USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=15 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 Set 1.1: A 24 MET CE :methyl 154:sc= -0.446 (180deg=-2.93) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 158:sc= 0 (180deg=-0.135) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.72 K(o=-1.7,f=-7.9!) 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= -1.28 USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.19) USER MOD Single : A 19 ASN : amide:sc= -0.0823 X(o=-0.082,f=-0.074) 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 26 MET CE :methyl -127:sc= -0.0714 (180deg=-0.472) USER MOD Single : A 27 MET CE :methyl -168:sc= -0.0231 (180deg=-0.126) USER MOD Single : A 28 SER OG : rot 180:sc= -0.234 USER MOD Single : A 31 THR OG1 : rot -4:sc= 0.974 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0856) USER MOD Single : A 45 ASN : amide:sc= -0.917 K(o=-0.92,f=-5.2!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.293 USER MOD Single : A 50 LYS NZ :NH3+ 169:sc=-0.00499 (180deg=-0.125) USER MOD Single : A 55 ASN : amide:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.391 USER MOD Single : A 60 ASN : amide:sc= -9.69! C(o=-9.7!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.880 11.932 -1.428 1.00 0.00 N ATOM 2 CA LEU A 1 6.428 10.852 -0.569 1.00 0.00 C ATOM 3 C LEU A 1 6.996 9.527 -1.080 1.00 0.00 C ATOM 4 O LEU A 1 6.579 9.030 -2.125 1.00 0.00 O ATOM 5 CB LEU A 1 4.901 10.863 -0.452 1.00 0.00 C ATOM 6 CG LEU A 1 4.328 11.535 0.797 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.867 10.878 2.069 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.589 13.042 0.775 1.00 0.00 C ATOM 0 H1 LEU A 1 6.235 12.742 -1.335 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.840 12.220 -1.148 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.890 11.609 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 1 6.803 10.990 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.493 11.365 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.547 9.832 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 1 3.247 11.395 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.444 11.375 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.588 9.824 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.953 10.966 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.172 13.497 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.663 13.225 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.118 13.480 -0.105 1.00 0.00 H new ATOM 20 N LYS A 2 7.939 8.991 -0.319 1.00 0.00 N ATOM 21 CA LYS A 2 8.569 7.733 -0.681 1.00 0.00 C ATOM 22 C LYS A 2 8.117 6.642 0.292 1.00 0.00 C ATOM 23 O LYS A 2 7.955 6.897 1.484 1.00 0.00 O ATOM 24 CB LYS A 2 10.088 7.897 -0.758 1.00 0.00 C ATOM 25 CG LYS A 2 10.464 9.193 -1.478 1.00 0.00 C ATOM 26 CD LYS A 2 11.909 9.592 -1.172 1.00 0.00 C ATOM 27 CE LYS A 2 12.310 10.845 -1.953 1.00 0.00 C ATOM 28 NZ LYS A 2 12.391 12.015 -1.050 1.00 0.00 N ATOM 0 H LYS A 2 8.282 9.406 0.547 1.00 0.00 H new ATOM 0 HA LYS A 2 8.254 7.423 -1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.508 7.900 0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.523 7.046 -1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.338 9.065 -2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.790 9.992 -1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.021 9.774 -0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.578 8.771 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.273 10.685 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.583 11.037 -2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.664 12.857 -1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.464 12.176 -0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.102 11.835 -0.312 1.00 0.00 H new ATOM 42 N CYS A 3 7.927 5.450 -0.253 1.00 0.00 N ATOM 43 CA CYS A 3 7.497 4.319 0.552 1.00 0.00 C ATOM 44 C CYS A 3 8.305 3.092 0.126 1.00 0.00 C ATOM 45 O CYS A 3 8.977 3.113 -0.904 1.00 0.00 O ATOM 46 CB CYS A 3 5.990 4.080 0.431 1.00 0.00 C ATOM 47 SG CYS A 3 4.964 5.051 1.593 1.00 0.00 S ATOM 0 H CYS A 3 8.063 5.242 -1.242 1.00 0.00 H new ATOM 0 HA CYS A 3 7.683 4.527 1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.680 4.313 -0.588 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.790 3.020 0.590 1.00 0.00 H new ATOM 52 N ASN A 4 8.214 2.052 0.942 1.00 0.00 N ATOM 53 CA ASN A 4 8.930 0.817 0.665 1.00 0.00 C ATOM 54 C ASN A 4 8.153 0.006 -0.374 1.00 0.00 C ATOM 55 O ASN A 4 6.996 0.308 -0.665 1.00 0.00 O ATOM 56 CB ASN A 4 9.066 -0.037 1.926 1.00 0.00 C ATOM 57 CG ASN A 4 9.240 0.841 3.167 1.00 0.00 C ATOM 58 OD1 ASN A 4 9.960 1.825 3.166 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.543 0.430 4.223 1.00 0.00 N ATOM 0 H ASN A 4 7.655 2.039 1.795 1.00 0.00 H new ATOM 0 HA ASN A 4 9.923 1.078 0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.182 -0.665 2.041 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.921 -0.705 1.826 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.593 0.948 5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.959 -0.403 4.156 1.00 0.00 H new ATOM 66 N LYS A 5 8.820 -1.007 -0.907 1.00 0.00 N ATOM 67 CA LYS A 5 8.207 -1.863 -1.908 1.00 0.00 C ATOM 68 C LYS A 5 7.614 -3.096 -1.223 1.00 0.00 C ATOM 69 O LYS A 5 7.304 -3.061 -0.033 1.00 0.00 O ATOM 70 CB LYS A 5 9.209 -2.197 -3.015 1.00 0.00 C ATOM 71 CG LYS A 5 9.811 -0.923 -3.611 1.00 0.00 C ATOM 72 CD LYS A 5 9.440 -0.781 -5.089 1.00 0.00 C ATOM 73 CE LYS A 5 7.938 -0.980 -5.298 1.00 0.00 C ATOM 74 NZ LYS A 5 7.393 0.074 -6.183 1.00 0.00 N ATOM 0 H LYS A 5 9.779 -1.254 -0.664 1.00 0.00 H new ATOM 0 HA LYS A 5 7.385 -1.344 -2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.004 -2.826 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.713 -2.770 -3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.454 -0.054 -3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.896 -0.945 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.733 0.205 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.993 -1.512 -5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.753 -1.961 -5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.425 -0.957 -4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.372 -0.076 -6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.553 1.007 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.870 0.033 -7.106 1.00 0.00 H new ATOM 88 N LEU A 6 7.475 -4.158 -2.004 1.00 0.00 N ATOM 89 CA LEU A 6 6.924 -5.399 -1.488 1.00 0.00 C ATOM 90 C LEU A 6 7.526 -5.686 -0.111 1.00 0.00 C ATOM 91 O LEU A 6 6.841 -6.191 0.777 1.00 0.00 O ATOM 92 CB LEU A 6 7.124 -6.533 -2.495 1.00 0.00 C ATOM 93 CG LEU A 6 5.993 -7.560 -2.582 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.727 -6.933 -3.168 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.436 -8.798 -3.366 1.00 0.00 C ATOM 0 H LEU A 6 7.735 -4.184 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 6 5.846 -5.310 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.266 -6.094 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.046 -7.057 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 6 5.751 -7.888 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.939 -7.684 