USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 749 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 95 SER OG : rot -78:sc= 1.03 USER MOD Set 1.2: A 98 GLN :FLIP amide:sc= 0.979 F(o=1.4,f=2) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 1.15 USER MOD Set 2.2: A 11 SER OG : rot -80:sc= 1.96 USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0215) USER MOD Single : A 6 HIS : no HE2:sc= -0.134 X(o=-0.13,f=-0.57) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.08) USER MOD Single : A 37 MET CE :methyl -177:sc= 0 (180deg=-0.0271) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 1.12 K(o=1.1,f=-0.0043) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 0.79 (180deg=0.726) USER MOD Single : A 59 ASN : amide:sc= 1.39 K(o=1.4,f=-8.5!) USER MOD Single : A 62 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 63 ASN : amide:sc= 1.67 K(o=1.7,f=-5.1!) USER MOD Single : A 66 THR OG1 : rot -58:sc= 1.32 USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0178) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 27:sc= 0.936 USER MOD Single : A 90 LYS NZ :NH3+ -173:sc= 1.04 (180deg=0.979) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 1.02 (180deg=1.02) USER MOD Single : A 100 LYS NZ :NH3+ -174:sc= 0.734 (180deg=0.683) USER MOD Single : A 106 ASN : amide:sc= 0.702 K(o=0.7,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 3 4.035 -8.838 1.760 1.00 0.00 N ATOM 25 CA LYS A 3 2.822 -8.388 2.429 1.00 0.00 C ATOM 26 C LYS A 3 2.040 -7.546 1.418 1.00 0.00 C ATOM 27 O LYS A 3 1.572 -6.455 1.737 1.00 0.00 O ATOM 28 CB LYS A 3 3.175 -7.586 3.693 1.00 0.00 C ATOM 29 CG LYS A 3 3.920 -8.424 4.741 1.00 0.00 C ATOM 30 CD LYS A 3 4.249 -7.544 5.956 1.00 0.00 C ATOM 31 CE LYS A 3 5.248 -8.229 6.894 1.00 0.00 C ATOM 32 NZ LYS A 3 4.728 -9.502 7.421 1.00 0.00 N ATOM 0 HA LYS A 3 2.213 -9.230 2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.790 -6.730 3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.260 -7.191 4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.308 -9.272 5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.836 -8.831 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.660 -6.593 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.333 -7.318 6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.180 -8.412 6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.482 -7.562 7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.398 -9.890 8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.809 -9.338 7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.609 -10.178 6.640 1.00 0.00 H new ATOM 46 N ILE A 4 1.937 -8.049 0.184 1.00 0.00 N ATOM 47 CA ILE A 4 1.270 -7.374 -0.915 1.00 0.00 C ATOM 48 C ILE A 4 -0.070 -8.039 -1.199 1.00 0.00 C ATOM 49 O ILE A 4 -0.151 -9.260 -1.322 1.00 0.00 O ATOM 50 CB ILE A 4 2.166 -7.360 -2.163 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.470 -6.614 -1.835 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.413 -6.719 -3.339 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.247 -6.190 -3.080 1.00 0.00 C ATOM 0 H ILE A 4 2.325 -8.956 -0.076 1.00 0.00 H new ATOM 0 HA ILE A 4 1.081 -6.338 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 4 2.422 -8.377 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.237 -5.730 -1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.103 -7.254 -1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.054 -6.712 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.511 -7.294 -3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.139 -5.696 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.156 -5.669 -2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.510 -7.073 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.630 -5.526 -3.685 1.00 0.00 H new ATOM 65 N ILE A 5 -1.117 -7.225 -1.344 1.00 0.00 N ATOM 66 CA ILE A 5 -2.447 -7.709 -1.689 1.00 0.00 C ATOM 67 C ILE A 5 -2.565 -7.798 -3.205 1.00 0.00 C ATOM 68 O ILE A 5 -1.984 -6.997 -3.928 1.00 0.00 O ATOM 69 CB ILE A 5 -3.532 -6.824 -1.042 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.319 -6.793 0.485 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.940 -7.334 -1.387 1.00 0.00 C ATOM 72 CD1 ILE A 5 -4.412 -6.024 1.229 1.00 0.00 C ATOM 0 H ILE A 5 -1.063 -6.213 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.603 -8.711 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.447 -5.812 -1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.282 -7.815 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.352 -6.339 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.685 -6.691 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.077 -7.319 -2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.058 -8.354 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.204 -6.039 2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.434 -4.992 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.378 -6.492 1.041 1.00 0.00 H new ATOM 84 N HIS A 6 -3.315 -8.786 -3.688 1.00 0.00 N ATOM 85 CA HIS A 6 -3.508 -9.042 -5.105 1.00 0.00 C ATOM 86 C HIS A 6 -4.979 -8.818 -5.423 1.00 0.00 C ATOM 87 O HIS A 6 -5.821 -9.657 -5.110 1.00 0.00 O ATOM 88 CB HIS A 6 -2.959 -10.438 -5.404 1.00 0.00 C ATOM 89 CG HIS A 6 -1.460 -10.450 -5.197 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.772 -10.898 -4.079 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.606 -9.658 -5.908 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.486 -10.416 -4.154 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.609 -9.676 -5.264 1.00 0.00 N ATOM 0 H HIS A 6 -3.814 -9.443 -3.088 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.962 -8.365 -5.761 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.432 -11.173 -4.752 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.197 -10.721 -6.429 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -1.149 -11.485 -3.335 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.841 -9.116 -6.812 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.270 -10.598 -3.433 1.00 0.00 H new ATOM 102 N LEU A 7 -5.276 -7.643 -5.982 1.00 0.00 N ATOM 103 CA LEU A 7 -6.624 -7.170 -6.242 1.00 0.00 C ATOM 104 C LEU A 7 -7.136 -7.546 -7.629 1.00 0.00 C ATOM 105 O LEU A 7 -6.368 -7.867 -8.537 1.00 0.00 O ATOM 106 CB LEU A 7 -6.633 -5.641 -6.120 1.00 0.00 C ATOM 107 CG LEU A 7 -6.169 -5.117 -4.755 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.121 -3.589 -4.813 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.135 -5.537 -3.649 1.00 0.00 C ATOM 0 H LEU A 7 -4.558 -6.979 -6.273 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.281 -7.645 -5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.991 -5.222 -6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.643 -5.278 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.186 -5.533 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.793 -3.198 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.422 -3.276 -5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.114 -3.202 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.782 -5.152 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.126 -5.134 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.188 -6.625 -3.606 1.00 0.00 H new ATOM 121 N THR A 8 -8.455 -7.431 -7.780 1.00 0.00 N ATOM 122 CA THR A 8 -9.202 -7.613 -9.010 1.00 0.00 C ATOM 123 C THR A 8 -10.201 -6.460 -9.079 1.00 0.00 C ATOM 124 O THR A 8 -10.463 -5.817 -8.062 1.00 0.00 O ATOM 125 CB THR A 8 -9.929 -8.968 -9.017 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.916 -9.020 -7.999 1.00 0.00 O ATOM 127 CG2 THR A 8 -8.951 -10.131 -8.831 1.00 0.00 C ATOM 0 H THR A 8 -9.061 -7.194 -6.995 1.00 0.00 H new ATOM 0 HA THR A 8 -8.539 -7.612 -9.875 1.00 0.00 H new ATOM 0 HB THR A 8 -10.409 -9.066 -9.991 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.366 -9.890 -8.024 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.500 -11.073 -8.841 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.222 -10.127 -9.642 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.434 -10.023 -7.878 1.00 0.00 H new ATOM 135 N ASP A 9 -10.783 -6.202 -10.252 1.00 0.00 N ATOM 136 CA ASP A 9 -11.776 -5.145 -10.407 1.00 0.00 C ATOM 137 C ASP A 9 -12.909 -5.341 -9.393 1.00 0.00 C ATOM 138 O ASP A 9 -13.331 -4.403 -8.722 1.00 0.00 O ATOM 139 CB ASP A 9 -12.322 -5.147 -11.838 1.00 0.00 C ATOM 140 CG ASP A 9 -13.192 -3.919 -12.081 1.00 0.00 C ATOM 141 OD1 ASP A 9 -12.594 -2.856 -12.366 1.00 0.00 O ATOM 142 OD2 ASP A 9 -14.427 -4.061 -11.975 1.00 0.00 O ATOM 0 H ASP A 9 -10.580 -6.715 -11.110 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.307 -4.179 -10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.496 -5.160 -12.549 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.905 -6.052 -12.010 1.00 0.00 H new ATOM 147 N ASP A 10 -13.379 -6.586 -9.291 1.00 0.00 N ATOM 148 CA ASP A 10 -14.457 -7.006 -8.407 1.00 0.00 C ATOM 149 C ASP A 10 -14.137 -6.725 -6.937 1.00 0.00 C ATOM 150 O ASP A 10 -14.993 -6.243 -6.201 1.00 0.00 O ATOM 151 CB ASP A 10 -14.733 -8.504 -8.599 1.00 0.00 C ATOM 152 CG ASP A 10 -15.002 -8.865 -10.057 1.00 0.00 C ATOM 153 OD1 ASP A 10 -14.005 -8.913 -10.811 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.187 -9.077 -10.388 1.00 0.00 O ATOM 0 H ASP A 10 -13.002 -7.355 -9.845 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.342 -6.427 -8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.879 -9.077 -8.238 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.591 -8.793 -7.992 1.00 0.00 H new ATOM 159 N SER A 11 -12.914 -7.037 -6.498 1.00 0.00 N ATOM 160 CA SER A 11 -12.536 -6.863 -5.098 1.00 0.00 C ATOM 161 C SER A 11 -12.219 -5.400 -4.788 1.00 0.00 C ATOM 162 O SER A 11 -12.437 -4.949 -3.663 1.00 0.00 O ATOM 163 CB SER A 11 -11.351 -7.775 -4.766 1.00 0.00 C ATOM 164 OG SER A 11 -10.307 -7.625 -5.706 1.00 0.00 O ATOM 0 H SER A 11 -12.173 -7.410 -7.092 1.00 0.00 H new ATOM 0 HA SER A 11 -13.380 -7.146 -4.468 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.980 -7.543 -3.768 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.682 -8.813 -4.750 1.00 0.00 H new ATOM 0 HG SER A 11 -10.519 -8.137 -6.515 1.00 0.00 H new ATOM 170 N PHE A 12 -11.696 -4.675 -5.779 1.00 0.00 N ATOM 171 CA PHE A 12 -11.284 -3.283 -5.700 1.00 0.00 C ATOM 172 C PHE A 12 -12.111 -2.416 -4.750 1.00 0.00 C ATOM 173 O PHE A 12 -11.554 -1.765 -3.873 1.00 0.00 O ATOM 174 CB PHE A 12 -11.274 -2.657 -7.100 1.00 0.00 C ATOM 175 CG PHE A 12 -10.286 -1.519 -7.211 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.603 -0.242 -6.712 1.00 0.00 C ATOM 177 CD2 PHE A 12 -8.974 -1.808 -7.616 1.00 0.00 C ATOM 178 CE1 PHE A 12 -9.601 0.740 -6.622 1.00 0.00 C ATOM 179 CE2 PHE A 12 -8.005 -0.796 -7.628 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.314 0.475 -7.121 1.00 0.00 C ATOM 0 H PHE A 12 -11.543 -5.071 -6.707 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.280 -3.305 -5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.028 -3.422 -7.836 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.273 -2.293 -7.340 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.612 -0.017 -6.399 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.711 -2.811 -7.919 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.820 1.696 -6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.021 -0.994 -8.027 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.562 1.251 -7.114 1.00 0.00 H new ATOM 190 N ASP A 13 -13.434 -2.368 -4.919 1.00 0.00 N ATOM 191 CA ASP A 13 -14.273 -1.523 -4.077 1.00 0.00 C ATOM 192 C ASP A 13 -14.055 -1.821 -2.592 1.00 0.00 C ATOM 193 O ASP A 13 -13.637 -0.960 -1.819 1.00 0.00 O ATOM 194 CB ASP A 13 -15.750 -1.702 -4.453 1.00 0.00 C ATOM 195 CG ASP A 13 -16.656 -0.996 -3.448 1.00 0.00 C ATOM 196 OD1 ASP A 13 -16.776 0.243 -3.562 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.192 -1.706 -2.567 1.00 0.00 O ATOM 0 H ASP A 13 -13.941 -2.901 -5.626 1.00 0.00 H new ATOM 0 HA ASP A 13 -13.988 -0.485 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.926 -1.302 -5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.995 -2.764 -4.487 1.00 0.00 H new ATOM 202 N THR A 14 -14.369 -3.047 -2.193 1.00 0.00 N ATOM 203 CA THR A 14 -14.293 -3.464 -0.810 1.00 0.00 C ATOM 204 C THR A 14 -12.863 -3.417 -0.277 1.00 0.00 C ATOM 205 O THR A 14 -12.629 -2.996 0.852 1.00 0.00 O ATOM 206 CB THR A 14 -14.905 -4.865 -0.702 1.00 0.00 C ATOM 207 OG1 THR A 14 -16.043 -4.934 -1.541 1.00 0.00 O ATOM 208 CG2 THR A 14 -15.309 -5.205 0.733 1.00 0.00 C ATOM 0 H THR A 14 -14.685 -3.780 -2.828 1.00 0.00 H new ATOM 0 HA THR A 14 -14.857 -2.771 -0.185 1.00 0.00 H new ATOM 0 HB THR A 14 -14.152 -5.589 -1.012 1.00 0.00 H new ATOM 0 HG1 THR A 14 -16.441 -5.828 -1.480 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.738 -6.207 0.763 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.430 -5.167 1.377 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.047 -4.484 1.084 1.00 0.00 H new ATOM 216 N ASP A 15 -11.907 -3.874 -1.082 1.00 0.00 N ATOM 217 CA ASP A 15 -10.519 -3.959 -0.663 1.00 0.00 C ATOM 218 C ASP A 15 -9.848 -2.591 -0.584 1.00 0.00 C ATOM 219 O ASP A 15 -9.011 -2.395 0.289 1.00 0.00 O ATOM 220 CB ASP A 15 -9.737 -4.869 -1.611 1.00 0.00 C ATOM 221 CG ASP A 15 -10.048 -6.350 -1.418 1.00 0.00 C ATOM 222 OD1 ASP A 15 -11.249 -6.690 -1.340 1.00 0.00 O ATOM 223 OD2 ASP A 15 -9.070 -7.130 -1.366 1.00 0.00 O ATOM 0 H ASP A 15 -12.075 -4.193 -2.036 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.514 -4.381 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.961 -4.589 -2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.670 -4.706 -1.462 1.00 0.00 H new ATOM 228 N VAL A 16 -10.156 -1.678 -1.511 1.00 0.00 N ATOM 229 CA VAL A 16 -9.509 -0.378 -1.612 1.00 0.00 C ATOM 230 C VAL A 16 -10.418 0.759 -1.162 1.00 0.00 C ATOM 231 O VAL A 16 -10.120 1.444 -0.184 1.00 0.00 O ATOM 232 CB VAL A 16 -9.013 -0.143 -3.050 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.242 1.179 -3.166 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.119 -1.291 -3.526 1.00 0.00 C ATOM 0 H VAL A 16 -10.873 -1.830 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.655 -0.385 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.898 -0.095 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.905 1.315 -4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.894 2.006 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.378 1.156 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.786 -1.094 -4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.252 -1.373 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.682 -2.224 -3.502 1.00 0.00 H new ATOM 244 N LEU A 17 -11.509 0.987 -1.894 1.00 0.00 N ATOM 245 CA LEU A 17 -12.386 2.125 -1.642 1.00 0.00 C ATOM 246 C LEU A 17 -12.935 2.113 -0.219 1.00 0.00 C ATOM 247 O LEU A 17 -13.082 3.172 0.385 1.00 0.00 O ATOM 248 CB LEU A 17 -13.493 2.228 -2.699 1.00 0.00 C ATOM 249 CG LEU A 17 -12.958 2.307 -4.141 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.135 2.474 -5.111 1.00 0.00 C ATOM 251 CD2 LEU A 17 -11.983 3.476 -4.335 1.00 0.00 C ATOM 0 H LEU A 17 -11.805 0.394 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.784 3.029 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.151 1.363 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.098 3.111 -2.495 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.417 1.382 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.759 2.530 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.807 1.621 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.676 3.390 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.633 3.490 -5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.491 4.414 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.132 3.355 -3.665 1.00 0.00 H new ATOM 263 N LYS A 18 -13.226 0.929 0.323 1.00 0.00 N ATOM 264 CA LYS A 18 -13.738 0.816 1.682 1.00 0.00 C ATOM 265 C LYS A 18 -12.630 0.604 2.726 1.00 0.00 C ATOM 266 O LYS A 18 -12.956 0.347 3.884 1.00 0.00 O ATOM 267 CB LYS A 18 -14.819 -0.273 1.750 1.00 0.00 C ATOM 268 CG LYS A 18 -15.960 0.009 0.759 1.00 0.00 C ATOM 269 CD LYS A 18 -17.137 -0.967 0.901 1.00 0.00 C ATOM 270 CE LYS A 18 -17.929 -0.751 2.197 1.00 0.00 C ATOM 271 NZ LYS A 18 -19.119 -1.619 2.246 1.00 0.00 N ATOM 0 H LYS A 18 -13.115 0.038 -0.161 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.195 1.771 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.375 -1.244 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -15.219 -0.328 2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.320 1.027 0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.572 -0.045 -0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.805 -0.851 0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.761 -1.990 0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.290 -0.957 3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.234 0.293 2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.635 -1.451 3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.739 -1.404 1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.824 -2.615 2.200 1.00 0.00 H new ATOM 314 N ALA A 22 -3.741 3.595 4.683 1.00 0.00 N ATOM 315 CA ALA A 22 -3.220 3.929 3.368 1.00 0.00 C ATOM 316 C ALA A 22 -2.970 2.657 2.561 1.00 0.00 C ATOM 317 O ALA A 22 -2.219 1.791 3.006 1.00 0.00 O ATOM 318 CB ALA A 22 -1.931 4.735 3.541 1.00 0.00 C ATOM 0 HA ALA A 22 -3.946 4.530 2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.529 4.993 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.145 5.648 4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.200 4.139 4.088 1.00 0.00 H new ATOM 324 N ILE A 23 -3.579 2.560 1.377 1.00 0.00 N ATOM 325 CA ILE A 23 -3.423 1.451 0.446 1.00 0.00 C ATOM 326 C ILE A 23 -2.666 1.973 -0.778 1.00 0.00 C ATOM 327 O ILE A 23 -3.055 2.992 -1.340 1.00 0.00 O ATOM 328 CB ILE A 23 -4.804 0.854 0.091 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.220 -0.172 1.154 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.820 0.206 -1.301 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.548 -0.860 0.876 1.00 0.00 C ATOM 0 H ILE A 23 -4.215 3.279 1.033 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.848 0.638 0.889 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.519 1.677 0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.441 -0.930 1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.279 0.328 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.812 -0.198 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.573 0.955 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.086 -0.599 -1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.765 -1.568 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.341 -0.114 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.491 -1.392 -0.074 1.00 0.00 H new ATOM 343 N LEU A 24 -1.605 1.280 -1.201 1.00 0.00 N ATOM 344 CA LEU A 24 -0.806 1.647 -2.366 1.00 0.00 C ATOM 345 C LEU A 24 -1.026 0.589 -3.440 1.00 0.00 C ATOM 346 O LEU A 24 -0.460 -0.496 -3.339 1.00 0.00 O ATOM 347 CB LEU A 24 0.666 1.772 -1.943 1.00 0.00 C ATOM 348 CG LEU A 24 1.656 2.292 -3.003 1.00 0.00 C ATOM 349 CD1 LEU A 24 2.147 1.212 -3.974 1.00 0.00 C ATOM 350 CD2 LEU A 24 1.112 3.486 -3.786 1.00 0.00 C ATOM 0 H LEU A 24 -1.275 0.436 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.103 2.612 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.715 2.435 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.008 0.791 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 24 2.517 2.623 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.840 1.654 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.655 0.425 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.296 0.788 -4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.852 3.809 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.196 3.197 -4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.899 4.305 -3.099 1.00 0.00 H new ATOM 362 N VAL A 25 -1.845 0.887 -4.454 1.00 0.00 N ATOM 363 CA VAL A 25 -2.145 -0.058 -5.523 1.00 0.00 C ATOM 364 C VAL A 25 -1.193 0.137 -6.697 1.00 0.00 C ATOM 365 O VAL A 25 -1.235 1.171 -7.364 1.00 0.00 O ATOM 366 CB VAL A 25 -3.597 0.062 -6.013 1.00 0.00 C ATOM 367 CG1 VAL A 25 -3.880 -1.078 -7.003 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.612 -0.003 -4.870 1.00 0.00 C ATOM 0 H VAL A 25 -2.314 1.787 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.012 -1.057 -5.107 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.707 1.036 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.908 -1.004 -7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.197 -1.003 -7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.736 -2.037 -6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.621 0.087 -5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.513 -0.955 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.427 0.813 -4.172 1.00 0.00 H new ATOM 378 N ASP A 26 -0.377 -0.883 -6.971 1.00 0.00 N ATOM 379 CA ASP A 26 0.525 -0.933 -8.108 1.00 0.00 C ATOM 380 C ASP A 26 -0.173 -1.644 -9.269 1.00 0.00 C ATOM 381 O ASP A 26 -0.381 -2.857 -9.228 1.00 0.00 O ATOM 382 CB ASP A 26 1.813 -1.664 -7.722 1.00 0.00 C ATOM 383 CG ASP A 26 2.610 -2.046 -8.963 1.00 0.00 C ATOM 384 OD1 ASP A 26 3.069 -3.177 -9.095 1.00 0.00 O ATOM 385 OD2 ASP A 26 2.761 -1.107 -9.934 1.00 0.00 O ATOM 0 H ASP A 26 -0.329 -1.718 -6.387 1.00 0.00 H new ATOM 0 HA ASP A 26 0.788 0.079 -8.416 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.419 -1.027 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.571 -2.559 -7.150 1.00 0.00 H new ATOM 391 N PHE A 27 -0.506 -0.902 -10.319 1.00 0.00 N ATOM 392 CA PHE A 27 -1.113 -1.466 -11.513 1.00 0.00 C ATOM 393 C PHE A 27 0.016 -2.035 -12.367 1.00 0.00 C ATOM 394 O PHE A 27 0.956 -1.304 -12.686 1.00 0.00 O ATOM 395 CB PHE A 27 -1.911 -0.386 -12.247 1.00 0.00 C ATOM 396 CG PHE A 27 -3.209 -0.023 -11.549 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.195 0.678 -10.328 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.440 -0.412 -12.107 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.398 0.968 -9.666 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.647 -0.096 -11.457 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.627 0.595 -10.236 1.00 0.00 C ATOM 0 H PHE A 27 -0.362 0.107 -10.364 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.816 -2.263 -11.272 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.296 0.508 -12.344 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.133 -0.731 -13.257 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.255 0.994 -9.899 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.459 -0.956 -13.040 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.379 1.480 -8.715 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.589 -0.385 -11.898 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.553 0.839 -9.736 1.00 0.00 H new ATOM 411 N TRP A 28 -0.055 -3.327 -12.714 1.00 0.00 N ATOM 412 CA TRP A 28 0.975 -4.008 -13.488 1.00 0.00 C ATOM 413 C TRP A 28 0.366 -4.926 -14.548 1.00 0.00 C ATOM 414 O TRP A 28 -0.846 -5.128 -14.583 1.00 0.00 O ATOM 415 CB TRP A 28 1.897 -4.788 -12.536 1.00 0.00 C ATOM 416 CG TRP A 28 1.296 -5.983 -11.861 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.518 -5.971 -10.758 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.420 -7.385 -12.241 1.00 0.00 C ATOM 419 NE1 TRP A 28 0.123 -7.260 -10.457 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.628 -8.172 -11.357 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.145 -8.073 -13.231 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.509 -9.565 -11.492 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.048 -9.469 -13.365 1.00 0.00 C ATOM 424 CH2 TRP A 28 1.190 -10.209 -12.539 1.00 0.00 C ATOM 0 H TRP A 28 -0.839 -3.929 -12.460 1.00 0.00 H new ATOM 0 HA TRP A 28 1.564 -3.262 -14.021 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.771 -5.116 -13.099 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.252 -4.103 -11.766 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.246 -5.089 -10.197 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.470 -7.506 -9.665 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.787 -7.519 -13.