A 17 -1.919 9.970 -8.102 1.00 0.00 C ATOM 265 O GLY A 17 -3.046 10.048 -7.616 1.00 0.00 O ATOM 0 H GLY A 17 -0.004 11.874 -9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.260 11.454 -9.630 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.849 9.870 -10.256 1.00 0.00 H new ATOM 269 N LYS A 18 -0.891 9.370 -7.521 1.00 0.00 N ATOM 270 CA LYS A 18 -1.032 8.739 -6.219 1.00 0.00 C ATOM 271 C LYS A 18 0.022 9.307 -5.266 1.00 0.00 C ATOM 272 O LYS A 18 1.220 9.161 -5.500 1.00 0.00 O ATOM 273 CB LYS A 18 -0.980 7.216 -6.354 1.00 0.00 C ATOM 274 CG LYS A 18 0.231 6.778 -7.178 1.00 0.00 C ATOM 275 CD LYS A 18 0.126 5.302 -7.566 1.00 0.00 C ATOM 276 CE LYS A 18 -0.104 5.146 -9.070 1.00 0.00 C ATOM 277 NZ LYS A 18 -1.368 4.422 -9.329 1.00 0.00 N ATOM 0 H LYS A 18 0.043 9.307 -7.927 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.008 8.965 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.934 6.761 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.894 6.858 -6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.304 7.390 -8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.144 6.943 -6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.039 4.781 -7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.693 4.836 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.137 6.128 -9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.730 4.605 -9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.509 4.325 -10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.323 3.478 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.163 4.953 -8.920 1.00 0.00 H new ATOM 291 N ASN A 19 -0.464 9.945 -4.211 1.00 0.00 N ATOM 292 CA ASN A 19 0.420 10.537 -3.222 1.00 0.00 C ATOM 293 C ASN A 19 0.299 9.761 -1.908 1.00 0.00 C ATOM 294 O ASN A 19 1.075 9.983 -0.979 1.00 0.00 O ATOM 295 CB ASN A 19 0.044 11.994 -2.947 1.00 0.00 C ATOM 296 CG ASN A 19 0.891 12.575 -1.813 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.058 12.892 -1.975 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.240 12.696 -0.660 1.00 0.00 N ATOM 0 H ASN A 19 -1.459 10.065 -4.020 1.00 0.00 H new ATOM 0 HA ASN A 19 1.437 10.496 -3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.185 12.586 -3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.012 12.057 -2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.718 13.074 0.158 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.737 12.411 -0.594 1.00 0.00 H new ATOM 305 N LEU A 20 -0.680 8.870 -1.872 1.00 0.00 N ATOM 306 CA LEU A 20 -0.913 8.061 -0.687 1.00 0.00 C ATOM 307 C LEU A 20 -0.283 6.681 -0.886 1.00 0.00 C ATOM 308 O LEU A 20 -0.039 6.263 -2.017 1.00 0.00 O ATOM 309 CB LEU A 20 -2.405 8.014 -0.355 1.00 0.00 C ATOM 310 CG LEU A 20 -2.985 9.266 0.307 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.504 9.328 0.127 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.578 9.345 1.780 1.00 0.00 C ATOM 0 H LEU A 20 -1.322 8.690 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.431 8.510 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.956 7.826 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.584 7.163 0.303 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.566 10.141 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.891 10.227 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.744 9.352 -0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.960 8.449 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.003 10.244 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.949 8.467 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.491 9.381 1.856 1.00 0.00 H new ATOM 324 N CYS A 21 -0.039 6.010 0.231 1.00 0.00 N ATOM 325 CA CYS A 21 0.556 4.686 0.194 1.00 0.00 C ATOM 326 C CYS A 21 -0.490 3.674 0.665 1.00 0.00 C ATOM 327 O CYS A 21 -1.306 3.979 1.535 1.00 0.00 O ATOM 328 CB CYS A 21 1.835 4.617 1.033 1.00 0.00 C ATOM 329 SG CYS A 21 3.354 5.144 0.159 1.00 0.00 S ATOM 0 H CYS A 21 -0.243 6.360 1.167 1.00 0.00 H new ATOM 0 HA CYS A 21 0.855 4.448 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.707 5.241 1.918 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.970 3.593 1.381 1.00 0.00 H new ATOM 334 N TYR A 22 -0.434 2.492 0.070 1.00 0.00 N ATOM 335 CA TYR A 22 -1.367 1.434 0.419 1.00 0.00 C ATOM 336 C TYR A 22 -0.645 0.094 0.568 1.00 0.00 C ATOM 337 O TYR A 22 0.397 -0.127 -0.047 1.00 0.00 O ATOM 338 CB TYR A 22 -2.353 1.342 -0.748 1.00 0.00 C ATOM 339 CG TYR A 22 -1.873 0.457 -1.900 1.00 0.00 C ATOM 340 CD1 TYR A 22 -1.112 1.000 -2.916 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.200 -0.884 -1.924 1.00 0.00 C ATOM 342 CE1 TYR A 22 -0.660 0.167 -4.000 1.00 0.00 C ATOM 343 CE2 TYR A 22 -1.748 -1.716 -3.009 1.00 0.00 C ATOM 344 CZ TYR A 22 -1.000 -1.150 -3.993 1.00 0.00 C ATOM 345 OH TYR A 22 -0.573 -1.936 -5.017 1.00 0.00 O ATOM 0 H TYR A 22 0.243 2.243 -0.651 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.859 1.652 1.367 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.303 0.956 -0.378 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.544 2.345 -1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.856 2.049 -2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.795 -1.309 -1.129 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.064 0.579 -4.801 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.998 -2.766 -3.040 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.890 -2.853 -4.879 1.00 0.00 H new ATOM 355 N LYS A 23 -1.227 -0.767 1.391 1.00 0.00 N ATOM 356 CA LYS A 23 -0.652 -2.080 1.629 1.00 0.00 C ATOM 357 C LYS A 23 -1.778 -3.096 1.828 1.00 0.00 C ATOM 358 O LYS A 23 -2.624 -2.928 2.704 1.00 0.00 O ATOM 359 CB LYS A 23 0.341 -2.027 2.792 1.00 0.00 C ATOM 360 CG LYS A 23 -0.252 -1.275 3.986 1.00 0.00 C ATOM 361 CD LYS A 23 0.848 -0.621 4.823 1.00 0.00 C ATOM 362 CE LYS A 23 1.077 -1.393 6.124 1.00 0.00 C ATOM 363 NZ LYS A 23 1.160 -0.461 7.271 1.00 0.00 N ATOM 0 H LYS A 23 -2.090 -0.581 1.901 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.076 -2.407 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.609 -3.040 3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.259 -1.537 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.946 -0.513 3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.825 -1.964 4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.774 -0.585 4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.574 0.409 5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.264 -2.102 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.997 -1.974 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.316 -1.001 8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.951 0.199 7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.272 0.075 7.348 1.00 0.00 H new ATOM 377 N MET A 24 -1.753 -4.130 0.998 1.00 0.00 N ATOM 378 CA MET A 24 -2.761 -5.174 1.072 1.00 0.00 C ATOM 379 C MET A 24 -2.254 -6.369 1.882 1.00 0.00 C ATOM 380 O MET A 24 -1.096 -6.764 1.753 1.00 0.00 O ATOM 381 CB MET A 24 -3.126 -5.632 -0.341 1.00 0.00 C ATOM 382 CG MET A 24 -3.773 -4.495 -1.135 1.00 0.00 C ATOM 383 SD MET A 24 -4.113 -5.033 -2.803 1.00 0.00 S ATOM 384 CE MET A 24 -4.255 -3.450 -3.616 1.00 0.00 C ATOM 0 H MET A 24 -1.050 -4.266 0.271 1.00 0.00 H new ATOM 0 HA MET A 24 -3.641 -4.769 1.571 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.231 -5.978 -0.858 1.00 0.00 H new ATOM 0 HB3 MET A 24 -3.810 -6.479 -0.287 1.00 0.00 H new ATOM 0 HG2 MET A 24 -4.697 -4.181 -0.650 1.00 0.00 H new ATOM 0 HG3 MET A 24 -3.111 -3.629 -1.151 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.174 -3.423 -4.201 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.277 -2.657 -2.868 1.00 0.00 H new ATOM 0 HE3 MET A 24 -3.400 -3.302 -4.276 1.00 0.00 H new ATOM 394 N PHE A 25 -3.147 -6.912 2.697 1.00 0.00 N ATOM 395 CA PHE A 25 -2.804 -8.055 3.527 1.00 0.00 C ATOM 396 C PHE A 25 -3.891 -9.130 3.454 1.00 0.00 C ATOM 397 O PHE A 25 -5.070 -8.816 3.301 1.00 0.00 O ATOM 398 CB PHE A 25 -2.701 -7.546 4.966 1.00 0.00 C ATOM 399 CG PHE A 25 -1.410 -6.784 5.266 1.00 0.00 C ATOM 400 CD1 PHE A 25 -1.283 -5.484 4.890 1.00 0.00 C ATOM 401 CD2 PHE A 25 -0.386 -7.408 5.910 1.00 0.00 C ATOM 402 CE1 PHE A 25 -0.084 -4.776 5.168 1.00 0.00 C ATOM 403 CE2 PHE A 25 0.813 -6.700 6.188 1.00 0.00 C ATOM 404 CZ PHE A 25 0.939 -5.400 5.811 1.00 0.00 C ATOM 0 H PHE A 25 -4.107 -6.582 2.800 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.869 -8.498 3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.551 -6.895 5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.777 -8.394 5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.095 -4.989 4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.485 -8.441 6.209 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.015 -3.743 4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.626 -7.195 6.699 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.852 -4.863 6.022 1.00 0.00 H new ATOM 414 N MET A 26 -3.453 -10.376 3.568 1.00 0.00 N ATOM 415 CA MET A 26 -4.374 -11.499 3.517 1.00 0.00 C ATOM 416 C MET A 26 -5.145 -11.635 4.832 1.00 0.00 C ATOM 417 O MET A 26 -4.682 -11.182 5.877 1.00 0.00 O ATOM 418 CB MET A 26 -3.593 -12.787 3.247 1.00 0.00 C ATOM 419 CG MET A 26 -2.921 -12.742 1.873 1.00 0.00 C ATOM 420 SD MET A 26 -2.540 -14.397 1.325 1.00 0.00 S ATOM 421 CE MET A 26 -1.188 -14.784 2.424 1.00 0.00 C ATOM 0 H MET A 26 -2.474 -10.632 3.695 1.00 0.00 H new ATOM 0 HA MET A 26 -5.090 -11.323 2.714 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.838 -12.928 4.021 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.266 -13.643 3.299 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.578 -12.254 1.153 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.008 -12.148 1.925 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.781 -15.762 2.169 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.409 -14.029 2.322 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.548 -14.798 3.453 1.00 0.00 H new ATOM 431 N MET A 27 -6.309 -12.263 4.735 1.00 0.00 N ATOM 432 CA MET A 27 -7.148 -12.465 5.904 1.00 0.00 C ATOM 433 C MET A 27 -6.450 -13.358 6.932 1.00 0.00 C ATOM 434 O MET A 27 -6.553 -13.122 8.135 1.00 0.00 O ATOM 435 CB MET A 27 -8.468 -13.111 5.478 1.00 0.00 C ATOM 436 CG MET A 27 -9.479 -12.052 5.033 1.00 0.00 C ATOM 437 SD MET A 27 -10.655 -11.742 6.338 1.00 0.00 S ATOM 438 CE MET A 27 -9.760 -10.517 7.279 1.00 0.00 C ATOM 0 H MET A 27 -6.690 -12.638 3.866 1.00 0.00 H new ATOM 0 HA MET A 27 -7.339 -11.495 6.364 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.288 -13.812 4.663 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.880 -13.686 6.307 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.960 -11.129 4.773 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.999 -12.389 4.136 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.464 -9.814 7.724 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.191 -11.009 8.068 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.078 -9.979 6.620 1.00 0.00 H new ATOM 448 N SER A 28 -5.757 -14.364 6.422 1.00 0.00 N ATOM 449 CA SER A 28 -5.043 -15.293 7.281 1.00 0.00 C ATOM 450 C SER A 28 -3.858 -14.588 7.944 1.00 0.00 C ATOM 451 O SER A 28 -3.998 -14.010 9.021 1.00 0.00 O ATOM 452 CB SER A 28 -4.562 -16.513 6.493 1.00 0.00 C ATOM 453 OG SER A 28 -3.570 -17.249 7.203 1.00 0.00 O ATOM 0 H SER A 28 -5.674 -14.557 5.424 1.00 0.00 H new ATOM 0 HA SER A 28 -5.729 -15.641 8.054 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.410 -17.163 6.277 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.156 -16.189 5.535 1.00 0.00 H new ATOM 0 HG SER A 28 -3.290 -18.021 6.668 1.00 0.00 H new ATOM 459 N ASP A 29 -2.717 -14.658 7.272 1.00 0.00 N ATOM 460 CA ASP A 29 -1.509 -14.034 7.783 1.00 0.00 C ATOM 461 C ASP A 29 -1.594 -12.520 7.572 1.00 0.00 C ATOM 462 O ASP A 29 -0.949 -11.978 6.676 1.00 0.00 O ATOM 463 CB ASP A 29 -0.271 -14.545 7.044 1.00 0.00 C ATOM 464 CG ASP A 29 1.037 -14.451 7.833 1.00 0.00 C ATOM 465 OD1 ASP A 29 0.950 -14.145 9.041 1.00 0.00 O ATOM 466 OD2 ASP A 29 2.094 -14.686 7.208 1.00 0.00 O ATOM 0 H ASP A 29 -2.605 -15.137 6.379 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.424 -14.279 8.842 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.436 -15.586 6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.161 -13.981 6.118 1.00 0.00 H new ATOM 471 N LEU A 30 -2.395 -11.882 8.413 1.00 0.00 N ATOM 472 CA LEU A 30 -2.573 -10.442 8.329 1.00 0.00 C ATOM 473 C LEU A 30 -1.312 -9.747 8.848 1.00 0.00 C ATOM 474 O LEU A 30 -1.140 -8.544 8.659 1.00 0.00 O ATOM 475 CB LEU A 30 -3.851 -10.018 9.053 1.00 0.00 C ATOM 476 CG LEU A 30 -5.106 -10.833 8.731 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.646 -11.526 9.983 1.00 0.00 C ATOM 478 CD2 LEU A 30 -6.168 -9.961 8.056 1.00 0.00 C ATOM 0 H LEU A 30 -2.928 -12.335 9.155 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.705 -10.133 7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.672 -10.073 10.127 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.050 -8.973 8.816 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.833 -11.615 8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.538 -12.098 9.726 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.887 -12.198 10.383 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.899 -10.777 10.733 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.049 -10.564 7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.444 -9.143 8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.768 -9.554 7.127 1.00 0.00 H new ATOM 490 N THR A 31 -0.464 -10.534 9.493 1.00 0.00 N ATOM 491 CA THR A 31 0.776 -10.009 10.042 1.00 0.00 C ATOM 492 C THR A 31 1.872 -10.006 8.974 1.00 0.00 C ATOM 493 O THR A 31 3.026 -9.695 9.265 1.00 0.00 O ATOM 494 CB THR A 31 1.133 -10.835 11.278 1.00 0.00 C ATOM 495 OG1 THR A 31 2.419 -10.352 11.658 1.00 0.00 O ATOM 496 CG2 THR A 31 1.372 -12.310 10.948 1.00 0.00 C ATOM 0 H THR A 31 -0.610 -11.531 9.648 1.00 0.00 H new ATOM 0 HA THR A 31 0.664 -8.970 10.351 1.00 0.00 H new ATOM 0 HB THR A 31 0.332 -10.753 12.013 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.724 -9.686 11.007 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.622 -12.851 11.861 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.469 -12.736 10.510 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.195 -12.395 10.239 1.00 0.00 H new ATOM 504 N ILE A 32 1.472 -10.356 7.761 1.00 0.00 N ATOM 505 CA ILE A 32 2.406 -10.398 6.648 1.00 0.00 C ATOM 506 C ILE A 32 1.727 -9.842 5.396 1.00 0.00 C ATOM 507 O ILE A 32 0.662 -10.315 5.000 1.00 0.00 O ATOM 508 CB ILE A 32 2.963 -11.813 6.469 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.207 -12.026 7.333 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.231 -12.114 4.993 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.055 -13.264 8.219 1.00 0.00 C ATOM 0 H ILE A 32 0.514 -10.613 7.524 1.00 0.00 H new ATOM 0 HA ILE A 32 3.269 -9.764 6.851 1.00 0.00 H new ATOM 0 HB ILE A 32 2.209 -12.523 6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.083 -12.137 6.694 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.376 -11.148 7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.626 -13.125 4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.301 -12.031 4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.957 -11.401 4.602 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.954 -13.392 8.823 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.193 -13.139 8.874 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.910 -14.144 7.593 1.00 0.00 H new ATOM 523 N PRO A 33 2.371 -8.845 4.805 1.00 0.00 N ATOM 524 CA PRO A 33 1.825 -8.200 3.568 1.00 0.00 C ATOM 525 C PRO A 33 1.664 -9.035 2.251 1.00 0.00 C ATOM 526 O PRO A 33 2.291 -10.082 2.094 1.00 0.00 O ATOM 527 CB PRO A 33 2.763 -6.985 3.389 1.00 0.00 C ATOM 528 CG PRO A 33 4.066 -7.353 4.102 1.00 0.00 C ATOM 529 CD PRO A 33 3.623 -8.241 5.262 1.00 0.00 C ATOM 0 HA PRO A 33 0.768 -7.985 3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.940 -6.780 2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.323 -6.085 3.819 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.749 -7.880 3.436 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.589 -6.465 4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.371 -9.001 5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.474 -7.660 6.172 1.00 0.00 H new ATOM 537 N VAL A 34 0.823 -8.525 1.364 1.00 0.00 N ATOM 538 CA VAL A 34 0.575 -9.191 0.097 1.00 0.00 C ATOM 539 C VAL A 34 0.962 -8.257 -1.050 1.00 0.00 C ATOM 540 O VAL A 34 1.556 -8.692 -2.036 1.00 0.00 O ATOM 541 CB VAL A 34 -0.882 -9.654 0.026 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.644 -8.897 -1.063 1.00 0.00 C ATOM 543 CG2 VAL A 34 -0.966 -11.166 -0.196 1.00 0.00 C ATOM 0 H VAL A 34 0.304 -7.657 1.498 1.00 0.00 H new ATOM 0 HA VAL A 34 1.191 -10.086 0.009 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.353 -9.429 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.677 -9.245 -1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.627 -7.829 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.172 -9.077 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.012 -11.469 -0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.471 -11.424 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.475 -11.683 0.629 1.00 0.00 H new ATOM 553 N LYS A 35 0.611 -6.991 -0.885 1.00 0.00 N ATOM 554 CA LYS A 35 0.915 -5.990 -1.894 1.00 0.00 C ATOM 555 C LYS A 35 1.431 -4.723 -1.212 1.00 0.00 C ATOM 556 O LYS A 35 1.078 -4.441 -0.067 1.00 0.00 O ATOM 557 CB LYS A 35 -0.299 -5.753 -2.795 1.00 0.00 C ATOM 558 CG LYS A 35 -0.882 -7.078 -3.290 1.00 0.00 C ATOM 559 CD LYS A 35 -1.119 -7.043 -4.802 1.00 0.00 C ATOM 560 CE LYS A 35 -0.141 -7.965 -5.532 1.00 0.00 C ATOM 561 NZ LYS A 35 0.997 -7.189 -6.072 1.00 0.00 N ATOM 0 H LYS A 35 0.118 -6.634 -0.066 1.00 0.00 H new ATOM 0 HA LYS A 35 1.709 -6.342 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.061 -5.199 -2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.009 -5.138 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.202 -7.893 -3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.821 -7.281 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.143 -7.347 -5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.005 -6.023 -5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.225 -8.731 -4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.655 -8.481 -6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.652 -7.830 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.644 -6.474 -6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.497 -6.717 -5.292 1.00 0.00 H new ATOM 575 N ARG A 36 2.259 -3.991 -1.943 1.00 0.00 N ATOM 576 CA ARG A 36 2.828 -2.759 -1.422 1.00 0.00 C ATOM 577 C ARG A 36 3.068 -1.764 -2.559 1.00 0.00 C ATOM 578 O ARG A 36 3.933 -1.981 -3.407 1.00 0.00 O ATOM 579 CB ARG A 36 4.150 -3.026 -0.699 1.00 0.00 C ATOM 580 CG ARG A 36 3.910 -3.362 0.775 1.00 0.00 C ATOM 581 CD ARG A 36 5.216 -3.303 1.571 1.00 0.00 C ATOM 582 NE ARG A 36 4.992 -3.794 2.949 1.00 0.00 N ATOM 583 CZ ARG A 36 5.794 -3.516 3.985 1.00 0.00 C ATOM 584 NH1 ARG A 36 6.879 -2.748 3.805 1.00 0.00 N ATOM 585 NH2 ARG A 36 5.513 -4.004 5.201 1.00 0.00 N ATOM 0 H ARG A 36 2.550 -4.227 -2.892 1.00 0.00 H new ATOM 0 HA ARG A 36 2.117 -2.339 -0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.674 -3.850 -1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.794 -2.150 -0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.190 -2.662 1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.474 -4.357 0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.978 -3.908 1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.590 -2.279 1.597 1.00 0.00 H new ATOM 0 HE ARG A 36 4.176 -4.381 3.121 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.093 -2.376 2.880 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.490 -2.536 4.594 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.688 -4.588 5.338 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.124 -3.792 5.989 1.00 0.00 H new ATOM 599 N GLY A 37 2.288 -0.693 -2.538 1.00 0.00 N ATOM 600 CA GLY A 37 2.406 0.337 -3.558 1.00 0.00 C ATOM 601 C GLY A 37 1.786 1.652 -3.081 1.00 0.00 C ATOM 602 O GLY A 37 1.645 1.877 -1.880 1.00 0.00 O ATOM 0 H GLY A 37 1.573 -0.516 -1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.457 0.493 -3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.912 0.008 -4.472 1.00 0.00 H new ATOM 606 N CYS A 38 1.432 2.487 -4.047 1.00 0.00 N ATOM 607 CA CYS A 38 0.831 3.773 -3.743 1.00 0.00 C ATOM 