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.402 -6.109 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.937 -6.559 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.614 -9.512 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.721 -8.506 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.289 -9.259 -2.867 1.00 0.00 H new ATOM 107 N VAL A 7 8.801 -5.350 0.023 1.00 0.00 N ATOM 108 CA VAL A 7 9.504 -5.565 1.277 1.00 0.00 C ATOM 109 C VAL A 7 10.415 -4.369 1.558 1.00 0.00 C ATOM 110 O VAL A 7 10.932 -3.746 0.630 1.00 0.00 O ATOM 111 CB VAL A 7 10.260 -6.895 1.232 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.378 -6.925 2.277 1.00 0.00 C ATOM 113 CG2 VAL A 7 9.304 -8.075 1.417 1.00 0.00 C ATOM 0 H VAL A 7 9.365 -4.931 -0.716 1.00 0.00 H new ATOM 0 HA VAL A 7 8.797 -5.636 2.104 1.00 0.00 H new ATOM 0 HB VAL A 7 10.719 -6.987 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.900 -7.881 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.082 -6.116 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.950 -6.800 3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.866 -9.008 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.803 -7.990 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.560 -8.069 0.620 1.00 0.00 H new ATOM 123 N PRO A 8 10.584 -4.082 2.840 1.00 0.00 N ATOM 124 CA PRO A 8 11.450 -2.937 3.267 1.00 0.00 C ATOM 125 C PRO A 8 12.971 -2.918 2.891 1.00 0.00 C ATOM 126 O PRO A 8 13.743 -2.140 3.450 1.00 0.00 O ATOM 127 CB PRO A 8 11.216 -2.898 4.795 1.00 0.00 C ATOM 128 CG PRO A 8 9.943 -3.707 5.044 1.00 0.00 C ATOM 129 CD PRO A 8 9.985 -4.811 3.989 1.00 0.00 C ATOM 0 HA PRO A 8 11.156 -2.052 2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.063 -3.327 5.331 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.102 -1.873 5.147 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.925 -4.121 6.052 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.052 -3.089 4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.595 -5.658 4.303 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.993 -5.200 3.759 1.00 0.00 H new ATOM 137 N ILE A 9 13.327 -3.784 1.953 1.00 0.00 N ATOM 138 CA ILE A 9 14.706 -3.876 1.503 1.00 0.00 C ATOM 139 C ILE A 9 14.891 -3.012 0.254 1.00 0.00 C ATOM 140 O ILE A 9 16.015 -2.791 -0.192 1.00 0.00 O ATOM 141 CB ILE A 9 15.107 -5.339 1.304 1.00 0.00 C ATOM 142 CG1 ILE A 9 16.539 -5.448 0.776 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.107 -6.064 0.402 1.00 0.00 C ATOM 144 CD1 ILE A 9 17.541 -4.887 1.787 1.00 0.00 C ATOM 0 H ILE A 9 12.684 -4.428 1.492 1.00 0.00 H new ATOM 0 HA ILE A 9 15.382 -3.484 2.263 1.00 0.00 H new ATOM 0 HB ILE A 9 15.083 -5.835 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.774 -6.491 0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.625 -4.906 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.416 -7.102 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.117 -6.032 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.075 -5.575 -0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 9 18.551 -4.977 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 9 17.318 -3.837 1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 9 17.469 -5.447 2.719 1.00 0.00 H new ATOM 156 N ALA A 10 13.768 -2.548 -0.276 1.00 0.00 N ATOM 157 CA ALA A 10 13.792 -1.713 -1.465 1.00 0.00 C ATOM 158 C ALA A 10 12.555 -0.812 -1.476 1.00 0.00 C ATOM 159 O ALA A 10 11.427 -1.299 -1.406 1.00 0.00 O ATOM 160 CB ALA A 10 13.879 -2.599 -2.710 1.00 0.00 C ATOM 0 H ALA A 10 12.837 -2.734 0.096 1.00 0.00 H new ATOM 0 HA ALA A 10 14.670 -1.067 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.897 -1.973 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.789 -3.197 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.013 -3.259 -2.748 1.00 0.00 H new ATOM 166 N TYR A 11 12.808 0.485 -1.563 1.00 0.00 N ATOM 167 CA TYR A 11 11.729 1.459 -1.584 1.00 0.00 C ATOM 168 C TYR A 11 11.835 2.369 -2.808 1.00 0.00 C ATOM 169 O TYR A 11 12.925 2.578 -3.339 1.00 0.00 O ATOM 170 CB TYR A 11 11.899 2.304 -0.319 1.00 0.00 C ATOM 171 CG TYR A 11 13.193 3.119 -0.285 1.00 0.00 C ATOM 172 CD1 TYR A 11 13.224 4.387 -0.832 1.00 0.00 C ATOM 173 CD2 TYR A 11 14.329 2.590 0.292 1.00 0.00 C ATOM 174 CE1 TYR A 11 14.441 5.154 -0.801 1.00 0.00 C ATOM 175 CE2 TYR A 11 15.546 3.359 0.324 1.00 0.00 C ATOM 176 CZ TYR A 11 15.542 4.603 -0.224 1.00 0.00 C ATOM 177 OH TYR A 11 16.692 5.329 -0.194 1.00 0.00 O ATOM 0 H TYR A 11 13.745 0.885 -1.620 1.00 0.00 H new ATOM 0 HA TYR A 11 10.762 0.959 -1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.051 2.984 -0.232 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.872 1.647 0.551 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.335 4.803 -1.283 1.00 0.00 H new ATOM 0 HD2 TYR A 11 14.306 1.599 0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.479 6.146 -1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.442 2.956 0.773 1.00 0.00 H new ATOM 0 HH TYR A 11 17.395 4.810 0.249 1.00 0.00 H new ATOM 187 N LYS A 12 10.688 2.886 -3.223 1.00 0.00 N ATOM 188 CA LYS A 12 10.638 3.769 -4.376 1.00 0.00 C ATOM 189 C LYS A 12 9.732 4.960 -4.061 1.00 0.00 C ATOM 190 O LYS A 12 9.317 5.145 -2.918 1.00 0.00 O ATOM 191 CB LYS A 12 10.220 2.992 -5.627 1.00 0.00 C ATOM 192 CG LYS A 12 11.441 2.420 -6.350 1.00 0.00 C ATOM 193 CD LYS A 12 11.412 2.774 -7.839 1.00 0.00 C ATOM 194 CE LYS A 12 11.343 1.512 -8.700 1.00 0.00 C ATOM 195 NZ LYS A 12 11.436 1.859 -10.137 1.00 0.00 N ATOM 0 H LYS A 12 9.786 2.710 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 12 11.628 4.170 -4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.546 2.182 -5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.669 3.649 -6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.352 2.811 -5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.465 1.337 -6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.552 3.409 -8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.302 3.347 -8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.154 0.836 -8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.409 0.984 -8.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.388 0.991 -10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.648 2.487 -10.