USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 570 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 123 MET CE :methyl -118:sc= -7.48! (180deg=-13.9!) USER MOD Set 1.2: A 125 ASN : amide:sc= -0.964 K(o=-8.4,f=-11!) USER MOD Single : A 81 HIS : no HE2:sc= -4.43! C(o=-4.4!,f=-4.6!) USER MOD Single : A 85 SER OG : rot -109:sc= -3.15! USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.1!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.362 K(o=-0.36,f=-2.8!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 116 CYS SG : rot -113:sc= -3.77! USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 151:sc= -0.59 (180deg=-2.26!) USER MOD Single : A 124 MET CE :methyl 144:sc= -7! (180deg=-8.28!) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 131 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0619) USER MOD Single : A 132 SER OG : rot 180:sc= 0.183 USER MOD Single : A 134 THR OG1 : rot -160:sc= -1.75! USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot -170:sc= -2.2! USER MOD Single : A 144 GLN : amide:sc= -0.616 K(o=-0.62,f=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 80 11.974 8.687 -2.862 1.00 0.00 N ATOM 47 CA GLY A 80 11.204 7.686 -3.575 1.00 0.00 C ATOM 48 C GLY A 80 9.918 8.245 -4.148 1.00 0.00 C ATOM 49 O GLY A 80 9.932 8.936 -5.168 1.00 0.00 O ATOM 0 HA2 GLY A 80 11.809 7.274 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.970 6.863 -2.900 1.00 0.00 H new ATOM 53 N HIS A 81 8.800 7.946 -3.494 1.00 0.00 N ATOM 54 CA HIS A 81 7.500 8.424 -3.946 1.00 0.00 C ATOM 55 C HIS A 81 6.419 8.124 -2.914 1.00 0.00 C ATOM 56 O HIS A 81 6.717 7.772 -1.772 1.00 0.00 O ATOM 57 CB HIS A 81 7.134 7.780 -5.285 1.00 0.00 C ATOM 58 CG HIS A 81 6.874 6.308 -5.189 1.00 0.00 C ATOM 59 ND1 HIS A 81 5.611 5.760 -5.257 1.00 0.00 N ATOM 60 CD2 HIS A 81 7.726 5.266 -5.028 1.00 0.00 C ATOM 61 CE1 HIS A 81 5.696 4.447 -5.142 1.00 0.00 C ATOM 62 NE2 HIS A 81 6.968 4.122 -5.003 1.00 0.00 N ATOM 0 H HIS A 81 8.769 7.375 -2.649 1.00 0.00 H new ATOM 0 HA HIS A 81 7.564 9.505 -4.074 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.248 8.272 -5.686 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.943 7.952 -5.995 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.746 6.286 -5.377 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.800 5.325 -4.936 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.866 3.756 -5.159 1.00 0.00 H new ATOM 71 N ILE A 82 5.163 8.263 -3.324 1.00 0.00 N ATOM 72 CA ILE A 82 4.037 8.005 -2.436 1.00 0.00 C ATOM 73 C ILE A 82 2.909 7.294 -3.174 1.00 0.00 C ATOM 74 O ILE A 82 2.301 7.854 -4.086 1.00 0.00 O ATOM 75 CB ILE A 82 3.493 9.310 -1.826 1.00 0.00 C ATOM 76 CG1 ILE A 82 4.591 10.025 -1.037 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.294 9.020 -0.936 1.00 0.00 C ATOM 78 CD1 ILE A 82 4.069 11.092 -0.099 1.00 0.00 C ATOM 0 H ILE A 82 4.900 8.553 -4.266 1.00 0.00 H new ATOM 0 HA ILE A 82 4.405 7.364 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 82 3.168 9.965 -2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.150 9.288 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.292 10.480 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.921 9.953 -0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.508 8.550 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.593 8.349 -0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.904 11.555 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.535 11.850 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.391 