608 C CYS A 38 -0.499 3.872 -4.493 1.00 0.00 C ATOM 609 O CYS A 38 -0.698 3.197 -5.502 1.00 0.00 O ATOM 610 CB CYS A 38 1.768 4.933 -4.087 1.00 0.00 C ATOM 611 SG CYS A 38 3.503 4.701 -3.552 1.00 0.00 S ATOM 0 H CYS A 38 1.550 2.297 -5.042 1.00 0.00 H new ATOM 0 HA CYS A 38 0.649 3.846 -2.671 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.753 5.087 -5.166 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.380 5.843 -3.630 1.00 0.00 H new ATOM 616 N ILE A 39 -1.375 4.718 -3.971 1.00 0.00 N ATOM 617 CA ILE A 39 -2.680 4.914 -4.579 1.00 0.00 C ATOM 618 C ILE A 39 -3.133 6.358 -4.350 1.00 0.00 C ATOM 619 O ILE A 39 -2.444 7.130 -3.687 1.00 0.00 O ATOM 620 CB ILE A 39 -3.673 3.869 -4.067 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.823 3.674 -5.056 1.00 0.00 C ATOM 622 CG2 ILE A 39 -4.175 4.229 -2.668 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.102 2.187 -5.288 1.00 0.00 C ATOM 0 H ILE A 39 -1.207 5.276 -3.134 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.624 4.764 -5.657 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.153 2.915 -3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.721 4.161 -4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.578 4.154 -6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.879 3.470 -2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.331 4.276 -1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.673 5.198 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.924 2.077 -5.995 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.210 1.708 -5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.371 1.715 -4.343 1.00 0.00 H new ATOM 635 N ASP A 40 -4.290 6.677 -4.912 1.00 0.00 N ATOM 636 CA ASP A 40 -4.844 8.014 -4.777 1.00 0.00 C ATOM 637 C ASP A 40 -5.932 8.004 -3.701 1.00 0.00 C ATOM 638 O ASP A 40 -5.975 8.889 -2.849 1.00 0.00 O ATOM 639 CB ASP A 40 -5.479 8.482 -6.088 1.00 0.00 C ATOM 640 CG ASP A 40 -6.167 7.384 -6.902 1.00 0.00 C ATOM 641 OD1 ASP A 40 -7.348 7.109 -6.600 1.00 0.00 O ATOM 642 OD2 ASP A 40 -5.494 6.843 -7.807 1.00 0.00 O ATOM 0 H ASP A 40 -4.859 6.033 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.032 8.690 -4.508 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.210 9.259 -5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.706 8.941 -6.705 1.00 0.00 H new ATOM 647 N VAL A 41 -6.784 6.992 -3.777 1.00 0.00 N ATOM 648 CA VAL A 41 -7.869 6.855 -2.820 1.00 0.00 C ATOM 649 C VAL A 41 -7.714 5.534 -2.064 1.00 0.00 C ATOM 650 O VAL A 41 -7.148 4.577 -2.590 1.00 0.00 O ATOM 651 CB VAL A 41 -9.216 6.981 -3.534 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.265 6.072 -2.890 1.00 0.00 C ATOM 653 CG2 VAL A 41 -9.691 8.435 -3.558 1.00 0.00 C ATOM 0 H VAL A 41 -6.745 6.260 -4.486 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.831 7.657 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.079 6.657 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.213 6.181 -3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.934 5.035 -2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.396 6.352 -1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.651 8.496 -4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.802 8.798 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.959 9.048 -4.083 1.00 0.00 H new ATOM 663 N CYS A 42 -8.227 5.523 -0.843 1.00 0.00 N ATOM 664 CA CYS A 42 -8.153 4.335 -0.010 1.00 0.00 C ATOM 665 C CYS A 42 -9.176 3.321 -0.526 1.00 0.00 C ATOM 666 O CYS A 42 -10.381 3.532 -0.399 1.00 0.00 O ATOM 667 CB CYS A 42 -8.371 4.665 1.468 1.00 0.00 C ATOM 668 SG CYS A 42 -7.625 3.474 2.640 1.00 0.00 S ATOM 0 H CYS A 42 -8.696 6.319 -0.410 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.153 3.905 -0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.962 5.655 1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.443 4.718 1.659 1.00 0.00 H new ATOM 673 N PRO A 43 -8.659 2.244 -1.097 1.00 0.00 N ATOM 674 CA PRO A 43 -9.538 1.165 -1.650 1.00 0.00 C ATOM 675 C PRO A 43 -10.476 0.348 -0.695 1.00 0.00 C ATOM 676 O PRO A 43 -10.180 0.196 0.489 1.00 0.00 O ATOM 677 CB PRO A 43 -8.529 0.267 -2.401 1.00 0.00 C ATOM 678 CG PRO A 43 -7.255 1.101 -2.547 1.00 0.00 C ATOM 679 CD PRO A 43 -7.216 1.957 -1.282 1.00 0.00 C ATOM 0 HA PRO A 43 -10.320 1.630 -2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.334 -0.651 -1.846 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.918 -0.027 -3.376 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.372 0.467 -2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.285 1.719 -3.444 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.789 1.422 -0.434 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.628 2.865 -1.415 1.00 0.00 H new ATOM 687 N LYS A 44 -11.569 -0.139 -1.264 1.00 0.00 N ATOM 688 CA LYS A 44 -12.528 -0.916 -0.499 1.00 0.00 C ATOM 689 C LYS A 44 -11.919 -2.277 -0.158 1.00 0.00 C ATOM 690 O LYS A 44 -11.375 -2.954 -1.030 1.00 0.00 O ATOM 691 CB LYS A 44 -13.860 -1.008 -1.245 1.00 0.00 C ATOM 692 CG LYS A 44 -14.290 0.363 -1.771 1.00 0.00 C ATOM 693 CD LYS A 44 -14.299 0.384 -3.302 1.00 0.00 C ATOM 694 CE LYS A 44 -15.718 0.212 -3.845 1.00 0.00 C ATOM 695 