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.338 2.343 -10.320 1.00 0.00 H new ATOM 209 N THR A 13 9.451 5.739 -5.095 1.00 0.00 N ATOM 210 CA THR A 13 8.602 6.909 -4.943 1.00 0.00 C ATOM 211 C THR A 13 7.180 6.600 -5.419 1.00 0.00 C ATOM 212 O THR A 13 6.992 5.881 -6.399 1.00 0.00 O ATOM 213 CB THR A 13 9.256 8.069 -5.695 1.00 0.00 C ATOM 214 OG1 THR A 13 9.980 8.770 -4.688 1.00 0.00 O ATOM 215 CG2 THR A 13 8.235 9.090 -6.200 1.00 0.00 C ATOM 0 H THR A 13 9.796 5.583 -6.042 1.00 0.00 H new ATOM 0 HA THR A 13 8.506 7.196 -3.896 1.00 0.00 H new ATOM 0 HB THR A 13 9.826 7.680 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.437 9.538 -5.089 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.752 9.892 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.537 8.601 -6.880 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.687 9.505 -5.354 1.00 0.00 H new ATOM 223 N CYS A 14 6.217 7.161 -4.703 1.00 0.00 N ATOM 224 CA CYS A 14 4.818 6.956 -5.040 1.00 0.00 C ATOM 225 C CYS A 14 4.543 7.634 -6.384 1.00 0.00 C ATOM 226 O CYS A 14 4.521 8.860 -6.472 1.00 0.00 O ATOM 227 CB CYS A 14 3.890 7.474 -3.939 1.00 0.00 C ATOM 228 SG CYS A 14 4.006 6.572 -2.351 1.00 0.00 S ATOM 0 H CYS A 14 6.377 7.757 -3.891 1.00 0.00 H new ATOM 0 HA CYS A 14 4.614 5.889 -5.125 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.113 8.526 -3.760 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.861 7.422 -4.296 1.00 0.00 H new ATOM 233 N PRO A 15 4.339 6.805 -7.397 1.00 0.00 N ATOM 234 CA PRO A 15 4.058 7.324 -8.774 1.00 0.00 C ATOM 235 C PRO A 15 2.981 8.443 -8.988 1.00 0.00 C ATOM 236 O PRO A 15 2.280 8.822 -8.051 1.00 0.00 O ATOM 237 CB PRO A 15 3.733 6.031 -9.555 1.00 0.00 C ATOM 238 CG PRO A 15 3.422 4.971 -8.498 1.00 0.00 C ATOM 239 CD PRO A 15 4.339 5.322 -7.328 1.00 0.00 C ATOM 0 HA PRO A 15 4.922 7.896 -9.112 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.883 6.180 -10.221 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.576 5.728 -10.177 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.373 4.999 -8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.621 3.967 -8.872 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.953 4.954 -6.377 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.339 4.904 -7.449 1.00 0.00 H new ATOM 247 N GLU A 16 2.903 8.917 -10.223 1.00 0.00 N ATOM 248 CA GLU A 16 1.949 9.957 -10.566 1.00 0.00 C ATOM 249 C GLU A 16 0.519 9.458 -10.350 1.00 0.00 C ATOM 250 O GLU A 16 0.190 8.330 -10.713 1.00 0.00 O ATOM 251 CB GLU A 16 2.151 10.433 -12.006 1.00 0.00 C ATOM 252 CG GLU A 16 3.526 11.083 -12.182 1.00 0.00 C ATOM 253 CD GLU A 16 3.446 12.596 -11.969 1.00 0.00 C ATOM 254 OE1 GLU A 16 2.800 12.996 -10.977 1.00 0.00 O ATOM 255 OE2 GLU A 16 4.035 13.317 -12.803 1.00 0.00 O ATOM 0 H GLU A 16 3.485 8.600 -10.998 1.00 0.00 H new ATOM 0 HA GLU A 16 2.119 10.810 -9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.054 9.589 -12.689 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.371 11.147 -12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.231 10.649 -11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.907 10.872 -13.181 1.00 0.00 H new ATOM 262 N GLY A 17 -0.292 10.322 -9.757 1.00 0.00 N ATOM 263 CA GLY A 17 -1.679 9.984 -9.488 1.00 0.00 C ATOM 264 C GLY A 17 -1.845 9.446 -8.065 1.00 0.00 C ATOM 265 O GLY A 17 -2.910 9.588 -7.465 1.00 0.00 O ATOM 0 H GLY A 17 -0.015 11.256 -9.455 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.305 10.866 -9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.021 9.238 -10.205 1.00 0.00 H new ATOM 269 N LYS A 18 -0.777 8.841 -7.566 1.00 0.00 N ATOM 270 CA LYS A 18 -0.791 8.282 -6.225 1.00 0.00 C ATOM 271 C LYS A 18 0.060 9.158 -5.303 1.00 0.00 C ATOM 272 O LYS A 18 1.261 9.309 -5.521 1.00 0.00 O ATOM 273 CB LYS A 18 -0.359 6.815 -6.252 1.00 0.00 C ATOM 274 CG LYS A 18 -1.027 6.068 -7.408 1.00 0.00 C ATOM 275 CD LYS A 18 -0.396 4.688 -7.606 1.00 0.00 C ATOM 276 CE LYS A 18 -1.455 3.650 -7.986 1.00 0.00 C ATOM 277 NZ LYS A 18 -0.976 2.284 -7.674 1.00 0.00 N ATOM 0 H LYS A 18 0.104 8.726 -8.067 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.804 8.284 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.725 6.753 -6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.620 6.338 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.093 5.959 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.933 6.650 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.364 4.740 -8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.108 4.380 -6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.380 3.850 -7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.684 3.728 -9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.772 1.616 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.245 2.007 -8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.574 2.268 -6.715 1.00 0.00 H new ATOM 291 N ASN A 19 -0.596 9.711 -4.294 1.00 0.00 N ATOM 292 CA ASN A 19 0.086 10.568 -3.338 1.00 0.00 C ATOM 293 C ASN A 19 0.155 9.859 -1.984 1.00 0.00 C ATOM 294 O ASN A 19 1.046 10.132 -1.181 1.00 0.00 O ATOM 295 CB ASN A 19 -0.667 11.885 -3.143 1.00 0.00 C ATOM 296 CG ASN A 19 -0.086 12.681 -1.973 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.009 13.216 -2.036 1.00 0.00 O ATOM 298 ND2 ASN A 19 -0.878 12.730 -0.906 1.00 0.00 N ATOM 0 H ASN A 19 -1.592 9.583 -4.117 1.00 0.00 H new ATOM 0 HA ASN A 19 1.084 10.777 -3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.610 12.479 -4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.722 11.681 -2.960 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.581 13.238 -0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.783 12.260 -0.920 1.00 0.00 H new ATOM 305 N LEU A 20 -0.797 8.961 -1.771 1.00 0.00 N ATOM 306 CA LEU A 20 -0.854 8.211 -0.528 1.00 0.00 C ATOM 307 C LEU A 20 -0.273 6.813 -0.754 1.00 0.00 C ATOM 308 O LEU A 20 -0.152 6.364 -1.892 1.00 0.00 O ATOM 309 CB LEU A 20 -2.280 8.203 0.026 1.00 0.00 C ATOM 310 CG LEU A 20 -2.927 9.573 0.235 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.013 9.832 -0.810 1.00 0.00 C ATOM 312 CD2 LEU A 20 -3.458 9.717 1.663 1.00 0.00 C ATOM 0 H LEU A 20 -1.535 8.736 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.242 8.691 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.909 7.626 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.275 7.677 0.980 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.161 10.337 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.457 10.813 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.573 9.802 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.784 9.066 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.913 10.700 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.204 8.946 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.635 9.608 2.370 1.00 0.00 H new ATOM 324 N CYS A 21 0.071 6.166 0.350 1.00 0.00 N ATOM 325 CA CYS A 21 0.637 4.829 0.287 1.00 0.00 C ATOM 326 C CYS A 21 -0.444 3.831 0.704 1.00 0.00 C ATOM 327 O CYS A 21 -1.291 4.139 1.541 1.00 0.00 O ATOM 328 CB CYS A 21 1.893 4.704 1.152 1.00 0.00 C ATOM 329 SG CYS A 21 3.446 5.211 0.328 1.00 0.00 S ATOM 0 H CYS A 21 -0.031 6.542 1.292 1.00 0.00 H new ATOM 0 HA CYS A 21 0.956 4.614 -0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.760 5.308 2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.992 3.668 1.477 1.00 0.00 H new ATOM 334 N TYR A 22 -0.382 2.653 0.098 1.00 0.00 N ATOM 335 CA TYR A 22 -1.346 1.607 0.396 1.00 0.00 C ATOM 336 C TYR A 22 -0.651 0.255 0.570 1.00 0.00 C ATOM 337 O TYR A 22 0.470 0.063 0.100 1.00 0.00 O ATOM 338 CB TYR A 22 -2.279 1.536 -0.814 1.00 0.00 C ATOM 339 CG TYR A 22 -1.851 0.516 -1.871 1.00 0.00 C ATOM 340 CD1 TYR A 22 -0.902 0.856 -2.814 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.413 -0.745 -1.880 1.00 0.00 C ATOM 342 CE1 TYR A 22 -0.498 -0.105 -3.808 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.009 -1.705 -2.875 1.00 0.00 C ATOM 344 CZ TYR A 22 -1.073 -1.337 -3.790 1.00 0.00 C ATOM 345 OH TYR A 22 -0.691 -2.244 -4.729 1.00 0.00 O ATOM 0 H TYR A 22 0.320 2.401 -0.597 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.878 1.828 1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.284 1.289 -0.471 