10.640 0.625 1.00 0.00 H new ATOM 90 N VAL A 83 2.633 6.057 -2.773 1.00 0.00 N ATOM 91 CA VAL A 83 1.578 5.270 -3.397 1.00 0.00 C ATOM 92 C VAL A 83 0.201 5.797 -3.013 1.00 0.00 C ATOM 93 O VAL A 83 -0.326 5.471 -1.950 1.00 0.00 O ATOM 94 CB VAL A 83 1.675 3.785 -3.001 1.00 0.00 C ATOM 95 CG1 VAL A 83 0.807 2.929 -3.910 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.121 3.317 -3.037 1.00 0.00 C ATOM 0 H VAL A 83 3.126 5.579 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 83 1.712 5.360 -4.475 1.00 0.00 H new ATOM 0 HB VAL A 83 1.307 3.676 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.890 1.883 -3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.232 3.248 -3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.140 3.041 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.170 2.265 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.519 3.441 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.712 3.909 -2.338 1.00 0.00 H new ATOM 106 N ARG A 84 -0.378 6.615 -3.887 1.00 0.00 N ATOM 107 CA ARG A 84 -1.695 7.190 -3.641 1.00 0.00 C ATOM 108 C ARG A 84 -2.793 6.292 -4.203 1.00 0.00 C ATOM 109 O ARG A 84 -2.773 5.932 -5.381 1.00 0.00 O ATOM 110 CB ARG A 84 -1.790 8.584 -4.262 1.00 0.00 C ATOM 111 CG ARG A 84 -2.042 9.687 -3.246 1.00 0.00 C ATOM 112 CD ARG A 84 -1.444 11.010 -3.697 1.00 0.00 C ATOM 113 NE ARG A 84 -1.704 11.279 -5.109 1.00 0.00 N ATOM 114 CZ ARG A 84 -0.870 10.954 -6.094 1.00 0.00 C ATOM 115 NH1 ARG A 84 0.280 10.346 -5.828 1.00 0.00 N ATOM 116 NH2 ARG A 84 -1.185 11.236 -7.350 1.00 0.00 N ATOM 0 H ARG A 84 0.045 6.894 -4.772 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.834 7.271 -2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.865 8.798 -4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.593 8.590 -4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.115 9.805 -3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.614 9.402 -2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.856 11.818 -3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.368 10.999 -3.523 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.578 11.744 -5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.529 10.125 -4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.914 10.100 -6.588 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.067 11.702 -7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.545 10.987 -8.104 1.00 0.00 H new ATOM 130 N SER A 85 -3.749 5.933 -3.353 1.00 0.00 N ATOM 131 CA SER A 85 -4.857 5.077 -3.762 1.00 0.00 C ATOM 132 C SER A 85 -5.509 5.599 -5.037 1.00 0.00 C ATOM 133 O SER A 85 -6.204 6.616 -5.021 1.00 0.00 O ATOM 134 CB SER A 85 -5.897 4.986 -2.644 1.00 0.00 C ATOM 135 OG SER A 85 -6.886 4.016 -2.945 1.00 0.00 O ATOM 0 H SER A 85 -3.779 6.222 -2.375 1.00 0.00 H new ATOM 0 HA SER A 85 -4.459 4.082 -3.962 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.405 4.729 -1.706 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.368 5.958 -2.501 1.00 0.00 H new ATOM 0 HG SER A 85 -7.732 4.465 -3.152 1.00 0.00 H new ATOM 141 N PRO A 86 -5.294 4.904 -6.163 1.00 0.00 N ATOM 142 CA PRO A 86 -5.864 5.292 -7.457 1.00 0.00 C ATOM 143 C PRO A 86 -7.377 5.464 -7.388 1.00 0.00 C ATOM 144 O PRO A 86 -7.937 6.385 -7.984 1.00 0.00 O ATOM 145 CB PRO A 86 -5.499 4.124 -8.375 1.00 0.00 C ATOM 146 CG PRO A 86 -4.305 3.497 -7.741 1.00 0.00 C ATOM 147 CD PRO A 86 -4.481 3.680 -6.260 1.00 0.00 C ATOM 0 HA PRO A 86 -5.481 6.253 -7.801 