NZ LYS A 44 -15.694 0.045 -5.315 1.00 0.00 N ATOM 0 H LYS A 44 -11.811 -0.010 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.752 -0.421 0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.768 -1.708 -2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.627 -1.403 -0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.284 0.606 -1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.611 1.129 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.881 1.325 -3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.661 -0.413 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.188 -0.656 -3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.322 1.080 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.666 -0.071 -5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.265 0.885 -5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.135 -0.797 -5.560 1.00 0.00 H new ATOM 709 N ASN A 45 -12.030 -2.639 1.111 1.00 0.00 N ATOM 710 CA ASN A 45 -11.497 -3.908 1.578 1.00 0.00 C ATOM 711 C ASN A 45 -12.539 -5.006 1.357 1.00 0.00 C ATOM 712 O ASN A 45 -13.724 -4.719 1.198 1.00 0.00 O ATOM 713 CB ASN A 45 -11.176 -3.855 3.073 1.00 0.00 C ATOM 714 CG ASN A 45 -10.648 -2.474 3.471 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.534 -2.091 3.150 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.505 -1.753 4.185 1.00 0.00 N ATOM 0 H ASN A 45 -12.482 -2.075 1.831 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.583 -4.115 1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.072 -4.086 3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.435 -4.616 3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.246 -0.818 4.500 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.422 -2.134 4.419 1.00 0.00 H new ATOM 723 N SER A 46 -12.059 -6.241 1.355 1.00 0.00 N ATOM 724 CA SER A 46 -12.935 -7.384 1.157 1.00 0.00 C ATOM 725 C SER A 46 -12.798 -8.357 2.330 1.00 0.00 C ATOM 726 O SER A 46 -11.989 -8.140 3.230 1.00 0.00 O ATOM 727 CB SER A 46 -12.623 -8.094 -0.162 1.00 0.00 C ATOM 728 OG SER A 46 -11.282 -8.574 -0.206 1.00 0.00 O ATOM 0 H SER A 46 -11.075 -6.475 1.487 1.00 0.00 H new ATOM 0 HA SER A 46 -13.963 -7.024 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.311 -8.929 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.790 -7.407 -0.992 1.00 0.00 H new ATOM 0 HG SER A 46 -11.123 -9.022 -1.063 1.00 0.00 H new ATOM 734 N LEU A 47 -13.601 -9.410 2.279 1.00 0.00 N ATOM 735 CA LEU A 47 -13.580 -10.418 3.326 1.00 0.00 C ATOM 736 C LEU A 47 -12.491 -11.447 3.014 1.00 0.00 C ATOM 737 O LEU A 47 -12.444 -12.512 3.629 1.00 0.00 O ATOM 738 CB LEU A 47 -14.970 -11.030 3.509 1.00 0.00 C ATOM 739 CG LEU A 47 -16.051 -10.089 4.044 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.449 -10.610 3.701 1.00 0.00 C ATOM 741 CD2 LEU A 47 -15.880 -9.853 5.545 1.00 0.00 C ATOM 0 H LEU A 47 -14.270 -9.587 1.530 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.328 -9.966 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.302 -11.423 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.885 -11.878 4.189 1.00 0.00 H new ATOM 0 HG LEU A 47 -15.937 -9.123 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.199 -9.923 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.554 -10.684 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.590 -11.594 4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.662 -9.181 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.952 -10.804 6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.904 -9.406 5.734 1.00 0.00 H new ATOM 753 N LEU A 48 -11.640 -11.093 2.062 1.00 0.00 N ATOM 754 CA LEU A 48 -10.555 -11.973 1.662 1.00 0.00 C ATOM 755 C LEU A 48 -9.218 -11.313 2.005 1.00 0.00 C ATOM 756 O LEU A 48 -8.386 -11.908 2.688 1.00 0.00 O ATOM 757 CB LEU A 48 -10.693 -12.356 0.187 1.00 0.00 C ATOM 758 CG LEU A 48 -12.058 -12.899 -0.241 1.00 0.00 C ATOM 759 CD1 LEU A 48 -12.439 -12.390 -1.631 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.088 -14.428 -0.162 1.00 0.00 C ATOM 0 H LEU A 48 -11.680 -10.208 1.556 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.599 -12.911 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.468 -11.478 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.937 -13.106 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.809 -12.525 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.413 -12.791 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.484 -11.301 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.692 -12.715 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.069 -14.789 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.325 -14.841 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.892 -14.743 0.863 1.00 0.00 H new ATOM 772 N VAL A 49 -9.053 -10.093 1.514 1.00 0.00 N ATOM 773 CA VAL A 49 -7.831 -9.347 1.760 1.00 0.00 C ATOM 774 C VAL A 49 -8.186 -7.943 2.252 1.00 0.00 C ATOM 775 O VAL A 49 -9.152 -7.343 1.783 1.00 0.00 O ATOM 776 CB VAL A 49 -6.961 -9.338 0.501 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.391 -7.943 0.239 1.00 0.00 C ATOM 778 CG2 VAL A 49 -5.844 -10.379 0.597 1.00 0.00 C ATOM 0 H VAL A 49 -9.745 -9.603 