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.334 2.522 -1.276 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.462 1.842 -2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.155 -1.011 -1.142 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.245 0.147 -4.551 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.440 -2.695 -2.894 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.183 -3.081 -4.595 1.00 0.00 H new ATOM 355 N LYS A 23 -1.345 -0.649 1.246 1.00 0.00 N ATOM 356 CA LYS A 23 -0.809 -1.978 1.487 1.00 0.00 C ATOM 357 C LYS A 23 -1.964 -2.958 1.700 1.00 0.00 C ATOM 358 O LYS A 23 -2.790 -2.766 2.591 1.00 0.00 O ATOM 359 CB LYS A 23 0.194 -1.949 2.642 1.00 0.00 C ATOM 360 CG LYS A 23 -0.439 -1.361 3.904 1.00 0.00 C ATOM 361 CD LYS A 23 0.632 -0.890 4.888 1.00 0.00 C ATOM 362 CE LYS A 23 0.656 0.637 4.984 1.00 0.00 C ATOM 363 NZ LYS A 23 0.528 1.070 6.393 1.00 0.00 N ATOM 0 H LYS A 23 -2.274 -0.487 1.634 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.250 -2.327 0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.548 -2.959 2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.064 -1.357 2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.084 -0.524 3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.071 -2.110 4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.439 -1.317 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.609 -1.253 4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.586 1.019 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.158 1.057 4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.546 2.109 6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.371 0.721 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.319 0.685 6.948 1.00 0.00 H new ATOM 377 N MET A 24 -1.986 -3.988 0.866 1.00 0.00 N ATOM 378 CA MET A 24 -3.026 -4.999 0.952 1.00 0.00 C ATOM 379 C MET A 24 -2.479 -6.299 1.543 1.00 0.00 C ATOM 380 O MET A 24 -1.428 -6.781 1.125 1.00 0.00 O ATOM 381 CB MET A 24 -3.590 -5.269 -0.444 1.00 0.00 C ATOM 382 CG MET A 24 -4.292 -4.029 -1.002 1.00 0.00 C ATOM 383 SD MET A 24 -4.561 -4.218 -2.757 1.00 0.00 S ATOM 384 CE MET A 24 -5.282 -5.851 -2.785 1.00 0.00 C ATOM 0 H MET A 24 -1.300 -4.144 0.127 1.00 0.00 H new ATOM 0 HA MET A 24 -3.815 -4.629 1.607 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.784 -5.567 -1.114 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.293 -6.101 -0.401 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.245 -3.881 -0.494 1.00 0.00 H new ATOM 0 HG3 MET A 24 -3.688 -3.142 -0.812 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.915 -5.954 -3.666 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.489 -6.598 -2.818 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.883 -5.999 -1.888 1.00 0.00 H new ATOM 394 N PHE A 25 -3.218 -6.830 2.507 1.00 0.00 N ATOM 395 CA PHE A 25 -2.819 -8.065 3.160 1.00 0.00 C ATOM 396 C PHE A 25 -3.965 -9.079 3.159 1.00 0.00 C ATOM 397 O PHE A 25 -5.119 -8.717 2.938 1.00 0.00 O ATOM 398 CB PHE A 25 -2.467 -7.713 4.607 1.00 0.00 C ATOM 399 CG PHE A 25 -1.611 -6.453 4.750 1.00 0.00 C ATOM 400 CD1 PHE A 25 -0.621 -6.199 3.853 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.840 -5.588 5.774 1.00 0.00 C ATOM 402 CE1 PHE A 25 0.174 -5.029 3.986 1.00 0.00 C ATOM 403 CE2 PHE A 25 -1.045 -4.418 5.907 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.056 -4.164 5.010 1.00 0.00 C ATOM 0 H PHE A 25 -4.090 -6.428 2.851 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.975 -8.509 2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.389 -7.579 5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.937 -8.553 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.439 -6.886 3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.626 -5.790 6.486 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.961 -4.827 3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.226 -3.731 6.720 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.548 -3.274 5.110 1.00 0.00 H new ATOM 414 N MET A 26 -3.606 -10.330 3.409 1.00 0.00 N ATOM 415 CA MET A 26 -4.589 -11.399 3.440 1.00 0.00 C ATOM 416 C MET A 26 -5.239 -11.507 4.821 1.00 0.00 C ATOM 417 O MET A 26 -4.671 -11.058 5.815 1.00 0.00 O ATOM 418 CB MET A 26 -3.912 -12.725 3.089 1.00 0.00 C ATOM 419 CG MET A 26 -3.423 -12.726 1.640 1.00 0.00 C ATOM 420 SD MET A 26 -3.319 -14.400 1.030 1.00 0.00 S ATOM 421 CE MET A 26 -5.052 -14.748 0.785 1.00 0.00 C ATOM 0 H MET A 26 -2.647 -10.627 3.592 1.00 0.00 H new ATOM 0 HA MET A 26 -5.367 -11.173 2.710 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.071 -12.896 3.760 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.613 -13.546 3.240 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.104 -12.145 1.018 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.446 -12.246 1.577 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.315 -15.670 1.304 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.648 -13.926 1.181 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.253 -14.861 -0.280 1.00 0.00 H new ATOM 431 N MET A 27 -6.423 -12.103 4.837 1.00 0.00 N ATOM 432 CA MET A 27 -7.156 -12.275 6.079 1.00 0.00 C ATOM 433 C MET A 27 -6.404 -13.201 7.037 1.00 0.00 C ATOM 434 O MET A 27 -6.432 -13.000 8.251 1.00 0.00 O ATOM 435 CB MET A 27 -8.537 -12.862 5.780 1.00 0.00 C ATOM 436 CG MET A 27 -9.540 -11.758 5.440 1.00 0.00 C ATOM 437 SD MET A 27 -10.021 -10.892 6.924 1.00 0.00 S ATOM 438 CE MET A 27 -10.056 -9.217 6.308 1.00 0.00 C ATOM 0 H MET A 27 -6.892 -12.472 4.010 1.00 0.00 H new ATOM 0 HA MET A 27 -7.261 -11.300 6.554 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.466 -13.563 4.948 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.891 -13.427 6.643 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.098 -11.060 4.729 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.418 -12.189 4.960 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.129 -8.523 7.145 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.142 -9.016 5.749 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.918 -9.088 5.654 1.00 0.00 H new ATOM 448 N SER A 28 -5.750 -14.196 6.455 1.00 0.00 N ATOM 449 CA SER A 28 -4.991 -15.153 7.242 1.00 0.00 C ATOM 450 C SER A 28 -3.734 -14.489 7.807 1.00 0.00 C ATOM 451 O SER A 28 -3.792 -13.812 8.832 1.00 0.00 O ATOM 452 CB SER A 28 -4.614 -16.378 6.405 1.00 0.00 C ATOM 453 OG SER A 28 -3.686 -17.221 7.082 1.00 0.00 O ATOM 0 H SER A 28 -5.730 -14.360 5.448 1.00 0.00 H new ATOM 0 HA SER A 28 -5.618 -15.489 8.068 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.514 -16.946 6.168 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.184 -16.052 5.458 1.00 0.00 H new ATOM 0 HG SER A 28 -3.472 -17.992 6.516 1.00 0.00 H new ATOM 459 N ASP A 29 -2.627 -14.703 7.111 1.00 0.00 N ATOM 460 CA ASP A 29 -1.357 -14.133 7.529 1.00 0.00 C ATOM 461 C ASP A 29 -1.336 -12.642 7.189 1.00 0.00 C ATOM 462 O ASP A 29 -0.756 -12.240 6.180 1.00 0.00 O ATOM 463 CB ASP A 29 -0.187 -14.801 6.805 1.00 0.00 C ATOM 464 CG ASP A 29 1.141 -14.779 7.564 1.00 0.00 C ATOM 465 OD1 ASP A 29 1.172 -14.135 8.635 1.00 0.00 O ATOM 466 OD2 ASP A 29 2.094 -15.408 7.056 1.00 0.00 O ATOM 0 H ASP A 29 -2.583 -15.264 6.260 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.253 -14.292 