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.322 3.414 -8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.275 4.470 -9.384 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -4.236 2.440 -7.998 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.386 3.970 -8.086 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.984 2.826 -5.806 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.523 3.792 -5.752 1.00 0.00 H new ATOM 155 N MET A 87 -8.032 4.572 -6.653 1.00 0.00 N ATOM 156 CA MET A 87 -9.481 4.621 -6.499 1.00 0.00 C ATOM 157 C MET A 87 -9.871 4.482 -5.032 1.00 0.00 C ATOM 158 O MET A 87 -9.030 4.610 -4.142 1.00 0.00 O ATOM 159 CB MET A 87 -10.142 3.515 -7.323 1.00 0.00 C ATOM 160 CG MET A 87 -9.297 3.042 -8.494 1.00 0.00 C ATOM 161 SD MET A 87 -9.305 4.206 -9.872 1.00 0.00 S ATOM 162 CE MET A 87 -9.197 3.083 -11.262 1.00 0.00 C ATOM 0 H MET A 87 -7.581 3.805 -6.154 1.00 0.00 H new ATOM 0 HA MET A 87 -9.830 5.588 -6.862 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.354 2.666 -6.673 1.00 0.00 H new ATOM 0 HB3 MET A 87 -11.099 3.876 -7.699 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.271 2.889 -8.158 1.00 0.00 H new ATOM 0 HG3 MET A 87 -9.667 2.076 -8.837 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.192 3.653 -12.191 1.00 0.00 H new ATOM 0 HE2 MET A 87 -8.279 2.500 -11.189 1.00 0.00 H new ATOM 0 HE3 MET A 87 -10.055 2.411 -11.254 1.00 0.00 H new ATOM 172 N VAL A 88 -11.149 4.219 -4.785 1.00 0.00 N ATOM 173 CA VAL A 88 -11.645 4.064 -3.423 1.00 0.00 C ATOM 174 C VAL A 88 -11.678 2.597 -3.012 1.00 0.00 C ATOM 175 O VAL A 88 -11.763 1.706 -3.857 1.00 0.00 O ATOM 176 CB VAL A 88 -13.055 4.660 -3.265 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.641 4.289 -1.912 1.00 0.00 C ATOM 178 CG2 VAL A 88 -13.020 6.170 -3.445 1.00 0.00 C ATOM 0 H VAL A 88 -11.859 4.109 -5.509 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.956 4.605 -2.775 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.697 4.241 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.638 4.719 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.704 3.204 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -13.002 4.678 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.026 6.574 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.364 6.611 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.645 6.409 -4.440 1.00 0.00 H new ATOM 188 N GLY A 89 -11.610 2.354 -1.707 1.00 0.00 N ATOM 189 CA GLY A 89 -11.634 0.994 -1.202 1.00 0.00 C ATOM 190 C GLY A 89 -11.355 0.925 0.286 1.00 0.00 C ATOM 191 O GLY A 89 -11.969 1.646 1.074 1.00 0.00 O ATOM 0 H GLY A 89 -11.539 3.076 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.608 0.550 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.894 0.398 -1.736 1.00 0.00 H new ATOM 195 N THR A 90 -10.426 0.057 0.673 1.00 0.00 N ATOM 196 CA THR A 90 -10.067 -0.102 2.077 1.00 0.00 C ATOM 197 C THR A 90 -8.636 -0.614 2.218 1.00 0.00 C ATOM 198 O THR A 90 -8.326 -1.736 1.816 1.00 0.00 O ATOM 199 CB THR A 90 -11.037 -1.063 2.768 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.324 -0.983 2.183 1.00 0.00 O ATOM 201 CG2 THR A 90 -11.188 -0.797 4.251 1.00 0.00 C ATOM 0 H THR A 90 -9.908 -0.547 0.034 1.00 0.00 H new ATOM 0 HA THR A 90 -10.133 0.875 2.556 1.00 0.00 H new ATOM 0 HB THR A 90 -10.605 -2.055 2.636 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.929 -1.606 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.889 -1.513 4.680 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.219 -0.901 4.740 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.564 0.215 4.403 1.00 0.00 H new ATOM 209 N PHE A 91 -7.769 0.215 2.791 1.00 0.00 N ATOM 210 CA PHE A 91 -6.371 -0.154 2.984 1.00 0.00 C ATOM 211 C PHE A 91 -6.240 -1.282 3.999 1.00 0.00 C ATOM 212 O PHE A 91 -7.204 -1.628 4.685 1.00 0.00 O ATOM 213 CB PHE A 91 -5.561 1.060 3.445 1.00 0.00 C ATOM 214 CG PHE A 91 -4.076 0.872 3.320 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.486 0.696 2.073 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.266 0.872 4.450 1.00 0.00 C ATOM 217 CE1 PHE A 91 -2.117 0.523 1.955 1.00 0.00 C ATOM 218 CE2 PHE A 91 -1.895 0.700 4.338 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.320 0.526 3.090 1.00 0.00 C ATOM 0 H PHE A 91 -8.010 1.146 3.130 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.979 -0.503 2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.860 1.930 2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.806 1.276 4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.103 0.694 1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.710 1.007 5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.671 0.386 0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.276 0.702 5.223 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.252 0.393 3.001 1.00 0.00 H new ATOM 229 N TYR A 92 -5.045 -1.855 4.093 1.00 0.00 N ATOM 230 CA TYR A 92 -4.794 -2.946 5.027 1.00 0.00 C ATOM 231 C TYR A 92 -3.302 -3.241 5.138 1.00 0.00 C ATOM 232 O TYR A 92 -2.523 -2.905 4.246 1.00 0.00 O ATOM 233 CB TYR A 92 -5.540 -4.202 4.584 1.00 0.00 C ATOM 234 CG TYR A 92 -6.942 -4.306 5.142 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.193 -4.085 6.495 1.00 0.00 C ATOM 236 CD2 TYR A 92 -8.017 -4.625 4.314 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.478 -4.180 7.007 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.304 -4.722 4.818 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.529 -4.499 6.165 1.00 0.00 C ATOM 240 OH TYR A 92 -10.806 -4.594 6.670 1.00 0.00 O ATOM 0 H TYR A 92 -4.236 -1.582 3.535 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.157 -2.640 6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.590 -4.219 3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.970 -5.079 4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.375 -3.836 7.154 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.844 -4.799 3.262 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.658 -4.006 8.058 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.127 -4.970 4.164 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.427 -4.824 5.948 1.00 0.00 H new ATOM 250 N ARG A 93 -2.911 -3.873 6.240 1.00 0.00 N ATOM 251 CA ARG A 93 -1.513 -4.219 6.467 1.00 0.00 C ATOM 252 C ARG A 93 -1.313 -5.729 6.406 1.00 0.00 C ATOM 253 O ARG A 93 -0.209 -6.209 6.147 1.00 0.00 O ATOM 254 CB ARG A 93 -1.043 -3.683 7.821 1.00 0.00 C ATOM 255 CG ARG A 93 -0.295 -2.363 7.724 1.00 0.00 C ATOM 256 CD ARG A 93 -1.123 -1.211 8.270 1.00 0.00 C ATOM 257 NE ARG A 93 -1.550 -1.447 9.645 1.00 0.00 N ATOM 258 CZ ARG A 93 -1.909 -0.478 10.481 1.00 0.00 C ATOM 259 NH1 ARG A 93 -1.892 0.786 10.080 1.00 0.00 N ATOM 260 NH2 ARG A 93 -2.287 -0.772 11.717 1.00 0.00 N ATOM 0 H ARG A 93 -3.543 -4.156 6.989 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.918 -3.758 5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.908 -3.555 8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.397 -4.424 8.292 