0.947 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.242 -9.826 2.542 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.594 -9.605 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.777 -7.964 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.209 -7.235 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.781 -7.634 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.241 -10.351 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.213 -10.158 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.280 -11.371 0.712 1.00 0.00 H new ATOM 788 N LYS A 50 -7.386 -7.459 3.191 1.00 0.00 N ATOM 789 CA LYS A 50 -7.604 -6.136 3.751 1.00 0.00 C ATOM 790 C LYS A 50 -6.601 -5.156 3.139 1.00 0.00 C ATOM 791 O LYS A 50 -5.425 -5.481 2.985 1.00 0.00 O ATOM 792 CB LYS A 50 -7.559 -6.188 5.279 1.00 0.00 C ATOM 793 CG LYS A 50 -8.054 -4.874 5.887 1.00 0.00 C ATOM 794 CD LYS A 50 -7.747 -4.814 7.385 1.00 0.00 C ATOM 795 CE LYS A 50 -8.462 -3.632 8.044 1.00 0.00 C ATOM 796 NZ LYS A 50 -8.172 -3.595 9.495 1.00 0.00 N ATOM 0 H LYS A 50 -6.586 -7.959 3.578 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.600 -5.773 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.175 -7.013 5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.539 -6.385 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.580 -4.033 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.128 -4.777 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.059 -5.744 7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.671 -4.723 7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.141 -2.700 7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.537 -3.714 7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.665 -2.787 9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.500 -4.477 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.147 -3.494 9.642 1.00 0.00 H new ATOM 810 N TYR A 51 -7.104 -3.977 2.805 1.00 0.00 N ATOM 811 CA TYR A 51 -6.267 -2.947 2.214 1.00 0.00 C ATOM 812 C TYR A 51 -6.042 -1.793 3.193 1.00 0.00 C ATOM 813 O TYR A 51 -6.998 -1.207 3.698 1.00 0.00 O ATOM 814 CB TYR A 51 -7.036 -2.426 0.998 1.00 0.00 C ATOM 815 CG TYR A 51 -7.386 -3.506 -0.027 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.262 -4.519 0.309 1.00 0.00 C ATOM 817 CD2 TYR A 51 -6.826 -3.468 -1.288 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.591 -5.536 -0.656 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.155 -4.485 -2.252 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.022 -5.468 -1.888 1.00 0.00 C ATOM 821 OH TYR A 51 -8.333 -6.429 -2.800 1.00 0.00 O ATOM 0 H TYR A 51 -8.081 -3.712 2.932 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.290 -3.352 1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.956 -1.952 1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.442 -1.654 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.700 -4.549 1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.141 -2.675 -1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.274 -6.334 -0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.723 -4.468 -3.242 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.854 -6.253 -3.637 1.00 0.00 H new ATOM 831 N VAL A 52 -4.772 -1.500 3.432 1.00 0.00 N ATOM 832 CA VAL A 52 -4.409 -0.428 4.342 1.00 0.00 C ATOM 833 C VAL A 52 -3.890 0.765 3.536 1.00 0.00 C ATOM 834 O VAL A 52 -3.505 0.616 2.378 1.00 0.00 O ATOM 835 CB VAL A 52 -3.401 -0.936 5.375 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.472 -0.112 6.662 1.00 0.00 C ATOM 837 CG2 VAL A 52 -3.613 -2.423 5.663 1.00 0.00 C ATOM 0 H VAL A 52 -3.981 -1.987 3.010 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.282 -0.089 4.900 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.402 -0.816 4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.745 -0.494 7.379 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.248 0.931 6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.473 -0.185 7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.884 -2.758 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.619 -2.578 6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.487 -2.993 4.743 1.00 0.00 H new ATOM 847 N CYS A 53 -3.897 1.922 4.181 1.00 0.00 N ATOM 848 CA CYS A 53 -3.432 3.140 3.538 1.00 0.00 C ATOM 849 C CYS A 53 -2.527 3.886 4.521 1.00 0.00 C ATOM 850 O CYS A 53 -2.563 3.627 5.724 1.00 0.00 O ATOM 851 CB CYS A 53 -4.598 4.009 3.064 1.00 0.00 C ATOM 852 SG CYS A 53 -5.778 3.167 1.949 1.00 0.00 S ATOM 0 H CYS A 53 -4.217 2.042 5.142 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.864 2.888 2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.140 4.372 3.937 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.196 4.883 2.552 1.00 0.00 H new ATOM 857 N CYS A 54 -1.737 4.797 3.973 1.00 0.00 N ATOM 858 CA CYS A 54 -0.825 5.582 4.786 1.00 0.00 C ATOM 859 C CYS A 54 -0.407 6.817 3.985 1.00 0.00 C ATOM 860 O CYS A 54 -0.501 6.826 2.758 1.00 0.00 O ATOM 861 CB CYS A 54 0.384 4.759 5.236 1.00 0.00 C ATOM 862 SG CYS A 54 1.130 3.715 3.932 1.00 0.00 S ATOM 0 H CYS A 54 -1.710 5.009 2.976 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.329 5.896 