8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.452 -15.838 6.597 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.046 -14.309 5.843 1.00 0.00 H new ATOM 471 N LEU A 30 -1.974 -11.861 8.047 1.00 0.00 N ATOM 472 CA LEU A 30 -2.036 -10.423 7.850 1.00 0.00 C ATOM 473 C LEU A 30 -0.667 -9.811 8.160 1.00 0.00 C ATOM 474 O LEU A 30 -0.397 -8.668 7.795 1.00 0.00 O ATOM 475 CB LEU A 30 -3.180 -9.818 8.666 1.00 0.00 C ATOM 476 CG LEU A 30 -4.506 -10.577 8.627 1.00 0.00 C ATOM 477 CD1 LEU A 30 -4.858 -11.141 10.005 1.00 0.00 C ATOM 478 CD2 LEU A 30 -5.626 -9.698 8.065 1.00 0.00 C ATOM 0 H LEU A 30 -2.454 -12.197 8.882 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.262 -10.190 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.858 -9.742 9.705 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.355 -8.802 8.311 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.392 -11.425 7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.806 -11.676 9.948 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.074 -11.825 10.329 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.945 -10.324 10.721 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.558 -10.263 8.048 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.747 -8.816 8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.371 -9.388 7.051 1.00 0.00 H new ATOM 490 N THR A 31 0.159 -10.600 8.832 1.00 0.00 N ATOM 491 CA THR A 31 1.492 -10.150 9.195 1.00 0.00 C ATOM 492 C THR A 31 2.475 -10.419 8.054 1.00 0.00 C ATOM 493 O THR A 31 3.683 -10.250 8.218 1.00 0.00 O ATOM 494 CB THR A 31 1.880 -10.834 10.507 1.00 0.00 C ATOM 495 OG1 THR A 31 3.239 -10.454 10.708 1.00 0.00 O ATOM 496 CG2 THR A 31 1.935 -12.358 10.379 1.00 0.00 C ATOM 0 H THR A 31 -0.069 -11.547 9.134 1.00 0.00 H new ATOM 0 HA THR A 31 1.517 -9.072 9.354 1.00 0.00 H new ATOM 0 HB THR A 31 1.166 -10.560 11.284 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.551 -9.936 9.937 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.215 -12.794 11.338 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.956 -12.734 10.082 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.673 -12.633 9.626 1.00 0.00 H new ATOM 504 N ILE A 32 1.923 -10.834 6.924 1.00 0.00 N ATOM 505 CA ILE A 32 2.736 -11.130 5.757 1.00 0.00 C ATOM 506 C ILE A 32 2.063 -10.548 4.512 1.00 0.00 C ATOM 507 O ILE A 32 1.253 -11.216 3.870 1.00 0.00 O ATOM 508 CB ILE A 32 3.012 -12.632 5.662 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.320 -12.995 6.368 1.00 0.00 C ATOM 510 CG2 ILE A 32 2.997 -13.100 4.206 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.463 -14.511 6.513 1.00 0.00 C ATOM 0 H ILE A 32 0.921 -10.972 6.792 1.00 0.00 H new ATOM 0 HA ILE A 32 3.714 -10.656 5.843 1.00 0.00 H new ATOM 0 HB ILE A 32 2.211 -13.160 6.179 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.164 -12.599 5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.348 -12.528 7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.196 -14.171 4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.020 -12.896 3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.765 -12.567 3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.401 -14.741 7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.630 -14.901 7.099 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.459 -14.973 5.526 1.00 0.00 H new ATOM 523 N PRO A 33 2.423 -9.310 4.208 1.00 0.00 N ATOM 524 CA PRO A 33 1.847 -8.610 3.016 1.00 0.00 C ATOM 525 C PRO A 33 1.886 -9.296 1.606 1.00 0.00 C ATOM 526 O PRO A 33 2.740 -10.142 1.346 1.00 0.00 O ATOM 527 CB PRO A 33 2.592 -7.256 3.036 1.00 0.00 C ATOM 528 CG PRO A 33 3.067 -7.062 4.476 1.00 0.00 C ATOM 529 CD PRO A 33 3.384 -8.475 4.963 1.00 0.00 C ATOM 0 HA PRO A 33 0.763 -8.575 3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.434 -7.263 2.344 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.934 -6.443 2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.946 -6.419 4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.297 -6.593 5.089 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.416 -8.754 4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.244 -8.572 6.040 1.00 0.00 H new ATOM 537 N VAL A 34 0.948 -8.892 0.761 1.00 0.00 N ATOM 538 CA VAL A 34 0.863 -9.442 -0.581 1.00 0.00 C ATOM 539 C VAL A 34 1.102 -8.326 -1.601 1.00 0.00 C ATOM 540 O VAL A 34 1.666 -8.565 -2.667 1.00 0.00 O ATOM 541 CB VAL A 34 -0.479 -10.152 -0.772 1.00 0.00 C ATOM 542 CG1 VAL A 34 -0.727 -11.165 0.346 1.00 0.00 C ATOM 543 CG2 VAL A 34 -1.624 -9.141 -0.861 1.00 0.00 C ATOM 0 H VAL A 34 0.241 -8.190 0.980 1.00 0.00 H new ATOM 0 HA VAL A 34 1.637 -10.194 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.439 -10.698 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.687 -11.655 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.067 -11.912 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.738 -10.651 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.567 -9.670 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.665 -8.556 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.457 -8.475 -1.708 1.00 0.00 H new ATOM 553 N LYS A 35 0.658 -7.132 -1.237 1.00 0.00 N ATOM 554 CA LYS A 35 0.816 -5.979 -2.108 1.00 0.00 C ATOM 555 C LYS A 35 1.266 -4.776 -1.276 1.00 0.00 C ATOM 556 O LYS A 35 0.801 -4.583 -0.154 1.00 0.00 O ATOM 557 CB LYS A 35 -0.467 -5.730 -2.904 1.00 0.00 C ATOM 558 CG LYS A 35 -1.016 -7.036 -3.483 1.00 0.00 C ATOM 559 CD LYS A 35 -1.531 -6.830 -4.908 1.00 0.00 C ATOM 560 CE LYS A 35 -2.950 -7.382 -5.063 1.00 0.00 C ATOM 561 NZ LYS A 35 -3.075 -8.144 -6.326 1.00 0.00 N ATOM 0 H LYS A 35 0.189 -6.938 -0.352 1.00 0.00 H new ATOM 0 HA LYS A 35 1.593 -6.164 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.216 -5.271 -2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.267 -5.026 -3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.234 -7.796 -3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.823 -7.407 -2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.521 -5.768 -5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.865 -7.325 -5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.190 -8.026 -4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.668 -6.562 -5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.044 -8.511 -6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.866 -7.519 -7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.403 -8.938 -6.321 1.00 0.00 H new ATOM 575 N ARG A 36 2.167 -3.999 -1.860 1.00 0.00 N ATOM 576 CA ARG A 36 2.686 -2.821 -1.186 1.00 0.00 C ATOM 577 C ARG A 36 3.128 -1.774 -2.213 1.00 0.00 C ATOM 578 O ARG A 36 4.117 -1.970 -2.917 1.00 0.00 O ATOM 579 CB ARG A 36 3.873 -3.177 -0.288 1.00 0.00 C ATOM 580 CG ARG A 36 3.399 -3.624 1.095 1.00 0.00 C ATOM 581 CD ARG A 36 3.920 -2.685 2.184 1.00 0.00 C ATOM 582 NE ARG A 36 4.885 -3.400 3.050 1.00 0.00 N ATOM 583 CZ ARG A 36 4.542 -4.101 4.138 1.00 0.00 C ATOM 584 NH1 ARG A 36 3.254 -4.186 4.502 1.00 0.00 N ATOM 585 NH2 ARG A 36 5.484 -4.718 4.863 1.00 0.00 N ATOM 0 H ARG A 36 2.550 -4.162 -2.791 1.00 0.00 H new ATOM 0 HA ARG A 36 1.887 -2.414 -0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.458 -3.972 -0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.531 -2.314 -0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.310 -3.646 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.743 -4.640 1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.400 -1.818 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.089 -2.312 2.782 1.00 0.00 H new ATOM 0 HE ARG A 36 5.873 -3.356 2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.536 -3.717 3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.992 -4.720 5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.464 -4.654 4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.222 -5.252 5.692 1.00 0.00 H new ATOM 599 N GLY A 37 2.371 -0.688 -2.266 1.00 0.00 N ATOM 600 CA GLY A 37 2.672 0.389 -3.194 1.00 0.00 C ATOM 601 C GLY A 37 2.020 1.698 -2.744 1.00 0.00 C ATOM 602 O GLY A 37 1.963 1.990 -1.551 1.00 0.00 O ATOM 0 H GLY A 37 1.550 -0.531 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.752 0.522 -3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.317 0.125 -4.190 1.00 0.00 H new ATOM 606 N CYS A 38 1.543 2.451 -3.725 1.00 0.00 N ATOM 607 CA CYS A 38 0.896 3.722 -3.446 1.00 0.00 C ATOM 608 C CYS A 38 -0.417 3.775 -4.228 1.00 0.00 C ATOM 609 O CYS A 38 -0.623 2.995 -5.157 1.00 0.00 O ATOM 610 CB CYS A 38 1.808 4.905 -3.780 1.00 0.00 C ATOM 611 SG CYS A 38 3.499 4.789 -3.091 1.00 0.00 S ATOM 0 H CYS A 38 1.592 2.205 -4.714 1.00 0.00 H new ATOM 0 HA CYS A 38 0.685 3.800 -2.379 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.878 4.997 -4.864 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.343 5.819 -3.412 1.00 0.00 H new ATOM 616 N ILE A 39 -1.273 4.702 -3.824 1.00 0.00 N ATOM 617 CA ILE A 39 -2.561 4.867 -4.476 1.00 0.00 C ATOM 618 C ILE A 39 -3.030 6.315 -4.310 1.00 0.00 C ATOM 619 O ILE A 39 -2.408 7.093 -3.590 1.00 0.00 O ATOM 620 CB ILE A 39 -3.561 3.833 -3.956 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.691 3.608 -4.962 1.00 0.00 C ATOM 622 CG2 ILE A 39 -4.093 4.230 -2.577 1.00 0.00 C ATOM 623 CD1 ILE A 39 -4.955 2.114 -5.164 1.00 0.00 C ATOM 0 H ILE A 39 -1.100 5.347 -3.053 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.473 4.681 -5.546 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.040 2.883 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.599 4.097 -4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.431 4.067 -5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.802 3.478 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.264 4.299 -1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.593 5.196 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.763 1.981 -5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.052 1.632 -5.539 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.239 1.663 -4.213 1.00 0.00 H new ATOM 635 N ASP A 40 -4.123 6.630 -4.990 1.00 0.00 N ATOM 636 CA ASP A 40 -4.683 7.969 -4.927 1.00 0.00 C ATOM 637 C ASP A 40 -5.876 7.975 -3.969 1.00 0.00 C ATOM 638 O ASP A 40 -6.069 8.929 -3.218 1.00 0.00 O ATOM 639 CB ASP A 40 -5.177 8.425 -6.301 1.00 0.00 C ATOM 640 CG ASP A 40 -5.365 9.936 -6.453 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.112 10.642 -5.453 1.00 0.00 O ATOM 642 OD2 ASP A 40 -5.756 10.350 -7.565 1.00 0.00 O ATOM 0 H ASP A 40 -4.635 5.981 -5.587 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.900 8.645 -4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.469 8.085 -7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.127 7.933 -6.510 1.00 0.00 H new ATOM 647 N VAL A 41 -6.645 6.897 -4.028 1.00 0.00 N ATOM 648 CA VAL A 41 -7.814 6.765 -3.175 1.00 0.00 C ATOM 649 C VAL A 41 -7.705 5.475 -2.362 1.00 0.00 C ATOM 650 O VAL A 41 -7.179 4.474 -2.848 1.00 0.00 O ATOM 651 CB VAL A 41 -9.088 6.834 -4.020 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.217 7.530 -3.255 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.823 7.528 -5.357 1.00 0.00 C ATOM 0 H VAL A 41 -6.481 6.108 -4.653 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.865 7.591 -2.466 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.406 5.813 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.111 7.566 -3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.433 6.976 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.912 8.545 -3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.745 7.563 -5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.469 8.543 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.066 6.973 -5.911 1.00 0.00 H new ATOM 663 N CYS A 42 -8.209 5.538 -1.139 1.00 0.00 N ATOM 664 CA CYS A 42 -8.175 4.386 -0.254 1.00 0.00 C ATOM 665 C CYS A 42 -9.253 3.400 -0.706 1.00 0.00 C ATOM 666 O CYS A 42 -10.444 3.676 -0.579 1.00 0.00 O ATOM 667 CB CYS A 42 -8.350 4.792 1.211 1.00 0.00 C ATOM 668 SG CYS A 42 -7.549 3.677 2.419 1.00 0.00 S ATOM 0 H CYS A 42 -8.644 6.370 -0.739 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.198 3.907 -0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.950 5.797 1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.416 4.841 1.435 1.00 0.00 H new ATOM 673 N PRO A 43 -8.796 2.270 -1.226 1.00 0.00 N ATOM 674 CA PRO A 43 -9.735 1.210 -1.713 1.00 0.00 C ATOM 675 C PRO A 43 -10.680 0.471 -0.702 1.00 0.00 C ATOM 676 O PRO A 43 -10.438 0.486 0.504 1.00 0.00 O ATOM 677 CB PRO A 43 -8.785 0.241 -2.452 1.00 0.00 C ATOM 678 CG PRO A 43 -7.470 1.001 -2.633 1.00 0.00 C ATOM 679 CD PRO A 43 -7.377 1.894 -1.397 1.00 0.00 C ATOM 0 HA PRO A 43 -10.513 1.685 -2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.633 -0.672 -1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.201 -0.055 -3.415 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.622 0.319 -2.696 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.474 1.590 -3.550 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.982 1.363 -0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.736 2.760 -1.559 1.00 0.00 H new ATOM 687 N LYS A 44 -11.717 -0.143 -1.253 1.00 0.00 N ATOM 688 CA LYS A 44 -12.676 -0.867 -0.437 1.00 0.00 C ATOM 689 C LYS A 44 -12.063 -2.198 0.003 1.00 0.00 C ATOM 690 O LYS A 44 -11.470 -2.910 -0.807 1.00 0.00 O ATOM 691 CB LYS A 44 -14.006 -1.018 -1.179 1.00 0.00 C ATOM 692 CG LYS A 44 -14.453 0.316 -1.780 1.00 0.00 C ATOM 693 CD LYS A 44 -14.637 0.203 -3.295 1.00 0.00 C ATOM 694 CE LYS A 44 -15.054 1.545 -3.898 1.00 0.00 C ATOM 695 NZ LYS A 44 -16.439 1.884 -3.501 1.00 0.00 N ATOM 0 H LYS A 44 -11.914 -0.154 -2.254 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.905 -0.306 0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.903 -1.761 -1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.769 -1.386 -0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.389 0.631 -1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.714 1.085 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.707 -0.133 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.392 -0.550 -3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.372 2.328 -3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.982 1.500 -4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.766 2.705 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.062 1.072 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.463 2.113 -2.487 1.00 0.00 H new ATOM 709 N ASN A 45 -12.226 -2.494 1.284 1.00 0.00 N ATOM 710 CA ASN A 45 -11.696 -3.726 