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.642 -2.433 8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.037 -2.166 6.684 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.539 -0.292 8.225 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.999 -1.063 7.639 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.574 -2.409 9.984 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.603 1.016 9.129 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.168 1.529 10.723 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.303 -1.743 12.028 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.562 -0.027 12.357 1.00 0.00 H new ATOM 274 N THR A 94 -2.389 -6.473 6.641 1.00 0.00 N ATOM 275 CA THR A 94 -2.334 -7.929 6.607 1.00 0.00 C ATOM 276 C THR A 94 -3.503 -8.495 5.809 1.00 0.00 C ATOM 277 O THR A 94 -4.318 -9.251 6.335 1.00 0.00 O ATOM 278 CB THR A 94 -2.350 -8.494 8.029 1.00 0.00 C ATOM 279 OG1 THR A 94 -3.349 -7.861 8.809 1.00 0.00 O ATOM 280 CG2 THR A 94 -1.031 -8.334 8.752 1.00 0.00 C ATOM 0 H THR A 94 -3.310 -6.091 6.857 1.00 0.00 H new ATOM 0 HA THR A 94 -1.405 -8.224 6.118 1.00 0.00 H new ATOM 0 HB THR A 94 -2.555 -9.558 7.914 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.345 -8.237 9.714 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.112 -8.756 9.754 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.248 -8.856 8.201 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.781 -7.275 8.823 1.00 0.00 H new ATOM 288 N PRO A 95 -3.598 -8.127 4.522 1.00 0.00 N ATOM 289 CA PRO A 95 -4.672 -8.590 3.637 1.00 0.00 C ATOM 290 C PRO A 95 -4.685 -10.107 3.486 1.00 0.00 C ATOM 291 O PRO A 95 -4.460 -10.635 2.396 1.00 0.00 O ATOM 292 CB PRO A 95 -4.355 -7.922 2.296 1.00 0.00 C ATOM 293 CG PRO A 95 -3.473 -6.774 2.641 1.00 0.00 C ATOM 294 CD PRO A 95 -2.670 -7.224 3.828 1.00 0.00 C ATOM 0 HA PRO A 95 -5.656 -8.333 4.030 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.856 -8.614 1.618 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.264 -7.586 1.797 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.824 -6.513 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.060 -5.886 2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.756 -7.736 3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.374 -6.385 4.458 1.00 0.00 H new ATOM 349 N LYS A 100 0.922 -11.867 7.294 1.00 0.00 N ATOM 350 CA LYS A 100 1.743 -11.402 8.407 1.00 0.00 C ATOM 351 C LYS A 100 1.789 -9.880 8.455 1.00 0.00 C ATOM 352 O LYS A 100 1.589 -9.275 9.507 1.00 0.00 O ATOM 353 CB LYS A 100 3.161 -11.964 8.292 1.00 0.00 C ATOM 354 CG LYS A 100 4.010 -11.259 7.247 1.00 0.00 C ATOM 355 CD LYS A 100 5.408 -11.851 7.174 1.00 0.00 C ATOM 356 CE LYS A 100 6.364 -11.142 8.119 1.00 0.00 C ATOM 357 NZ LYS A 100 6.998 -9.954 7.481 1.00 0.00 N ATOM 0 HA LYS A 100 1.291 -11.761 9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.654 -11.887 9.261 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.104 -13.025 8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.529 -11.338 6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.075 -10.197 7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.368 -12.911 7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.783 -11.777 6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.825 -10.829 9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.139 -11.838 8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.643 -9.499 8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.534 -10.255 