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.097 -10.133 -10.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.640 -9.977 -14.112 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.053 -11.267 -12.706 1.00 0.00 H new ATOM 435 N ALA A 29 1.222 -5.502 -15.400 1.00 0.00 N ATOM 436 CA ALA A 29 0.856 -6.441 -16.452 1.00 0.00 C ATOM 437 C ALA A 29 1.983 -7.461 -16.577 1.00 0.00 C ATOM 438 O ALA A 29 3.130 -7.125 -16.300 1.00 0.00 O ATOM 439 CB ALA A 29 0.680 -5.710 -17.781 1.00 0.00 C ATOM 0 H ALA A 29 2.224 -5.316 -15.370 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.086 -6.930 -16.204 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.407 -6.426 -18.556 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.107 -4.962 -17.684 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.615 -5.220 -18.053 1.00 0.00 H new ATOM 445 N GLU A 30 1.692 -8.689 -17.002 1.00 0.00 N ATOM 446 CA GLU A 30 2.699 -9.741 -17.125 1.00 0.00 C ATOM 447 C GLU A 30 3.885 -9.314 -17.999 1.00 0.00 C ATOM 448 O GLU A 30 5.031 -9.627 -17.692 1.00 0.00 O ATOM 449 CB GLU A 30 2.037 -11.034 -17.612 1.00 0.00 C ATOM 450 CG GLU A 30 0.991 -11.551 -16.613 1.00 0.00 C ATOM 451 CD GLU A 30 0.193 -12.708 -17.205 1.00 0.00 C ATOM 452 OE1 GLU A 30 -0.811 -12.406 -17.885 1.00 0.00 O ATOM 453 OE2 GLU A 30 0.607 -13.863 -16.972 1.00 0.00 O ATOM 0 H GLU A 30 0.753 -8.982 -17.270 1.00 0.00 H new ATOM 0 HA GLU A 30 3.126 -9.930 -16.140 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.562 -10.858 -18.577 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.800 -11.797 -17.767 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.487 -11.877 -15.699 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.315 -10.742 -16.338 1.00 0.00 H new ATOM 460 N TRP A 31 3.611 -8.571 -19.071 1.00 0.00 N ATOM 461 CA TRP A 31 4.620 -8.061 -19.993 1.00 0.00 C ATOM 462 C TRP A 31 5.330 -6.801 -19.467 1.00 0.00 C ATOM 463 O TRP A 31 6.264 -6.308 -20.099 1.00 0.00 O ATOM 464 CB TRP A 31 3.945 -7.802 -21.347 1.00 0.00 C ATOM 465 CG TRP A 31 2.662 -7.025 -21.292 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.422 -7.569 -21.268 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.463 -5.579 -21.221 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.479 -6.572 -21.169 1.00 0.00 N ATOM 469 CE2 TRP A 31 1.060 -5.321 -21.157 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.321 -4.458 -21.197 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.538 -4.021 -21.081 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.809 -3.150 -21.119 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.421 -2.929 -21.071 1.00 0.00 C ATOM 0 H TRP A 31 2.661 -8.302 -19.326 1.00 0.00 H new ATOM 0 HA TRP A 31 5.406 -8.809 -20.100 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.647 -7.266 -21.986 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.748 -8.762 -21.824 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.206 -8.626 -21.319 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.526 -6.738 -21.112 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.390 -4.607 -21.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.529 -3.862 -21.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.487 -2.309 -21.096 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.035 -1.921 -21.027 1.00 0.00 H new ATOM 484 N CYS A 32 4.914 -6.256 -18.320 1.00 0.00 N ATOM 485 CA CYS A 32 5.502 -5.038 -17.783 1.00 0.00 C ATOM 486 C CYS A 32 6.827 -5.328 -17.079 1.00 0.00 C ATOM 487 O CYS A 32 6.881 -5.447 -15.855 1.00 0.00 O ATOM 488 CB CYS A 32 4.525 -4.374 -16.815 1.00 0.00 C ATOM 489 SG CYS A 32 5.157 -2.861 -16.065 1.00 0.00 S ATOM 0 H CYS A 32 4.167 -6.647 -17.746 1.00 0.00 H new ATOM 0 HA CYS A 32 5.704 -4.361 -18.613 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.601 -4.146 -17.346 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.273 -5.082 -16.025 1.00 0.00 H new ATOM 494 N GLY A 33 7.912 -5.434 -17.850 1.00 0.00 N ATOM 495 CA GLY A 33 9.256 -5.655 -17.322 1.00 0.00 C ATOM 496 C GLY A 33 9.554 -4.772 -16.098 1.00 0.00 C ATOM 497 O GLY A 33 9.849 -5.295 -15.023 1.00 0.00 O ATOM 0 H GLY A 33 7.880 -5.368 -18.867 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.368 -6.704 -17.047 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.989 -5.450 -18.102 1.00 0.00 H new ATOM 501 N PRO A 34 9.462 -3.437 -16.222 1.00 0.00 N ATOM 502 CA PRO A 34 9.695 -2.510 -15.119 1.00 0.00 C ATOM 503 C PRO A 34 8.876 -2.836 -13.863 1.00 0.00 C ATOM 504 O PRO A 34 9.341 -2.617 -12.747 1.00 0.00 O ATOM 505 CB PRO A 34 9.358 -1.121 -15.666 1.00 0.00 C ATOM 506 CG PRO A 34 9.597 -1.268 -17.169 1.00 0.00 C ATOM 507 CD PRO A 34 9.139 -2.702 -17.436 1.00 0.00 C ATOM 0 HA PRO A 34 10.730 -2.578 -14.785 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.327 -0.842 -15.448 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.995 -0.352 -15.231 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.021 -0.544 -17.745 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.645 -1.121 -17.430 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.070 -2.741 -17.648 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.651 -3.125 -18.300 1.00 0.00 H new ATOM 515 N CYS A 35 7.667 -3.387 -14.023 1.00 0.00 N ATOM 516 CA CYS A 35 6.839 -3.760 -12.883 1.00 0.00 C ATOM 517 C CYS A 35 7.560 -4.853 -12.092 1.00 0.00 C ATOM 518 O CYS A 35 7.607 -4.816 -10.862 1.00 0.00 O ATOM 519 CB CYS A 35 5.428 -4.206 -13.284 1.00 0.00 C ATOM 520 SG CYS A 35 4.377 -2.999 -14.143 1.00 0.00 S ATOM 0 H CYS A 35 7.246 -3.582 -14.931 1.00 0.00 H new ATOM 0 HA CYS A 35 6.698 -2.876 -12.262 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.522 -5.084 -13.923 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.906 -4.523 -12.381 1.00 0.00 H new ATOM 525 N LYS A 36 8.174 -5.804 -12.806 1.00 0.00 N ATOM 526 CA LYS A 36 8.959 -6.867 -12.193 1.00 0.00 C ATOM 527 C LYS A 36 10.159 -6.253 -11.476 1.00 0.00 C ATOM 528 O LYS A 36 10.487 -6.664 -10.368 1.00 0.00 O ATOM 529 CB LYS A 36 9.428 -7.906 -13.226 1.00 0.00 C ATOM 530 CG LYS A 36 8.353 -8.342 -14.229 1.00 0.00 C ATOM 531 CD LYS A 36 7.127 -8.966 -13.549 1.00 0.00 C ATOM 532 CE LYS A 36 5.991 -9.145 -14.559 1.00 0.00 C ATOM 533 NZ LYS A 36 5.431 -7.842 -14.959 1.00 0.00 N ATOM 0 H LYS A 36 8.137 -5.853 -13.824 1.00 0.00 H new ATOM 0 HA LYS A 36 8.325 -7.391 -11.478 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.274 -7.495 -13.777 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.790 -8.787 -12.696 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.038 -7.479 -14.816 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.783 -9.062 -14.926 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.394 -9.931 -13.118 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.796 -8.330 -12.728 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.361 -9.671 -15.439 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.207 -9.764 -14.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.569 -7.992 -15.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.198 -7.289 -14.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.130 -7.324 -15.528 1.00 0.00 H new ATOM 547 N MET A 37 10.804 -5.261 -12.100 1.00 0.00 N ATOM 548 CA MET A 37 11.949 -4.592 -11.498 1.00 0.00 C ATOM 549 C MET A 37 11.562 -3.928 -10.173 1.00 0.00 C ATOM 550 O MET A 37 12.295 -4.056 -9.194 1.00 0.00 O ATOM 551 CB MET A 37 12.576 -3.585 -12.473 1.00 0.00 C ATOM 552 CG MET A 37 13.089 -4.238 -13.765 1.00 0.00 C ATOM 553 SD MET A 37 14.280 -5.594 -13.597 1.00 0.00 S ATOM 554 CE MET A 37 15.631 -4.761 -12.733 1.00 0.00 C ATOM 0 H MET A 37 10.548 -4.908 -13.022 1.00 0.00 H new ATOM 0 HA MET A 37 12.704 -5.347 -11.278 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.837 -2.824 -12.726 1.00 0.00 H new ATOM 0 HB3 MET A 37 13.402 -3.075 -11.978 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.228 -4.613 -14.318 1.00 0.00 H new ATOM 0 HG3 MET A 37 13.547 -3.461 -14.377 1.00 0.00 H new ATOM 0 HE1 MET A 37 16.463 -5.454 -12.605 1.00 0.00 H new ATOM 0 HE2 MET A 37 15.961 -3.902 -13.317 1.00 0.00 H new ATOM 0 HE3 MET A 37 15.285 -4.425 -11.756 1.00 0.00 H new ATOM 564 N ILE A 38 10.425 -3.221 -10.118 1.00 0.00 N ATOM 565 CA ILE A 38 10.008 -2.581 -8.869 1.00 0.00 C ATOM 566 C ILE A 38 9.426 -3.580 -7.860 1.00 0.00 C ATOM 567 O ILE A 38 9.507 -3.325 -6.663 1.00 0.00 O ATOM 568 CB ILE A 38 9.104 -1.353 -9.084 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.729 -1.736 -9.639 1.00 0.00 C ATOM 570 CG2 ILE A 38 9.809 -0.320 -9.976 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.752 -0.559 -9.676 1.00 0.00 C ATOM 0 H ILE A 38 9.792 -3.081 -10.906 1.00 0.00 H new ATOM 0 HA ILE A 38 10.921 -2.191 -8.420 1.00 0.00 H new ATOM 0 HB ILE A 38 8.924 -0.898 -8.110 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.848 -2.135 -10.647 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.306 -2.534 -9.028 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.158 0.542 -10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.736 0.000 -9.499 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.035 -0.768 -10.943 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.796 -0.893 -10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.607 -0.175 -8.666 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.157 0.230 -10.309 1.00 0.00 H new ATOM 583 N ALA A 39 8.835 -4.702 -8.298 1.00 0.00 N ATOM 584 CA ALA A 39 8.252 -5.715 -7.410 1.00 0.00 C ATOM 585 C ALA A 39 9.028 -5.956 -6.096 1.00 0.00 C ATOM 586 O ALA A 39 8.438 -5.786 -5.027 1.00 0.00 O ATOM 587 CB ALA A 39 7.976 -7.017 -8.170 1.00 0.00 C ATOM 0 H ALA A 39 8.748 -4.932 -9.288 1.00 0.00 H new ATOM 0 HA ALA A 39 7.301 -5.298 -7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.544 -7.751 -7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.278 -6.822 -8.984 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.909 -7.405 -8.578 1.00 0.00 H new ATOM 593 N PRO A 40 10.323 -6.324 -6.112 1.00 0.00 N ATOM 594 CA PRO A 40 11.089 -6.514 -4.886 1.00 0.00 C ATOM 595 C PRO A 40 11.113 -5.242 -4.031 1.00 0.00 C ATOM 596 O PRO A 40 11.007 -5.324 -2.810 1.00 0.00 O ATOM 597 CB PRO A 40 12.496 -6.942 -5.319 1.00 0.00 C ATOM 598 CG PRO A 40 12.605 -6.424 -6.752 1.00 0.00 C ATOM 599 CD PRO A 40 11.173 -6.570 -7.263 1.00 0.00 C ATOM 0 HA PRO A 40 10.633 -7.276 -4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.262 -6.508 -4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.617 -8.024 -5.274 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.945 -5.389 -6.785 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.309 -7.010 -7.343 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.967 -5.858 -8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.002 -7.566 -7.672 1.00 0.00 H new ATOM 607 N ILE A 41 11.194 -4.060 -4.653 1.00 0.00 N ATOM 608 CA ILE A 41 11.149 -2.801 -3.925 1.00 0.00 C ATOM 609 C ILE A 41 9.792 -2.712 -3.225 1.00 0.00 C ATOM 610 O ILE A 41 9.737 -2.442 -2.028 1.00 0.00 O ATOM 611 CB ILE A 41 11.402 -1.583 -4.842 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.677 -1.757 -5.687 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.508 -0.319 -3.977 1.00 0.00 C ATOM 614 CD1 ILE A 41 12.902 -0.594 -6.660 1.00 0.00 C ATOM 0 H ILE A 41 11.291 -3.956 -5.663 1.00 0.00 H new ATOM 0 HA ILE A 41 11.952 -2.779 -3.188 1.00 0.00 H new ATOM 0 HB ILE A 41 10.566 -1.494 -5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.538 -1.844 -5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.612 -2.689 -6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.687 0.546 -4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.579 -0.177 -3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.334 -0.427 -3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.814 -0.768 -7.230 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.055 -0.522 -7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.996 0.336 -6.100 1.00 0.00 H new ATOM 626 N LEU A 42 8.698 -2.965 -3.953 1.00 0.00 N ATOM 627 CA LEU A 42 7.359 -2.949 -3.373 1.00 0.00 C ATOM 628 C LEU A 42 7.292 -3.913 -2.184 1.00 0.00 C ATOM 629 O LEU A 42 6.741 -3.564 -1.144 1.00 0.00 O ATOM 630 CB LEU A 42 6.276 -3.286 -4.411 1.00 0.00 C ATOM 631 CG LEU A 42 6.229 -2.342 -5.624 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.156 -2.826 -6.602 1.00 0.00 C ATOM 633 CD2 LEU A 42 5.914 -0.897 -5.217 1.00 0.00 C ATOM 0 H LEU A 42 8.719 -3.184 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 42 7.159 -1.936 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.438 -4.304 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.304 -3.271 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 42 7.214 -2.355 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.121 -2.158 -7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.396 -3.836 -6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.186 -2.829 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.891 -0.266 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.944 -0.862 -4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.683 -0.535 -4.535 1.00 0.00 H new ATOM 645 N ASP A 43 7.856 -5.118 -2.320 1.00 0.00 N ATOM 646 CA ASP A 43 7.876 -6.101 -1.240 1.00 0.00 C ATOM 647 C ASP A 43 8.623 -5.552 -0.021 1.00 0.00 C ATOM 648 O ASP A 43 8.104 -5.567 1.094 1.00 0.00 O ATOM 649 CB ASP A 43 8.507 -7.415 -1.715 1.00 0.00 C ATOM 650 CG ASP A 43 7.607 -8.190 -2.671 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.414 -8.338 -2.331 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.122 -8.649 -3.712 1.00 0.00 O ATOM 0 H ASP A 43 8.308 -5.435 -3.178 1.00 0.00 H new ATOM 0 HA ASP A 43 6.846 -6.304 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.455 -7.200 -2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.733 -8.038 -0.850 1.00 0.00 H new ATOM 657 N GLU A 44 9.844 -5.058 -0.233 1.00 0.00 N ATOM 658 CA GLU A 44 10.661 -4.482 0.825 1.00 0.00 C ATOM 659 C GLU A 44 9.872 -3.380 1.533 1.00 0.00 C ATOM 660 O GLU A 44 9.740 -3.392 2.753 1.00 0.00 O ATOM 661 CB GLU A 44 11.965 -3.947 0.223 1.00 0.00 C ATOM 662 CG GLU A 44 12.862 -5.100 -0.252 1.00 0.00 C ATOM 663 CD GLU A 44 13.861 -4.655 -1.317 1.00 0.00 C ATOM 664 OE1 GLU A 44 14.311 -3.492 -1.231 1.00 0.00 O ATOM 665 OE2 GLU A 44 14.161 -5.487 -2.202 1.00 0.00 O ATOM 0 H GLU A 44 10.292 -5.048 -1.149 1.00 0.00 H new ATOM 0 HA GLU A 44 10.916 -5.241 1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.740 -3.287 -0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.495 -3.350 0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.402 -5.512 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.240 -5.900 -0.652 1.00 0.00 H new ATOM 672 N ILE A 45 9.316 -2.451 0.755 1.00 0.00 N ATOM 673 CA ILE A 45 8.494 -1.363 1.258 1.00 0.00 C ATOM 674 C ILE A 45 7.326 -1.925 2.074 1.00 0.00 C ATOM 675 O ILE A 45 7.071 -1.445 3.174 1.00 0.00 O ATOM 676 CB ILE A 45 8.035 -0.489 0.081 1.00 0.00 C ATOM 677 CG1 ILE A 45 9.207 0.310 -0.522 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.862 0.433 0.433 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.730 1.469 0.331 1.00 0.00 C ATOM 0 H ILE A 45 9.429 -2.438 -0.259 1.00 0.00 H new ATOM 0 HA ILE A 45 9.070 -0.728 1.931 1.00 0.00 H new ATOM 0 HB ILE A 45 7.666 -1.180 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.031 -0.377 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.893 0.707 -1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.587 1.023 -0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.009 -0.168 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.155 1.101 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.552 1.961 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.927 2.187 0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.083 1.086 1.288 1.00 0.00 H new ATOM 691 N ALA A 46 6.626 -2.938 1.555 1.00 0.00 N ATOM 692 CA ALA A 46 5.511 -3.565 2.251 1.00 0.00 C ATOM 693 C ALA A 46 5.949 -4.032 3.638 1.00 0.00 C ATOM 694 O ALA A 46 5.236 -3.815 4.614 1.00 0.00 O ATOM 695 CB ALA A 46 4.930 -4.712 1.418 1.00 0.00 C ATOM 0 H ALA A 46 6.821 -3.343 0.639 1.00 0.00 H new ATOM 0 HA ALA A 46 4.718 -2.830 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.098 -5.167 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.576 -4.325 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.702 -5.461 1.242 1.00 0.00 H new ATOM 701 N ASP A 47 7.134 -4.647 3.739 1.00 0.00 N ATOM 702 CA ASP A 47 7.652 -5.062 5.035 1.00 0.00 C ATOM 703 C ASP A 47 7.982 -3.837 5.895 1.00 0.00 C ATOM 704 O ASP A 47 7.492 -3.708 7.016 1.00 0.00 O ATOM 705 CB ASP A 47 8.876 -5.967 4.866 1.00 0.00 C ATOM 706 CG ASP A 47 9.426 -6.375 6.228 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.799 -7.256 6.857 1.00 0.00 O ATOM 708 OD2 ASP A 47 10.451 -5.782 6.627 1.00 0.00 O ATOM 0 H ASP A 47 7.740 -4.863 2.947 1.00 0.00 H new ATOM 0 HA ASP A 47 6.882 -5.638 5.548 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.604 -6.855 4.296 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.646 -5.446 4.297 1.00 0.00 H new ATOM 713 N GLU A 48 8.827 -2.940 5.387 1.00 0.00 N ATOM 714 CA GLU A 48 9.285 -1.752 6.094 1.00 0.00 C ATOM 715 C GLU A 48 8.134 -0.920 6.667 1.00 0.00 C ATOM 716 O GLU A 48 8.193 -0.486 7.815 1.00 0.00 O ATOM 717 CB GLU A 48 10.157 -0.920 5.149 1.00 0.00 C ATOM 718 CG GLU A 48 11.497 -1.610 4.855 1.00 0.00 C ATOM 719 CD GLU A 48 12.249 -0.897 3.737 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.859 -1.097 2.567 1.00 0.00 O ATOM 721 OE2 GLU A 48 13.191 -0.145 4.070 1.00 0.00 O ATOM 0 H GLU A 48 9.219 -3.025 4.449 1.00 0.00 H new ATOM 0 HA GLU A 48 9.872 -2.072 6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.622 -0.752 4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.341 0.059 5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.108 -1.623 5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.321 -2.648 4.574 1.00 0.00 H new ATOM 728 N TYR A 49 7.094 -0.695 5.867 1.00 0.00 N ATOM 729 CA TYR A 49 5.924 0.090 6.244 1.00 0.00 C ATOM 730 C TYR A 49 4.764 -0.812 6.694 1.00 0.00 C ATOM 731 O TYR A 49 3.612 -0.377 6.650 1.00 0.00 O ATOM 732 CB TYR A 49 5.503 0.993 5.071 1.00 0.00 C ATOM 733 CG TYR A 49 6.446 2.134 4.729 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.629 1.881 4.010 1.00 0.00 C ATOM 735 CD2 TYR A 49 6.075 3.467 5.001 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.432 2.946 3.568 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.872 4.533 4.544 1.00 0.00 C ATOM 738 CZ TYR A 49 8.048 4.272 3.822 1.00 0.00 C ATOM 739 OH TYR A 49 8.817 5.294 3.351 1.00 0.00 O ATOM 0 H TYR A 49 7.042 -1.063 4.917 1.00 0.00 H new ATOM 0 HA TYR A 49 6.188 0.719 7.094 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.384 0.370 4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.524 1.415 5.298 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.921 0.863 3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.175 3.671 5.563 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.347 2.744 3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.579 5.552 4.749 1.00 0.00 H new ATOM 0 HH TYR A 49 8.417 6.150 3.609 1.00 0.00 H new ATOM 749 N GLN A 50 5.023 -2.052 7.130 1.00 0.00 N ATOM 750 CA GLN A 50 3.956 -2.941 7.567 1.00 0.00 C ATOM 751 C GLN A 50 3.085 -2.255 8.625 1.00 0.00 C ATOM 752 O GLN A 50 3.599 -1.647 9.562 1.00 0.00 O ATOM 753 CB GLN A 50 4.534 -4.274 8.056 1.00 0.00 C ATOM 754 CG GLN A 50 5.358 -4.165 9.347 1.00 0.00 C ATOM 755 CD GLN A 50 6.093 -5.470 9.633 1.00 0.00 C ATOM 756 OE1 GLN A 50 5.655 -6.280 10.442 1.00 0.00 O ATOM 757 NE2 GLN A 50 7.210 -5.690 8.950 1.00 0.00 N ATOM 0 H GLN A 50 5.959 -2.454 7.187 1.00 0.00 H new ATOM 0 HA GLN A 50 3.309 -3.167 6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.715 -4.975 8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.163 -4.695 7.271 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.076 -3.350 9.257 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.702 -3.921 10.183 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.546 -4.994 8.284 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.732 -6.555 9.091 1.00 0.00 H new ATOM 766 N GLY A 51 1.761 -2.305 8.453 1.00 0.00 N ATOM 767 CA GLY A 51 0.826 -1.665 9.370 1.00 0.00 C ATOM 768 C GLY A 51 0.606 -0.180 9.064 1.00 0.00 C ATOM 769 O GLY A 51 -0.412 0.371 9.471 1.00 0.00 O ATOM 0 H GLY A 51 1.313 -2.790 7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.131 -2.185 9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.198 -1.769 10.389 1.00 0.00 H new ATOM 773 N LYS A 52 1.527 0.472 8.344 1.00 0.00 N ATOM 774 CA LYS A 52 1.419 1.881 7.985 1.00 0.00 C ATOM 775 C LYS A 52 0.900 1.998 6.553 1.00 0.00 C ATOM 776 O LYS A 52 -0.023 2.764 6.284 1.00 0.00 O ATOM 777 CB LYS A 52 2.790 2.566 8.099 1.00 0.00 C ATOM 778 CG LYS A 52 3.368 2.505 9.519 1.00 0.00 C ATOM 779 CD LYS A 52 4.798 3.064 9.574 1.00 0.00 C ATOM 780 CE LYS A 52 4.882 4.537 9.150 1.00 0.00 C ATOM 781 NZ LYS A 52 6.241 5.070 9.348 1.00 0.00 N ATOM 0 H LYS A 52 2.375 0.027 7.993 1.00 0.00 H new ATOM 0 HA LYS A 52 0.726 2.372 8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.487 2.092 7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.697 3.608 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.729 3.072 10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.367 1.473 9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.184 2.961 10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.441 2.468 8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.600 