1.841 1.00 0.00 C ATOM 711 C ASN A 45 -12.705 -4.856 1.621 1.00 0.00 C ATOM 712 O ASN A 45 -13.903 -4.608 1.501 1.00 0.00 O ATOM 713 CB ASN A 45 -11.457 -3.593 3.346 1.00 0.00 C ATOM 714 CG ASN A 45 -10.855 -2.229 3.686 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.650 -2.038 3.701 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.759 -1.292 3.960 1.00 0.00 N ATOM 0 H ASN A 45 -12.718 -1.901 1.952 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.750 -3.941 1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.398 -3.723 3.880 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.787 -4.384 3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.458 -0.348 4.200 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.753 -1.518 3.930 1.00 0.00 H new ATOM 723 N SER A 46 -12.182 -6.073 1.575 1.00 0.00 N ATOM 724 CA SER A 46 -13.021 -7.241 1.372 1.00 0.00 C ATOM 725 C SER A 46 -12.834 -8.227 2.526 1.00 0.00 C ATOM 726 O SER A 46 -11.994 -8.014 3.399 1.00 0.00 O ATOM 727 CB SER A 46 -12.706 -7.920 0.038 1.00 0.00 C ATOM 728 OG SER A 46 -11.369 -8.409 -0.010 1.00 0.00 O ATOM 0 H SER A 46 -11.187 -6.275 1.675 1.00 0.00 H new ATOM 0 HA SER A 46 -14.061 -6.915 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.400 -8.746 -0.121 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.862 -7.211 -0.775 1.00 0.00 H new ATOM 0 HG SER A 46 -11.208 -8.837 -0.877 1.00 0.00 H new ATOM 734 N LEU A 47 -13.632 -9.285 2.493 1.00 0.00 N ATOM 735 CA LEU A 47 -13.564 -10.305 3.527 1.00 0.00 C ATOM 736 C LEU A 47 -12.471 -11.313 3.171 1.00 0.00 C ATOM 737 O LEU A 47 -12.341 -12.349 3.822 1.00 0.00 O ATOM 738 CB LEU A 47 -14.940 -10.939 3.743 1.00 0.00 C ATOM 739 CG LEU A 47 -16.036 -10.006 4.262 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.420 -10.489 3.826 1.00 0.00 C ATOM 741 CD2 LEU A 47 -15.938 -9.836 5.780 1.00 0.00 C ATOM 0 H LEU A 47 -14.328 -9.458 1.768 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.289 -9.862 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.273 -11.367 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.831 -11.765 4.446 1.00 0.00 H new ATOM 0 HG LEU A 47 -15.885 -9.022 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.180 -9.808 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.470 -10.515 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.597 -11.489 4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.728 -9.168 6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -16.048 -10.807 6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.967 -9.411 6.037 1.00 0.00 H new ATOM 753 N LEU A 48 -11.712 -10.976 2.139 1.00 0.00 N ATOM 754 CA LEU A 48 -10.634 -11.839 1.688 1.00 0.00 C ATOM 755 C LEU A 48 -9.291 -11.178 2.004 1.00 0.00 C ATOM 756 O LEU A 48 -8.404 -11.807 2.578 1.00 0.00 O ATOM 757 CB LEU A 48 -10.813 -12.196 0.211 1.00 0.00 C ATOM 758 CG LEU A 48 -12.168 -12.791 -0.176 1.00 0.00 C ATOM 759 CD1 LEU A 48 -12.956 -11.828 -1.065 1.00 0.00 C ATOM 760 CD2 LEU A 48 -11.996 -14.164 -0.829 1.00 0.00 C ATOM 0 H LEU A 48 -11.822 -10.116 1.602 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.656 -12.788 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.651 -11.296 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.034 -12.906 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.750 -12.937 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.915 -12.276 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.125 -10.894 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.390 -11.627 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.974 -14.566 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.388 -14.066 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.504 -14.840 -0.130 1.00 0.00 H new ATOM 772 N VAL A 49 -9.183 -9.917 1.614 1.00 0.00 N ATOM 773 CA VAL A 49 -7.964 -9.161 1.848 1.00 0.00 C ATOM 774 C VAL A 49 -8.312 -7.834 2.524 1.00 0.00 C ATOM 775 O VAL A 49 -9.436 -7.349 2.406 1.00 0.00 O ATOM 776 CB VAL A 49 -7.200 -8.982 0.534 1.00 0.00 C ATOM 777 CG1 VAL A 49 -7.175 -10.284 -0.268 1.00 0.00 C ATOM 778 CG2 VAL A 49 -7.793 -7.839 -0.293 1.00 0.00 C ATOM 0 H VAL A 49 -9.921 -9.399 1.137 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.302 -9.703 2.523 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.170 -8.720 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.626 -10.129 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.685 -11.062 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.196 -10.590 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.232 -7.733 -1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.836 -8.059 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.734 -6.910 0.275 1.00 0.00 H new ATOM 788 N LYS A 50 -7.326 -7.283 3.217 1.00 0.00 N ATOM 789 CA LYS A 50 -7.514 -6.020 3.912 1.00 0.00 C ATOM 790 C LYS A 50 -6.581 -4.969 3.310 1.00 0.00 C ATOM 791 O LYS A 50 -5.415 -5.251 3.035 1.00 0.00 O ATOM 792 CB LYS A 50 -7.338 -6.208 5.420 1.00 0.00 C ATOM 793 CG LYS A 50 -7.715 -4.933 6.178 1.00 0.00 C ATOM 794 CD LYS A 50 -7.859 -5.209 7.676 1.00 0.00 C ATOM 795 CE LYS A 50 -8.141 -3.918 8.446 1.00 0.00 C ATOM 796 NZ LYS A 50 -9.459 -3.363 8.063 1.00 0.00 N ATOM 0 H LYS A 50 -6.395 -7.688 3.312 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.533 -5.657 3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.959 -7.036 5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.304 -6.473 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.953 -4.171 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.651 -4.536 5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.668 -5.920 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.947 -5.670 8.054 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.120 -4.115 9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.359 -3.187 8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.718 -2.600 8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.409 -2.985 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.177 -4.114 8.104 1.00 0.00 H new ATOM 810 N TYR A 51 -7.128 -3.777 3.123 1.00 0.00 N ATOM 811 CA TYR A 51 -6.359 -2.680 2.558 1.00 0.00 C ATOM 812 C TYR A 51 -6.024 -1.638 3.627 1.00 0.00 C ATOM 813 O TYR A 51 -6.863 -1.311 4.465 1.00 0.00 O ATOM 814 CB TYR A 51 -7.256 -2.037 1.499 1.00 0.00 C ATOM 815 CG TYR A 51 -7.687 -2.993 0.384 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.501 -4.069 0.675 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.261 -2.779 -0.911 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.907 -4.969 -0.373 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.668 -3.680 -1.960 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.470 -4.730 -1.639 1.00 0.00 C ATOM 821 OH TYR A 51 -8.853 -5.579 -2.629 1.00 0.00 O ATOM 0 H TYR A 51 -8.095 -3.546 3.353 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.419 -3.044 2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.146 -1.638 1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.729 -1.192 1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.833 -4.236 1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.623 -1.937 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.544 -5.815 -0.159 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.343 -3.525 -2.978 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.467 -5.284 -3.480 1.00 0.00 H new ATOM 831 N VAL A 52 -4.796 -1.145 3.563 1.00 0.00 N ATOM 832 CA VAL A 52 -4.340 -0.147 4.514 1.00 0.00 C ATOM 833 C VAL A 52 -3.625 0.979 3.763 1.00 0.00 C ATOM 834 O VAL A 52 -2.732 0.722 2.958 1.00 0.00 O ATOM 835 CB VAL A 52 -3.463 -0.804 5.583 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.473 0.011 6.878 1.00 0.00 C ATOM 837 CG2 VAL A 52 -3.901 -2.246 5.839 1.00 0.00 C ATOM 0 H VAL A 52 -4.103 -1.419 2.867 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.187 0.298 5.036 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.439 -0.826 5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.842 -0.478 7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.091 1.013 6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.493 0.080 7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.262 -2.690 6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.936 -2.257 6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.818 -2.821 4.917 1.00 0.00 H new ATOM 847 N CYS A 53 -4.045 2.201 4.054 1.00 0.00 N ATOM 848 CA CYS A 53 -3.457 3.366 3.417 1.00 0.00 C ATOM 849 C CYS A 53 -2.618 4.111 4.457 1.00 0.00 C ATOM 850 O CYS A 53 -2.779 3.897 5.657 1.00 0.00 O ATOM 851 CB CYS A 53 -4.523 4.268 2.790 1.00 0.00 C ATOM 852 SG CYS A 53 -5.711 3.408 1.696 1.00 0.00 S ATOM 0 H CYS A 53 -4.786 2.409 4.723 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.816 3.048 2.595 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.077 4.760 3.589 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.025 5.051 2.218 1.00 0.00 H new ATOM 857 N CYS A 54 -1.743 4.971 3.959 1.00 0.00 N ATOM 858 CA CYS A 54 -0.878 5.748 4.830 1.00 0.00 C ATOM 859 C CYS A 54 -0.404 6.983 4.060 1.00 0.00 C ATOM 860 O CYS A 54 -0.482 7.021 2.833 1.00 0.00 O ATOM 861 CB CYS A 54 0.295 4.917 5.353 1.00 0.00 C ATOM 862 SG CYS A 54 1.110 3.866 4.097 1.00 0.00 S ATOM 0 H CYS A 54 -1.614 5.147 2.963 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.436 6.062 5.712 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.038 5.591 5.780 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.061 4.281 6.163 1.00 0.00 H new ATOM 867 N ASN A 55 0.077 7.962 4.812 1.00 0.00 N ATOM 868 CA ASN A 55 0.564 9.194 4.215 1.00 0.00 C ATOM 869 C ASN A 55 1.989 9.464 4.704 1.00 0.00 C ATOM 870 O ASN A 55 2.583 10.484 4.360 1.00 0.00 O ATOM 871 CB ASN A 55 -0.309 10.384 4.620 1.00 0.00 C ATOM 872 CG ASN A 55 0.002 10.830 6.050 1.00 0.00 C ATOM 873 OD1 ASN A 55 0.604 11.864 6.288 1.00 0.00 O ATOM 874 ND2 ASN A 55 -0.442 9.995 6.985 1.00 0.00 N ATOM 0 H ASN A 55 0.140 7.927 5.829 1.00 0.00 H new ATOM 0 HA ASN A 55 0.536 9.078 3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.142 11.213 3.932 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.361 10.111 4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.285 10.204 7.971 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.939 9.146 6.716 1.00 0.00 H new ATOM 881 N THR A 56 2.494 8.533 5.499 1.00 0.00 N ATOM 882 CA THR A 56 3.838 8.658 6.038 1.00 0.00 C ATOM 883 C THR A 56 4.842 7.936 5.138 1.00 0.00 C ATOM 884 O THR A 56 4.464 7.079 4.341 1.00 0.00 O ATOM 885 CB THR A 56 3.821 8.131 7.474 1.00 0.00 C ATOM 886 OG1 THR A 56 3.091 6.910 7.389 1.00 0.00 O ATOM 887 CG2 THR A 56 2.979 9.004 8.408 1.00 0.00 C ATOM 0 H THR A 56 1.997 7.689 5.783 1.00 0.00 H new ATOM 0 HA THR A 56 4.160 9.699 6.062 1.00 0.00 H new ATOM 0 HB THR A 56 4.842 8.075 7.851 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.034 6.501 8.278 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.000 8.586 9.414 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.386 10.015 8.426 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.950 9.034 8.049 1.00 0.00 H new ATOM 895 N ASP A 57 6.104 8.310 5.296 1.00 0.00 N ATOM 896 CA ASP A 57 7.166 7.708 4.507 1.00 0.00 C ATOM 897 C ASP A 57 7.473 6.312 5.054 1.00 0.00 C ATOM 898 O ASP A 57 7.167 6.011 6.205 1.00 0.00 O ATOM 899 CB ASP A 57 8.448 8.539 4.586 1.00 0.00 C ATOM 900 CG ASP A 57 8.469 9.784 3.696 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.388 10.120 3.167 1.00 0.00 O ATOM 902 OD2 ASP A 57 9.565 10.369 3.565 1.00 0.00 O ATOM 0 H ASP A 57 6.414 9.021 5.958 1.00 0.00 H new ATOM 0 HA ASP A 57 6.831 7.659 3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.599 8.848 5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.292 7.904 4.316 1.00 0.00 H new ATOM 907 N ARG A 58 8.074 5.497 4.200 1.00 0.00 N ATOM 908 CA ARG A 58 8.426 4.141 4.581 1.00 0.00 C ATOM 909 C ARG A 58 7.339 3.542 5.476 1.00 0.00 C ATOM 910 O ARG A 58 7.641 2.868 6.460 1.00 0.00 O ATOM 911 CB ARG A 58 9.764 4.106 5.323 1.00 0.00 C ATOM 912 CG ARG A 58 10.931 4.331 4.361 1.00 0.00 C ATOM 913 CD ARG A 58 12.019 5.189 5.009 1.00 0.00 C ATOM 914 NE ARG A 58 12.713 4.416 6.064 1.00 0.00 N ATOM 915 CZ ARG A 58 13.854 4.802 6.650 1.00 0.00 C ATOM 916 NH1 ARG A 58 14.437 5.954 6.289 1.00 0.00 N ATOM 917 NH2 ARG A 58 14.412 4.037 7.598 1.00 0.00 N ATOM 0 H ARG A 58 8.326 5.750 3.245 1.00 0.00 H new ATOM 0 HA ARG A 58 8.515 3.553 3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.774 4.872 6.098 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.881 3.145 5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.351 3.370 4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.571 4.818 3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.735 5.514 4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.577 6.089 5.437 1.00 0.00 H new ATOM 0 HE ARG A 58 12.296 3.534 6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.012 6.537 5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.306 6.248 6.735 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.968 3.161 7.873 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.281 4.331 8.044 1.00 0.00 H new ATOM 931 N CYS A 59 6.096 3.808 5.101 1.00 0.00 N ATOM 932 CA CYS A 59 4.962 3.305 5.857 1.00 0.00 C ATOM 933 C CYS A 59 4.668 1.878 5.389 1.00 0.00 C ATOM 934 O CYS A 59 4.532 0.969 6.205 1.00 0.00 O ATOM 935 CB CYS A 59 3.740 4.215 5.716 1.00 0.00 C ATOM 936 SG CYS A 59 3.045 4.311 4.027 1.00 0.00 S ATOM 0 H CYS A 59 5.850 4.366 4.283 1.00 0.00 H new ATOM 0 HA CYS A 59 5.205 3.295 6.919 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.962 3.863 6.394 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.014 5.220 6.039 1.00 0.00 H new ATOM 941 N ASN A 60 4.580 1.727 4.076 1.00 0.00 N ATOM 942 CA ASN A 60 4.305 0.426 3.489 1.00 0.00 C ATOM 943 C ASN A 60 5.594 -0.144 2.894 1.00 0.00 C ATOM 944 O ASN A 60 6.235 0.498 2.063 1.00 0.00 O ATOM 945 CB ASN A 60 3.274 0.536 2.364 1.00 0.00 C ATOM 946 CG ASN A 60 3.842 1.314 1.174 1.00 0.00 C ATOM 947 OD1 ASN A 60 3.773 2.530 1.104 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.405 0.545 0.246 1.00 0.00 N ATOM 0 H ASN A 60 4.694 2.484 3.402 1.00 0.00 H new ATOM 0 HA ASN A 60 3.915 -0.222 4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.974 -0.461 2.042 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.378 1.034 2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.813 0.968 -0.588 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.428 -0.467 0.368 1.00 0.00 H new