5.700 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.146 5.438 5.618 1.00 0.00 H new ATOM 0 HB3 CYS A 54 0.082 4.119 6.065 1.00 0.00 H new ATOM 867 N ASN A 55 0.044 7.830 4.709 1.00 0.00 N ATOM 868 CA ASN A 55 0.476 9.066 4.082 1.00 0.00 C ATOM 869 C ASN A 55 1.903 9.389 4.527 1.00 0.00 C ATOM 870 O ASN A 55 2.467 10.407 4.129 1.00 0.00 O ATOM 871 CB ASN A 55 -0.424 10.235 4.490 1.00 0.00 C ATOM 872 CG ASN A 55 -0.137 10.670 5.929 1.00 0.00 C ATOM 873 OD1 ASN A 55 0.454 11.705 6.186 1.00 0.00 O ATOM 874 ND2 ASN A 55 -0.589 9.823 6.849 1.00 0.00 N ATOM 0 H ASN A 55 0.120 7.820 5.726 1.00 0.00 H new ATOM 0 HA ASN A 55 0.424 8.931 3.002 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.265 11.075 3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.470 9.944 4.396 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.448 10.023 7.839 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.076 8.973 6.564 1.00 0.00 H new ATOM 881 N THR A 56 2.447 8.503 5.349 1.00 0.00 N ATOM 882 CA THR A 56 3.798 8.681 5.854 1.00 0.00 C ATOM 883 C THR A 56 4.800 7.934 4.971 1.00 0.00 C ATOM 884 O THR A 56 4.415 7.076 4.180 1.00 0.00 O ATOM 885 CB THR A 56 3.820 8.229 7.315 1.00 0.00 C ATOM 886 OG1 THR A 56 3.838 6.806 7.238 1.00 0.00 O ATOM 887 CG2 THR A 56 2.513 8.545 8.045 1.00 0.00 C ATOM 0 H THR A 56 1.977 7.660 5.678 1.00 0.00 H new ATOM 0 HA THR A 56 4.099 9.728 5.819 1.00 0.00 H new ATOM 0 HB THR A 56 4.650 8.711 7.831 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.855 6.430 8.143 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.581 8.204 9.078 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.338 9.621 8.029 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.687 8.036 7.549 1.00 0.00 H new ATOM 895 N ASP A 57 6.065 8.288 5.138 1.00 0.00 N ATOM 896 CA ASP A 57 7.126 7.661 4.367 1.00 0.00 C ATOM 897 C ASP A 57 7.425 6.279 4.950 1.00 0.00 C ATOM 898 O ASP A 57 7.077 5.995 6.094 1.00 0.00 O ATOM 899 CB ASP A 57 8.412 8.488 4.425 1.00 0.00 C ATOM 900 CG ASP A 57 8.203 10.001 4.522 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.456 10.414 5.435 1.00 0.00 O ATOM 902 OD2 ASP A 57 8.797 10.711 3.681 1.00 0.00 O ATOM 0 H ASP A 57 6.380 9.001 5.796 1.00 0.00 H new ATOM 0 HA ASP A 57 6.792 7.587 3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.998 8.161 5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.004 8.274 3.535 1.00 0.00 H new ATOM 907 N ARG A 58 8.070 5.457 4.136 1.00 0.00 N ATOM 908 CA ARG A 58 8.420 4.110 4.556 1.00 0.00 C ATOM 909 C ARG A 58 7.310 3.519 5.426 1.00 0.00 C ATOM 910 O ARG A 58 7.585 2.875 6.437 1.00 0.00 O ATOM 911 CB ARG A 58 9.733 4.104 5.342 1.00 0.00 C ATOM 912 CG ARG A 58 10.912 4.487 4.446 1.00 0.00 C ATOM 913 CD ARG A 58 12.139 4.860 5.281 1.00 0.00 C ATOM 914 NE ARG A 58 12.806 3.635 5.776 1.00 0.00 N ATOM 915 CZ ARG A 58 13.649 3.607 6.817 1.00 0.00 C ATOM 916 NH1 ARG A 58 13.934 4.736 7.480 1.00 0.00 N ATOM 917 NH2 ARG A 58 14.209 2.449 7.194 1.00 0.00 N ATOM 0 H ARG A 58 8.360 5.697 3.188 1.00 0.00 H new ATOM 0 HA ARG A 58 8.543 3.504 3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.664 4.802 6.176 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.902 3.115 5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.157 3.655 3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.632 5.327 3.810 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.835 5.445 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.840 5.486 6.122 1.00 0.00 H new ATOM 0 HE ARG A 58 12.612 2.757 5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.509 5.618 7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.576 4.714 8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.993 1.590 6.688 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.851 2.427 7.986 1.00 0.00 H new ATOM 931 N CYS A 59 6.078 3.759 5.000 1.00 0.00 N ATOM 932 CA CYS A 59 4.924 3.258 5.727 1.00 0.00 C ATOM 933 C CYS A 59 4.659 1.819 5.276 1.00 0.00 C ATOM 934 O CYS A 59 4.512 0.922 6.104 1.00 0.00 O ATOM 935 CB CYS A 59 3.699 4.153 5.530 1.00 0.00 C ATOM 936 SG CYS A 59 3.058 4.209 3.818 1.00 0.00 S ATOM 0 H CYS A 59 5.854 4.294 4.161 1.00 0.00 H new ATOM 0 HA CYS A 59 5.132 3.270 6.797 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.903 3.807 6.190 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.953 5.166 5.841 1.00 0.00 H new ATOM 941 N ASN A 60 4.606 1.646 3.963 1.00 0.00 N ATOM 942 CA ASN A 60 4.361 0.332 3.393 1.00 0.00 C ATOM 943 C ASN A 60 5.653 -0.196 2.768 1.00 0.00 C ATOM 944 O ASN A 60 6.307 0.504 1.998 1.00 0.00 O ATOM 945 CB ASN A 60 3.297 0.400 2.294 1.00 0.00 C ATOM 946 CG ASN A 60 3.841 1.100 1.047 1.00 0.00 C ATOM 947 OD1 ASN A 60 3.649 2.286 0.836 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.529 0.302 0.235 1.00 0.00 N ATOM 0 H ASN A 60 4.728 2.393 3.279 1.00 0.00 H new ATOM 0 HA ASN A 60 4.015 -0.324 4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.970 -0.607 2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.422 0.935 2.663 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.933 0.675 -0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.652 -0.682 0.472 1.00 0.00 H new