4.633 8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.169 5.126 9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.269 6.067 9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.499 4.998 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.916 4.521 8.778 1.00 0.00 H new ATOM 795 N LEU A 53 1.508 1.239 5.637 1.00 0.00 N ATOM 796 CA LEU A 53 1.171 1.226 4.225 1.00 0.00 C ATOM 797 C LEU A 53 0.778 -0.191 3.817 1.00 0.00 C ATOM 798 O LEU A 53 1.569 -1.121 3.952 1.00 0.00 O ATOM 799 CB LEU A 53 2.389 1.684 3.419 1.00 0.00 C ATOM 800 CG LEU A 53 2.054 1.951 1.945 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.374 3.317 1.789 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.357 1.911 1.145 1.00 0.00 C ATOM 0 H LEU A 53 2.269 0.601 5.872 1.00 0.00 H new ATOM 0 HA LEU A 53 0.336 1.899 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.796 2.591 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.167 0.923 3.479 1.00 0.00 H new ATOM 0 HG LEU A 53 1.365 1.192 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.143 3.491 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.452 3.333 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.043 4.099 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.144 2.098 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.037 2.676 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.820 0.930 1.252 1.00 0.00 H new ATOM 814 N THR A 54 -0.430 -0.350 3.285 1.00 0.00 N ATOM 815 CA THR A 54 -0.923 -1.616 2.785 1.00 0.00 C ATOM 816 C THR A 54 -0.590 -1.652 1.294 1.00 0.00 C ATOM 817 O THR A 54 -1.262 -1.013 0.483 1.00 0.00 O ATOM 818 CB THR A 54 -2.423 -1.689 3.093 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.596 -1.677 4.495 1.00 0.00 O ATOM 820 CG2 THR A 54 -3.088 -2.943 2.526 1.00 0.00 C ATOM 0 H THR A 54 -1.100 0.413 3.191 1.00 0.00 H new ATOM 0 HA THR A 54 -0.467 -2.489 3.252 1.00 0.00 H new ATOM 0 HB THR A 54 -2.897 -0.829 2.620 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.552 -1.722 4.707 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.149 -2.937 2.777 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.971 -2.958 1.442 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.619 -3.829 2.954 1.00 0.00 H new ATOM 828 N VAL A 55 0.464 -2.372 0.912 1.00 0.00 N ATOM 829 CA VAL A 55 0.859 -2.439 -0.483 1.00 0.00 C ATOM 830 C VAL A 55 -0.067 -3.428 -1.190 1.00 0.00 C ATOM 831 O VAL A 55 -0.431 -4.472 -0.646 1.00 0.00 O ATOM 832 CB VAL A 55 2.343 -2.823 -0.598 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.785 -2.940 -2.061 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.225 -1.755 0.063 1.00 0.00 C ATOM 0 H VAL A 55 1.052 -2.911 1.548 1.00 0.00 H new ATOM 0 HA VAL A 55 0.759 -1.467 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 55 2.456 -3.786 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.840 -3.213 -2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.192 -3.707 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.638 -1.984 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.273 -2.042 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.067 -0.796 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.962 -1.667 1.117 1.00 0.00 H new ATOM 844 N ALA A 56 -0.473 -3.086 -2.408 1.00 0.00 N ATOM 845 CA ALA A 56 -1.358 -3.890 -3.216 1.00 0.00 C ATOM 846 C ALA A 56 -0.882 -3.847 -4.662 1.00 0.00 C ATOM 847 O ALA A 56 -0.167 -2.936 -5.072 1.00 0.00 O ATOM 848 CB ALA A 56 -2.791 -3.378 -3.069 1.00 0.00 C ATOM 0 H ALA A 56 -0.184 -2.220 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.345 -4.928 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.459 -3.986 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.095 -3.443 -2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.842 -2.340 -3.398 1.00 0.00 H new ATOM 854 N LYS A 57 -1.279 -4.852 -5.431 1.00 0.00 N ATOM 855 CA LYS A 57 -0.969 -5.028 -6.829 1.00 0.00 C ATOM 856 C LYS A 57 -2.256 -5.397 -7.556 1.00 0.00 C ATOM 857 O LYS A 57 -3.115 -6.072 -6.986 1.00 0.00 O ATOM 858 CB LYS A 57 0.049 -6.160 -6.985 1.00 0.00 C ATOM 859 CG LYS A 57 1.504 -5.691 -6.952 1.00 0.00 C ATOM 860 CD LYS A 57 2.396 -6.924 -7.152 1.00 0.00 C ATOM 861 CE LYS A 57 3.876 -6.593 -7.321 1.00 0.00 C ATOM 862 NZ LYS A 57 4.137 -5.763 -8.513 1.00 0.00 N ATOM 0 H LYS A 57 -1.860 -5.607 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.549 -4.112 -7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.106 -6.888 -6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.136 -6.675 -7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.687 -4.956 -7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.728 -5.207 -6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.277 -7.589 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.053 -7.470 -8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.232 -6.070 -6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.446 -7.519 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.163 -5.651 -8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.732 -6.224 -9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.700 -4.828 -8.387 1.00 0.00 H new ATOM 876 N LEU A 58 -2.372 -4.975 -8.818 1.00 0.00 N ATOM 877 CA LEU A 58 -3.506 -5.308 -9.663 1.00 0.00 C ATOM 878 C LEU A 58 -2.994 -5.620 -11.064 1.00 0.00 C ATOM 879 O LEU A 58 -2.283 -4.811 -11.661 1.00 0.00 O ATOM 880 CB LEU A 58 -4.536 -4.176 -9.634 1.00 0.00 C ATOM 881 CG LEU A 58 -5.793 -4.525 -10.455 1.00 0.00 C ATOM 882 CD1 LEU A 58 -7.018 -3.909 -9.786 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.700 -3.966 -11.880 1.00 0.00 C ATOM 0 H LEU A 58 -1.675 -4.390 -9.278 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.021 -6.195 -9.293 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.821 -3.970 -8.602 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.086 -3.265 -10.028 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.873 -5.611 -10.501 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.909 -4.153 -10.364 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.120 -4.307 -8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.901 -2.826 -9.740 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.601 -4.229 -12.434 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.602 -2.881 -11.840 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.830 -4.390 -12.381 1.00 0.00 H new ATOM 895 N ASN A 59 -3.353 -6.801 -11.581 1.00 0.00 N ATOM 896 CA ASN A 59 -2.961 -7.228 -12.914 1.00 0.00 C ATOM 897 C ASN A 59 -3.985 -6.719 -13.929 1.00 0.00 C ATOM 898 O ASN A 59 -5.119 -7.206 -13.971 1.00 0.00 O ATOM 899 CB ASN A 59 -2.844 -8.750 -12.999 1.00 0.00 C ATOM 900 CG ASN A 59 -2.492 -9.116 -14.433 1.00 0.00 C ATOM 901 OD1 ASN A 59 -3.369 -9.469 -15.209 1.00 0.00 O ATOM 902 ND2 ASN A 59 -1.231 -8.988 -14.827 1.00 0.00 N ATOM 0 H ASN A 59 -3.924 -7.482 -11.080 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.980 -6.809 -13.139 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.077 -9.112 -12.314 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.782 -9.221 -12.705 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.977 -9.185 -15.795 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.516 -8.692 -14.162 1.00 0.00 H new ATOM 909 N ILE A 60 -3.591 -5.740 -14.743 1.00 0.00 N ATOM 910 CA ILE A 60 -4.466 -5.134 -15.734 1.00 0.00 C ATOM 911 C ILE A 60 -4.827 -6.093 -16.870 1.00 0.00 C ATOM 912 O ILE A 60 -5.875 -5.920 -17.481 1.00 0.00 O ATOM 913 CB ILE A 60 -3.887 -3.805 -16.250 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.605 -3.997 -17.074 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.631 -2.851 -15.076 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.878 -3.970 -18.581 1.00 0.00 C ATOM 0 H ILE A 60 -2.650 -5.346 -14.730 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.406 -4.906 -15.232 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.629 -3.370 -16.919 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.892 -3.213 -16.821 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.142 -4.947 -16.807 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.221 -1.913 -15.452 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.568 -2.655 -14.556 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.921 -3.306 -14.385 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.943 -4.110 -19.123 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.570 -4.771 -18.840 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.316 -3.010 -18.854 1.00 0.00 H new ATOM 928 N ASP A 61 -4.004 -7.111 -17.160 1.00 0.00 N ATOM 929 CA ASP A 61 -4.331 -8.059 -18.227 1.00 0.00 C ATOM 930 C ASP A 61 -5.661 -8.737 -17.895 1.00 0.00 C ATOM 931 O ASP A 61 -6.577 -8.781 -18.712 1.00 0.00 O ATOM 932 CB ASP A 61 -3.235 -9.118 -18.440 1.00 0.00 C ATOM 933 CG ASP A 61 -1.838 -8.532 -18.597 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.609 -7.853 -19.623 1.00 0.00 O ATOM 935 OD2 ASP A 61 -1.018 -8.775 -17.681 1.00 0.00 O ATOM 0 H ASP A 61 -3.124 -7.295 -16.679 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.407 -7.500 -19.160 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.238 -9.806 -17.594 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.476 -9.703 -19.328 1.00 0.00 H new ATOM 940 N GLN A 62 -5.756 -9.249 -16.666 1.00 0.00 N ATOM 941 CA GLN A 62 -6.944 -9.904 -16.149 1.00 0.00 C ATOM 942 C GLN A 62 -8.027 -8.884 -15.793 1.00 0.00 C ATOM 943 O GLN A 62 -9.206 -9.226 -15.803 1.00 0.00 O ATOM 944 CB GLN A 62 -6.570 -10.755 -14.928 1.00 0.00 C ATOM 945 CG GLN A 62 -5.657 -11.934 -15.302 1.00 0.00 C ATOM 946 CD GLN A 62 -6.320 -12.912 -16.267 1.00 0.00 C ATOM 947 OE1 GLN A 62 -5.838 -13.126 -17.373 1.00 0.00 O ATOM 948 NE2 GLN A 62 -7.434 -13.516 -15.862 1.00 0.00 N ATOM 0 H GLN A 62 -4.989 -9.216 -15.994 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.352 -10.553 -16.924 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.069 -10.129 -14.190 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.478 -11.135 -14.460 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.742 -11.550 -15.753 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.367 -12.465 -14.395 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.813 -13.319 -14.936 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.909 -14.176 -16.478 1.00 0.00 H new ATOM 957 N ASN A 63 -7.644 -7.644 -15.461 1.00 0.00 N ATOM 958 CA ASN A 63 -8.578 -6.594 -15.057 1.00 0.00 C ATOM 959 C ASN A 63 -8.388 -5.310 -15.878 1.00 0.00 C ATOM 960 O ASN A 63 -7.937 -4.306 -15.324 1.00 0.00 O ATOM 961 CB ASN A 63 -8.366 -6.295 -13.566 1.00 0.00 C ATOM 962 CG ASN A 63 -8.463 -7.529 -12.682 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.527 -7.843 -12.155 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.343 -8.222 -12.488 1.00 0.00 N ATOM 0 H ASN A 63 -6.669 -7.343 -15.466 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.593 -6.947 -15.238 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.386 -5.837 -13.431 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.107 -5.565 -13.241 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.350 -9.044 -11.885 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.478 -7.931 -12.943 1.00 0.00 H new ATOM 971 N PRO A 64 -8.725 -5.292 -17.180 1.00 0.00 N ATOM 972 CA PRO A 64 -8.539 -4.117 -18.018 1.00 0.00 C ATOM 973 C PRO A 64 -9.227 -2.870 -17.458 1.00 0.00 C ATOM 974 O PRO A 64 -8.569 -1.865 -17.202 1.00 0.00 O ATOM 975 CB PRO A 64 -9.069 -4.496 -19.408 1.00 0.00 C ATOM 976 CG PRO A 64 -8.956 -6.020 -19.421 1.00 0.00 C ATOM 977 CD PRO A 64 -9.249 -6.395 -17.970 1.00 0.00 C ATOM 0 HA PRO A 64 -7.485 -3.843 -18.060 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.099 -4.167 -19.550 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.477 -4.041 -20.202 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.671 -6.472 -20.108 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.964 -6.349 -19.731 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.319 -6.525 -17.805 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.768 -7.336 -17.701 1.00 0.00 H new ATOM 985 N GLY A 65 -10.554 -2.939 -17.288 1.00 0.00 N ATOM 986 CA GLY A 65 -11.422 -1.851 -16.842 1.00 0.00 C ATOM 987 C GLY A 65 -10.857 -0.987 -15.714 1.00 0.00 C ATOM 988 O GLY A 65 -11.009 0.236 -15.725 1.00 0.00 O ATOM 0 H GLY A 65 -11.073 -3.799 -17.468 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.640 -1.209 -17.695 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.370 -2.276 -16.512 1.00 0.00 H new ATOM 992 N THR A 66 -10.211 -1.611 -14.727 1.00 0.00 N ATOM 993 CA THR A 66 -9.661 -0.897 -13.592 1.00 0.00 C ATOM 994 C THR A 66 -8.618 0.146 -13.999 1.00 0.00 C ATOM 995 O THR A 66 -8.457 1.137 -13.294 1.00 0.00 O ATOM 996 CB THR A 66 -9.149 -1.897 -12.551 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.885 -3.099 -12.652 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.341 -1.333 -11.138 1.00 0.00 C ATOM 0 H THR A 66 -10.059 -2.619 -14.699 1.00 0.00 H new ATOM 0 HA THR A 66 -10.458 -0.316 -13.129 1.00 0.00 H new ATOM 0 HB THR A 66 -8.090 -2.081 -12.735 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.838 -2.911 -12.519 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.974 -2.052 -10.406 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.786 -0.400 -11.040 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.400 -1.145 -10.962 1.00 0.00 H new ATOM 1006 N ALA A 67 -7.925 -0.034 -15.129 1.00 0.00 N ATOM 1007 CA ALA A 67 -6.963 0.961 -15.582 1.00 0.00 C ATOM 1008 C ALA A 67 -7.690 2.223 -16.086 1.00 0.00 C ATOM 1009 O ALA A 67 -7.552 3.274 -15.450 1.00 0.00 O ATOM 1010 CB ALA A 67 -5.923 0.358 -16.534 1.00 0.00 C ATOM 0 H ALA A 67 -8.014 -0.849 -15.735 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.362 1.302 -14.739 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.225 1.134 -16.848 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.378 -0.435 -16.022 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.426 -0.053 -17.409 1.00 0.00 H new ATOM 1016 N PRO A 68 -8.483 2.170 -17.177 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.271 3.302 -17.649 1.00 0.00 C ATOM 1018 C PRO A 68 -10.057 3.990 -16.531 1.00 0.00 C ATOM 1019 O PRO A 68 -10.131 5.217 -16.525 1.00 0.00 O ATOM 1020 CB PRO A 68 -10.208 2.753 -18.725 1.00 0.00 C ATOM 1021 CG PRO A 68 -9.397 1.599 -19.301 1.00 0.00 C ATOM 1022 CD PRO A 68 -8.718 1.036 -18.056 1.00 0.00 C ATOM 0 HA PRO A 68 -8.611 4.074 -18.044 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.156 2.415 -18.306 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.443 3.502 -19.481 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.031 0.859 -19.790 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.673 1.939 -20.042 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.349 0.291 -17.571 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.781 0.541 -18.313 1.00 0.00 H new ATOM 1030 N LYS A 69 -10.625 3.228 -15.581 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.352 3.799 -14.447 1.00 0.00 C ATOM 1032 C LYS A 69 -10.580 4.936 -13.764 1.00 0.00 C ATOM 1033 O LYS A 69 -11.200 5.904 -13.328 1.00 0.00 O ATOM 1034 CB LYS A 69 -11.705 2.711 -13.423 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.024 2.011 -13.782 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.359 0.833 -12.851 1.00 0.00 C ATOM 1037 CE LYS A 69 -13.303 1.174 -11.356 1.00 0.00 C ATOM 1038 NZ LYS A 69 -14.178 2.310 -11.015 1.00 0.00 N ATOM 0 H LYS A 69 -10.591 2.209 -15.582 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.271 4.226 -14.849 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.901 1.976 -13.379 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.785 3.155 -12.431 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.835 2.738 -13.744 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.968 1.649 -14.809 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.358 0.468 -13.091 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.664 0.017 -13.052 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.599 0.301 -10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.276 1.411 -11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.189 2.442 -9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.820 3.173 -11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.144 2.117 -11.349 1.00 0.00 H new ATOM 1130 N ILE A 75 1.836 1.867 -17.339 1.00 0.00 N ATOM 1131 CA ILE A 75 2.206 1.125 -16.138 1.00 0.00 C ATOM 1132 C ILE A 75 3.741 1.024 -16.100 1.00 0.00 C ATOM 1133 O ILE A 75 4.353 1.123 -17.164 1.00 0.00 O ATOM 1134 CB ILE A 75 1.544 -0.270 -16.155 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.850 -1.021 -17.463 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.031 -0.161 -15.909 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.287 -2.438 -17.453 1.00 0.00 C ATOM 0 HA ILE A 75 1.856 1.636 -15.241 1.00 0.00 H new ATOM 0 HB ILE A 75 1.973 -0.854 -15.340 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.430 -0.470 -18.304 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.929 -1.060 -17.615 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.413 -1.156 -15.926 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.147 0.300 -14.937 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.421 0.451 -16.689 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.526 -2.931 -18.395 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.727 -2.998 -16.628 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.205 -2.399 -17.329 1.00 0.00 H new ATOM 1149 N PRO A 76 4.386 0.827 -14.934 1.00 0.00 N ATOM 1150 CA PRO A 76 3.795 0.712 -13.608 1.00 0.00 C ATOM 1151 C PRO A 76 3.207 2.051 -13.184 1.00 0.00 C ATOM 1152 O PRO A 76 3.756 3.097 -13.524 1.00 0.00 O ATOM 1153 CB PRO A 76 4.938 0.319 -12.668 1.00 0.00 C ATOM 1154 CG PRO A 76 6.181 0.862 -13.370 1.00 0.00 C ATOM 1155 CD PRO A 76 5.831 0.731 -14.851 1.00 0.00 C ATOM 0 HA PRO A 76 2.991 -0.024 -13.589 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.812 0.758 -11.678 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.993 -0.761 -12.533 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.380 1.897 -13.093 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.071 0.287 -13.114 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.308 1.518 -15.435 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.182 -0.220 -15.252 1.00 0.00 H new ATOM 1163 N THR A 77 2.096 2.010 -12.449 1.00 0.00 N ATOM 1164 CA THR A 77 1.424 3.196 -11.947 1.00 0.00 C ATOM 1165 C THR A 77 0.966 2.868 -10.528 1.00 0.00 C ATOM 1166 O THR A 77 0.353 1.820 -10.315 1.00 0.00 O ATOM 1167 CB THR A 77 0.297 3.602 -12.903 1.00 0.00 C ATOM 1168 OG1 THR A 77 0.876 4.012 -14.125 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.511 4.774 -12.353 1.00 0.00 C ATOM 0 H THR A 77 1.636 1.139 -12.185 1.00 0.00 H new ATOM 0 HA THR A 77 2.076 4.068 -11.902 1.00 0.00 H new ATOM 0 HB THR A 77 -0.367 2.747 -13.032 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.169 4.274 -14.750 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.301 5.034 -13.058 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.955 4.494 -11.398 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.145 5.633 -12.210 1.00 0.00 H new ATOM 1177 N LEU A 78 1.322 3.728 -9.570 1.00 0.00 N ATOM 1178 CA LEU A 78 1.105 3.531 -8.147 1.00 0.00 C ATOM 1179 C LEU A 78 0.045 4.510 -7.648 1.00 0.00 C ATOM 1180 O LEU A 78 0.326 5.703 -7.546 1.00 0.00 O ATOM 1181 CB LEU A 78 2.437 3.748 -7.403 1.00 0.00 C ATOM 1182 CG LEU A 78 3.670 3.074 -8.030 1.00 0.00 C ATOM 1183 CD1 LEU A 78 4.908 3.391 -7.183 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.503 1.554 -8.115 1.00 0.00 C ATOM 0 H LEU A 78 1.786 4.612 -9.779 1.00 0.00 H new ATOM 0 HA LEU A 78 0.752 2.517 -7.959 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.625 4.820 -7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.326 3.382 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 78 3.785 3.463 -9.042 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.783 2.915 -7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.060 4.470 -7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.762 3.014 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.394 1.115 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.362 1.147 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.634 1.317 -8.729 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.161 4.025 -7.328 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.243 4.853 -6.797 1.00 0.00 C ATOM 1198 C LEU A 79 -2.231 4.732 -5.276 1.00 0.00 C ATOM 1199 O LEU A 79 -2.426 3.632 -4.754 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.609 4.406 -7.331 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.999 5.010 -8.684 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -3.007 4.653 -9.788 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.416 4.578 -9.064 1.00 0.00 C ATOM 0 H LEU A 79 -1.412 3.042 -7.432 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.085 5.885 -7.111 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.611 3.320 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.373 4.667 -6.599 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.973 6.095 -8.578 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.329 5.105 -10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.018 5.029 -9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.965 3.570 -9.903 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.683 5.013 -10.027 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.459 3.491 -9.132 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.117 4.922 -8.304 1.00 0.00 H new ATOM 1215 N LEU A 80 -2.011 5.844 -4.572 1.00 0.00 N ATOM 1216 CA LEU A 80 -1.975 5.878 -3.119 1.00 0.00 C ATOM 1217 C LEU A 80 -3.338 6.323 -2.588 1.00 0.00 C ATOM 1218 O LEU A 80 -3.642 7.515 -2.566 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.816 6.779 -2.676 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.577 6.840 -1.157 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -0.845 5.524 -0.415 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.892 7.208 -0.935 1.00 0.00 C ATOM 0 H LEU A 80 -1.852 6.754 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.790 4.889 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.098 6.431 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.003 7.790 -3.039 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.279 7.572 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.651 5.660 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.885 5.230 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.190 4.746 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.096 7.260 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.530 6.450 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.097 8.176 -1.391 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.153 5.358 -2.162 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.485 5.552 -1.617 1.00 0.00 C ATOM 1236 C PHE A 81 -5.411 5.704 -0.098 1.00 0.00 C ATOM 1237 O PHE A 81 -5.266 4.707 0.606 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.368 4.342 -1.958 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.746 4.207 -3.419 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.897 3.521 -4.307 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.004 4.650 -3.863 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.316 3.268 -5.624 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.420 4.401 -5.181 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.562 3.740 -6.074 1.00 0.00 C ATOM 0 H PHE A 81 -3.884 4.375 -2.192 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.914 6.454 -2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.848 3.435 -1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.282 4.402 -1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.924 3.189 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.654 5.185 -3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.679 2.709 -6.293 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.400 4.718 -5.507 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.858 3.595 -7.103 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.528 7.450 -0.544 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.346 8.665 -1.328 1.00 0.00 C ATOM 1299 C GLU A 85 -7.970 8.663 -1.996 1.00 0.00 C ATOM 1300 O GLU A 85 -6.953 8.598 -1.308 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.498 9.893 -0.419 1.00 0.00 C ATOM 1302 CG GLU A 85 -10.849 9.904 0.308 1.00 0.00 C ATOM 1303 CD GLU A 85 -11.038 11.193 1.100 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -10.308 11.359 2.102 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -11.899 11.998 0.682 1.00 0.00 O ATOM 0 HA GLU A 85 -10.106 8.705 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.691 9.904 0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.399 10.800 -1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.656 9.798 -0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.910 9.048 0.981 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.923 8.755 -3.330 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.669 8.825 -4.068 1.00 0.00 C ATOM 1314 C VAL A 86 -5.932 10.108 -3.664 1.00 0.00 C ATOM 1315 O VAL A 86 -6.325 11.199 -4.068 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.934 8.782 -5.584 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.622 8.902 -6.374 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.603 7.465 -5.988 1.00 0.00 C ATOM 0 H VAL A 86 -8.754 8.783 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.044 7.965 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.590 9.621 -5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.836 8.869 -7.442 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.136 9.847 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.962 8.076 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.779 7.461 -7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.953 6.631 -5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.554 7.364 -5.465 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.867 9.977 -2.873 1.00 0.00 N ATOM 1329 CA ALA A 87 -4.059 11.098 -2.417 1.00 0.00 C ATOM 1330 C ALA A 87 -3.097 11.526 -3.522 1.00 0.00 C ATOM 1331 O ALA A 87 -2.936 12.717 -3.778 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.299 10.700 -1.151 1.00 0.00 C ATOM 0 H ALA A 87 -4.540 9.074 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.704 11.944 -2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.694 11.540 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.009 10.425 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.651 9.851 -1.368 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.462 10.557 -4.187 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.529 10.814 -5.271 1.00 0.00 C ATOM 1340 C ALA A 88 -1.411 9.573 -6.152 1.00 0.00 C ATOM 1341 O ALA A 88 -1.724 8.463 -5.714 1.00 0.00 O ATOM 1342 CB ALA A 88 -0.162 11.210 -4.707 1.00 0.00 C ATOM 0 H ALA A 88 -2.587 9.566 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.900 11.640 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.529 11.400 -5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.265 12.112 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.224 10.401 -4.088 1.00 0.00 H new ATOM 1348 N THR A 89 -0.966 9.778 -7.394 1.00 0.00 N ATOM 1349 CA THR A 89 -0.798 8.742 -8.397 1.00 0.00 C ATOM 1350 C THR A 89 0.584 8.895 -9.031 1.00 0.00 C ATOM 1351 O THR A 89 0.803 9.881 -9.736 1.00 0.00 O ATOM 1352 CB THR A 89 -1.909 8.881 -9.450 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.839 10.133 -10.107 1.00 0.00 O ATOM 1354 CG2 THR A 89 -3.290 8.808 -8.795 1.00 0.00 C ATOM 0 H THR A 89 -0.706 10.704 -7.733 1.00 0.00 H new ATOM 0 HA THR A 89 -0.870 7.751 -7.949 1.00 0.00 H new ATOM 0 HB THR A 89 -1.767 8.066 -10.159 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.916 10.462 -10.087 1.00 0.00 H new ATOM 0 HG21 THR A 89 -4.061 8.909 -9.559 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.403 7.849 -8.290 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.391 9.615 -8.069 1.00 0.00 H new ATOM 1362 N LYS A 90 1.508 7.956 -8.811 1.00 0.00 N ATOM 1363 CA LYS A 90 2.837 8.039 -9.403 1.00 0.00 C ATOM 1364 C LYS A 90 2.858 7.150 -10.641 1.00 0.00 C ATOM 1365 O LYS A 90 2.795 5.929 -10.517 1.00 0.00 O ATOM 1366 CB LYS A 90 3.916 7.670 -8.373 1.00 0.00 C ATOM 1367 CG LYS A 90 5.315 8.167 -8.779 1.00 0.00 C ATOM 1368 CD LYS A 90 6.027 7.236 -9.774 1.00 0.00 C ATOM 1369 CE LYS A 90 7.286 7.883 -10.364 1.00 0.00 C ATOM 1370 NZ LYS A 90 6.955 8.955 -11.320 1.00 0.00 N ATOM 0 H LYS A 90 1.357 7.133 -8.228 1.00 0.00 H new ATOM 0 HA LYS A 90 3.064 9.060 -9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.650 8.095 -7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.941 6.587 -8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.226 9.159 -9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.930 8.270 -7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.298 6.307 -9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.342 6.974 -10.580 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.897 8.291 -9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.885 7.122 -10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.824 9.286 -11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.297 8.589 -12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.510 9.747 -10.813 1.00 0.00 H new ATOM 1384 N VAL A 91 2.953 7.756 -11.825 1.00 0.00 N ATOM 1385 CA VAL A 91 3.033 7.048 -13.096 1.00 0.00 C ATOM 1386 C VAL A 91 4.514 6.822 -13.407 1.00 0.00 C ATOM 1387 O VAL A 91 5.303 7.763 -13.330 1.00 0.00 O ATOM 1388 CB VAL A 91 2.349 7.879 -14.199 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.419 7.161 -15.555 1.00 0.00 C ATOM 1390 CG2 VAL A 91 0.876 8.145 -13.864 1.00 0.00 C ATOM 0 H VAL A 91 2.977 8.771 -11.926 1.00 0.00 H new ATOM 0 HA VAL A 91 2.520 6.088 -13.045 1.00 0.00 H new ATOM 0 HB VAL A 91 2.885 8.827 -14.257 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.929 7.770 -16.315 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.462 7.006 -15.831 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.916 6.197 -15.483 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.422 8.733 -14.661 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.348 7.196 -13.767 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.810 8.695 -12.925 1.00 0.00 H new ATOM 1400 N GLY A 92 4.894 5.591 -13.750 1.00 0.00 N ATOM 1401 CA GLY A 92 6.263 5.222 -14.080 1.00 0.00 C ATOM 1402 C GLY A 92 7.007 4.653 -12.872 1.00 0.00 C ATOM 1403 O GLY A 92 6.581 4.805 -11.728 1.00 0.00 O ATOM 0 H GLY A 92 4.242 4.809 -13.806 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.257 4.485 -14.883 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.795 6.097 -14.455 1.00 0.00 H new ATOM 1407 N ALA A 93 8.132 3.984 -13.139 1.00 0.00 N ATOM 1408 CA ALA A 93 8.975 3.401 -12.104 1.00 0.00 C ATOM 1409 C ALA A 93 9.763 4.498 -11.382 1.00 0.00 C ATOM 1410 O ALA A 93 9.834 5.632 -11.852 1.00 0.00 O ATOM 1411 CB ALA A 93 9.916 2.371 -12.738 1.00 0.00 C ATOM 0 H ALA A 93 8.481 3.834 -14.086 1.00 0.00 H new ATOM 0 HA ALA A 93 8.352 2.898 -11.365 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.549 1.933 -11.966 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.328 1.586 -13.215 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.541 2.861 -13.485 1.00 0.00 H new ATOM 1417 N LEU A 94 10.373 4.153 -10.246 1.00 0.00 N ATOM 1418 CA LEU A 94 11.170 5.055 -9.431 1.00 0.00 C ATOM 1419 C LEU A 94 12.063 4.221 -8.515 1.00 0.00 C ATOM 1420 O LEU A 94 11.849 3.015 -8.391 1.00 0.00 O ATOM 1421 CB LEU A 94 10.273 6.030 -8.649 1.00 0.00 C ATOM 1422 CG LEU A 94 9.491 5.432 -7.464 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.633 6.536 -6.839 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.573 4.263 -7.851 1.00 0.00 C ATOM 0 H LEU A 94 10.321 3.210 -9.862 1.00 0.00 H new ATOM 0 HA LEU A 94 11.804 5.673 -10.066 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.895 6.843 -8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.558 6.471 -9.344 1.00 0.00 H new ATOM 0 HG LEU A 94 10.230 5.037 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.072 6.129 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.277 7.343 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.938 6.923 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.057 3.896 -6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.840 4.603 -8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.170 3.459 -8.282 1.00 0.00 H new ATOM 1436 N SER A 95 13.055 4.850 -7.886 1.00 0.00 N ATOM 1437 CA SER A 95 13.970 4.165 -6.987 1.00 0.00 C ATOM 1438 C SER A 95 13.358 4.042 -5.590 1.00 0.00 C ATOM 1439 O SER A 95 12.433 4.775 -5.235 1.00 0.00 O ATOM 1440 CB SER A 95 15.313 4.905 -6.947 1.00 0.00 C ATOM 1441 OG SER A 95 15.145 6.244 -6.513 1.00 0.00 O ATOM 0 H SER A 95 13.243 5.847 -7.988 1.00 0.00 H new ATOM 0 HA SER A 95 14.148 3.156 -7.358 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.998 4.386 -6.277 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.767 4.895 -7.938 1.00 0.00 H new ATOM 0 HG SER A 95 14.793 6.785 -7.250 1.00 0.00 H new ATOM 1447 N LYS A 96 13.902 3.127 -4.782 1.00 0.00 N ATOM 1448 CA LYS A 96 13.462 2.900 -3.413 1.00 0.00 C ATOM 1449 C LYS A 96 13.460 4.215 -2.624 1.00 0.00 C ATOM 1450 O LYS A 96 12.516 4.496 -1.893 1.00 0.00 O ATOM 1451 CB LYS A 96 14.357 1.827 -2.776 1.00 0.00 C ATOM 1452 CG LYS A 96 13.847 1.371 -1.403 1.00 0.00 C ATOM 1453 CD LYS A 96 14.642 0.144 -0.938 1.00 0.00 C ATOM 1454 CE LYS A 96 14.120 -0.356 0.413 1.00 0.00 C ATOM 1455 NZ LYS A 96 14.821 -1.575 0.847 1.00 0.00 N ATOM 0 H LYS A 96 14.669 2.519 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 96 12.435 2.534 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.415 0.966 -3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.369 2.219 -2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.950 2.179 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.786 1.129 -1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.563 -0.650 -1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.698 0.399 -0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.246 0.424 1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.051 -0.557 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.442 -1.885 1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.679 -2.326 0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.837 -1.376 0.941 1.00 0.00 H new ATOM 1469 N GLY A 97 14.505 5.032 -2.792 1.00 0.00 N ATOM 1470 CA GLY A 97 14.611 6.326 -2.133 1.00 0.00 C ATOM 1471 C GLY A 97 13.445 7.236 -2.523 1.00 0.00 C ATOM 1472 O GLY A 97 12.728 7.737 -1.658 1.00 0.00 O ATOM 0 H GLY A 97 15.300 4.809 -3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.623 6.188 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.554 6.800 -2.405 1.00 0.00 H new ATOM 1476 N GLN A 98 13.237 7.436 -3.829 1.00 0.00 N ATOM 1477 CA GLN A 98 12.142 8.262 -4.324 1.00 0.00 C ATOM 1478 C GLN A 98 10.811 7.754 -3.767 1.00 0.00 C ATOM 1479 O GLN A 98 9.991 8.538 -3.290 1.00 0.00 O ATOM 1480 CB GLN A 98 12.127 8.255 -5.856 1.00 0.00 C ATOM 1481 CG GLN A 98 13.284 9.064 -6.446 1.00 0.00 C ATOM 1482 CD GLN A 98 13.313 8.926 -7.964 1.00 0.00 C ATOM 1483 OE1 GLN A 98 14.010 7.911 -8.467 1.00 0.00 O flip ATOM 1484 NE2 GLN A 98 12.708 9.713 -8.680 1.00 0.00 N flip ATOM 0 H GLN A 98 13.819 7.032 -4.563 1.00 0.00 H new ATOM 0 HA GLN A 98 12.289 9.288 -3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.184 7.227 -6.214 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.181 8.664 -6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.178 10.114 -6.172 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.228 8.719 -6.025 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.182 10.481 -8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 98 12.729 9.600 -9.694 1.00 0.00 H new ATOM 1493 N LEU A 99 10.605 6.436 -3.819 1.00 0.00 N ATOM 1494 CA LEU A 99 9.400 5.814 -3.302 1.00 0.00 C ATOM 1495 C LEU A 99 9.240 6.143 -1.816 1.00 0.00 C ATOM 1496 O LEU A 99 8.186 6.628 -1.415 1.00 0.00 O ATOM 1497 CB LEU A 99 9.418 4.312 -3.615 1.00 0.00 C ATOM 1498 CG LEU A 99 8.151 3.550 -3.198 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.852 4.191 -3.703 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.235 2.130 -3.767 1.00 0.00 C ATOM 0 H LEU A 99 11.272 5.777 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 99 8.515 6.216 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.567 4.181 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.276 3.862 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 99 8.114 3.565 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.000 3.598 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.767 5.203 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.864 4.228 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.344 1.571 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.302 2.177 -4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.119 1.631 -3.370 1.00 0.00 H new ATOM 1512 N LYS A 100 10.277 5.934 -0.999 1.00 0.00 N ATOM 1513 CA LYS A 100 10.236 6.268 0.420 1.00 0.00 C ATOM 1514 C LYS A 100 9.825 7.726 0.631 1.00 0.00 C ATOM 1515 O LYS A 100 8.924 7.997 1.424 1.00 0.00 O ATOM 1516 CB LYS A 100 11.584 5.988 1.092 1.00 0.00 C ATOM 1517 CG LYS A 100 11.750 4.498 1.385 1.00 0.00 C ATOM 1518 CD LYS A 100 13.130 4.234 1.996 1.00 0.00 C ATOM 1519 CE LYS A 100 13.220 2.804 2.537 1.00 0.00 C ATOM 1520 NZ LYS A 100 12.444 2.635 3.778 1.00 0.00 N ATOM 0 H LYS A 100 11.162 5.530 -1.305 1.00 0.00 H new ATOM 0 HA LYS A 100 9.484 5.631 0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.394 6.328 0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.657 6.555 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.970 4.165 2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.634 3.923 0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.902 4.392 1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.319 4.945 2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.854 2.107 1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.264 2.552 2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.612 1.685 4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.740 3.350 4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.431 2.751 3.573 1.00 0.00 H new ATOM 1534 N GLU A 101 10.474 8.658 -0.074 1.00 0.00 N ATOM 1535 CA GLU A 101 10.151 10.076 0.039 1.00 0.00 C ATOM 1536 C GLU A 101 8.677 10.317 -0.303 1.00 0.00 C ATOM 1537 O GLU A 101 7.959 10.951 0.467 1.00 0.00 O ATOM 1538 CB GLU A 101 11.078 10.912 -0.854 1.00 0.00 C ATOM 1539 CG GLU A 101 12.541 10.876 -0.385 1.00 0.00 C ATOM 1540 CD GLU A 101 12.722 11.504 0.993 1.00 0.00 C ATOM 1541 OE1 GLU A 101 12.613 12.747 1.068 1.00 0.00 O ATOM 1542 OE2 GLU A 101 12.957 10.730 1.947 1.00 0.00 O ATOM 0 H GLU A 101 11.227 8.451 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 101 10.311 10.392 1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.019 10.543 -1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.730 11.945 -0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.887 9.843 -0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.165 11.403 -1.107 1.00 0.00 H new ATOM 1549 N PHE A 102 8.223 9.803 -1.450 1.00 0.00 N ATOM 1550 CA PHE A 102 6.839 9.929 -1.894 1.00 0.00 C ATOM 1551 C PHE A 102 5.880 9.425 -0.811 1.00 0.00 C ATOM 1552 O PHE A 102 4.951 10.127 -0.406 1.00 0.00 O ATOM 1553 CB PHE A 102 6.659 9.159 -3.210 1.00 0.00 C ATOM 1554 CG PHE A 102 5.228 9.053 -3.705 1.00 0.00 C ATOM 1555 CD1 PHE A 102 4.671 10.080 -4.490 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.467 7.902 -3.420 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.374 9.938 -5.019 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.170 7.766 -3.942 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.627 8.778 -4.751 1.00 0.00 C ATOM 0 H PHE A 102 8.814 9.284 -2.099 1.00 0.00 H new ATOM 0 HA PHE A 102 6.604 10.979 -2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.258 9.643 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.058 8.153 -3.081 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.239 10.977 -4.687 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.882 7.122 -2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.953 10.721 -5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.590 6.882 -3.721 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.637 8.665 -5.167 1.00 0.00 H new ATOM 1569 N LEU A 103 6.111 8.201 -0.333 1.00 0.00 N ATOM 1570 CA LEU A 103 5.290 7.584 0.695 1.00 0.00 C ATOM 1571 C LEU A 103 5.270 8.452 1.943 1.00 0.00 C ATOM 1572 O LEU A 103 4.196 8.782 2.433 1.00 0.00 O ATOM 1573 CB LEU A 103 5.806 6.180 1.018 1.00 0.00 C ATOM 1574 CG LEU A 103 5.622 5.205 -0.150 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.399 3.925 0.158 1.00 0.00 C ATOM 1576 CD2 LEU A 103 4.146 4.903 -0.423 1.00 0.00 C ATOM 0 H LEU A 103 6.879 7.611 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 103 4.270 7.494 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.863 6.236 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.282 5.796 1.894 1.00 0.00 H new ATOM 0 HG LEU A 103 6.010 5.666 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.279 3.220 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.456 4.162 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.017 3.480 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.065 4.208 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.696 4.458 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.625 5.828 -0.669 1.00 0.00 H new ATOM 1588 N ASP A 104 6.442 8.837 2.453 1.00 0.00 N ATOM 1589 CA ASP A 104 6.545 9.680 3.635 1.00 0.00 C ATOM 1590 C ASP A 104 5.726 10.958 3.448 1.00 0.00 C ATOM 1591 O ASP A 104 4.882 11.282 4.282 1.00 0.00 O ATOM 1592 CB ASP A 104 8.015 10.001 3.924 1.00 0.00 C ATOM 1593 CG ASP A 104 8.139 10.893 5.153 1.00 0.00 C ATOM 1594 OD1 ASP A 104 8.098 10.327 6.267 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.259 12.121 4.956 1.00 0.00 O ATOM 0 H ASP A 104 7.343 8.571 2.055 1.00 0.00 H new ATOM 0 HA ASP A 104 6.139 9.144 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.570 9.076 4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.461 10.497 3.062 1.00 0.00 H new ATOM 1600 N ALA A 105 5.966 11.667 2.342 1.00 0.00 N ATOM 1601 CA ALA A 105 5.278 12.905 2.010 1.00 0.00 C ATOM 1602 C ALA A 105 3.759 12.727 1.983 1.00 0.00 C ATOM 1603 O ALA A 105 3.029 13.605 2.437 1.00 0.00 O ATOM 1604 CB ALA A 105 5.790 13.432 0.667 1.00 0.00 C ATOM 0 H ALA A 105 6.656 11.388 1.645 1.00 0.00 H new ATOM 0 HA ALA A 105 5.495 13.634 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.274 14.360 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.862 13.620 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.600 12.692 -0.111 1.00 0.00 H new ATOM 1610 N ASN A 106 3.273 11.595 1.459 1.00 0.00 N ATOM 1611 CA ASN A 106 1.836 11.361 1.351 1.00 0.00 C ATOM 1612 C ASN A 106 1.256 10.957 2.703 1.00 0.00 C ATOM 1613 O ASN A 106 0.231 11.494 3.111 1.00 0.00 O ATOM 1614 CB ASN A 106 1.546 10.260 0.328 1.00 0.00 C ATOM 1615 CG ASN A 106 1.479 10.791 -1.098 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.399 11.100 -1.594 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.617 10.887 -1.775 1.00 0.00 N ATOM 0 H ASN A 106 3.853 10.834 1.106 1.00 0.00 H new ATOM 0 HA ASN A 106 1.369 12.289 1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.321 9.496 0.392 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.601 9.777 0.577 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.611 11.226 -2.737 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.497 10.622 -1.333 1.00 0.00 H new ATOM 1624 N LEU A 107 1.896 10.019 3.404 1.00 0.00 N ATOM 1625 CA LEU A 107 1.454 9.561 4.715 1.00 0.00 C ATOM 1626 C LEU A 107 1.395 10.755 5.669 1.00 0.00 C ATOM 1627 O LEU A 107 0.395 10.957 6.354 1.00 0.00 O ATOM 1628 CB LEU A 107 2.385 8.456 5.240 1.00 0.00 C ATOM 1629 CG LEU A 107 2.274 7.141 4.449 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.484 6.251 4.757 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.990 6.375 4.794 1.00 0.00 C ATOM 0 H LEU A 107 2.741 9.555 3.072 1.00 0.00 H new ATOM 0 HA LEU A 107 0.456 9.130 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.415 8.810 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.154 8.263 6.287 1.00 0.00 H new ATOM 0 HG LEU A 107 2.246 7.395 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.403 5.320 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.399 6.769 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.511 6.030 5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.950 5.453 4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.984 6.136 5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.123 6.992 4.556 1.00 0.00 H new ATOM 1643 N ALA A 108 2.454 11.571 5.690 1.00 0.00 N ATOM 1644 CA ALA A 108 2.505 12.775 6.505 1.00 0.00 C ATOM 1645 C ALA A 108 1.406 13.740 6.063 1.00 0.00 C ATOM 1646 O ALA A 108 1.084 14.685 6.780 1.00 0.00 O ATOM 1647 CB ALA A 108 3.887 13.422 6.382 1.00 0.00 C ATOM 0 H ALA A 108 3.297 11.409 5.140 1.00 0.00 H new ATOM 0 HA ALA A 108 2.338 12.520 7.552 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.922 14.324 6.993 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.649 12.721 6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.075 13.682 5.340 1.00 0.00 H new