6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.261 -9.278 7.197 1.00 0.00 H new ATOM 371 N ALA A 101 2.059 -9.266 7.308 1.00 0.00 N ATOM 372 CA ALA A 101 2.135 -7.815 7.220 1.00 0.00 C ATOM 373 C ALA A 101 2.846 -7.376 5.945 1.00 0.00 C ATOM 374 O ALA A 101 4.073 -7.415 5.862 1.00 0.00 O ATOM 375 CB ALA A 101 2.849 -7.261 8.439 1.00 0.00 C ATOM 0 H ALA A 101 2.229 -9.752 6.427 1.00 0.00 H new ATOM 0 HA ALA A 101 1.119 -7.420 7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.903 -6.175 8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.301 -7.538 9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.858 -7.671 8.488 1.00 0.00 H new ATOM 381 N PHE A 102 2.067 -6.953 4.954 1.00 0.00 N ATOM 382 CA PHE A 102 2.625 -6.503 3.684 1.00 0.00 C ATOM 383 C PHE A 102 3.700 -5.447 3.914 1.00 0.00 C ATOM 384 O PHE A 102 4.140 -5.231 5.043 1.00 0.00 O ATOM 385 CB PHE A 102 1.518 -5.939 2.791 1.00 0.00 C ATOM 386 CG PHE A 102 0.963 -6.939 1.818 1.00 0.00 C ATOM 387 CD1 PHE A 102 1.810 -7.709 1.030 1.00 0.00 C ATOM 388 CD2 PHE A 102 -0.410 -7.111 1.690 1.00 0.00 C ATOM 389 CE1 PHE A 102 1.298 -8.632 0.132 1.00 0.00 C ATOM 390 CE2 PHE A 102 -0.928 -8.031 0.794 1.00 0.00 C ATOM 391 CZ PHE A 102 -0.074 -8.793 0.014 1.00 0.00 C ATOM 0 H PHE A 102 1.049 -6.913 5.006 1.00 0.00 H new ATOM 0 HA PHE A 102 3.081 -7.359 3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.709 -5.569 3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.909 -5.085 2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.879 -7.587 1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.081 -6.520 2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.966 -9.225 -0.475 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.997 -8.154 0.703 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.476 -9.511 -0.685 1.00 0.00 H new ATOM 401 N ILE A 103 4.122 -4.789 2.839 1.00 0.00 N ATOM 402 CA ILE A 103 5.145 -3.756 2.932 1.00 0.00 C ATOM 403 C ILE A 103 4.675 -2.599 3.805 1.00 0.00 C ATOM 404 O ILE A 103 3.752 -1.869 3.443 1.00 0.00 O ATOM 405 CB ILE A 103 5.527 -3.212 1.544 1.00 0.00 C ATOM 406 CG1 ILE A 103 5.885 -4.364 0.602 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.685 -2.232 1.664 1.00 0.00 C ATOM 408 CD1 ILE A 103 6.805 -3.960 -0.530 1.00 0.00 C ATOM 0 H ILE A 103 3.771 -4.953 1.895 1.00 0.00 H new ATOM 0 HA ILE A 103 6.022 -4.220 3.384 1.00 0.00 H new ATOM 0 HB ILE A 103 4.671 -2.682 1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.359 -5.159 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.968 -4.778 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.946 -1.854 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.393 -1.400 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.547 -2.739 2.098 1.00 0.00 H new ATOM 0 HD11 ILE A 103 7.015 -4.828 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.325 -3.187 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 103 7.738 -3.574 -0.120 1.00 0.00 H new ATOM 420 N GLU A 104 5.315 -2.439 4.958 1.00 0.00 N ATOM 421 CA GLU A 104 4.962 -1.372 5.887 1.00 0.00 C ATOM 422 C GLU A 104 6.180 -0.523 6.231 1.00 0.00 C ATOM 423 O GLU A 104 7.261 -0.715 5.674 1.00 0.00 O ATOM 424 CB GLU A 104 4.359 -1.960 7.164 1.00 0.00 C ATOM 425 CG GLU A 104 2.888 -1.626 7.349 1.00 0.00 C ATOM 426 CD GLU A 104 2.662 -0.169 7.706 1.00 0.00 C ATOM 427 OE1 GLU A 104 3.293 0.702 7.073 1.00 0.00 O ATOM 428 OE2 GLU A 104 1.854 0.100 8.619 1.00 0.00 O ATOM 0 H GLU A 104 6.081 -3.035 5.272 1.00 0.00 H new ATOM 0 HA GLU A 104 4.223 -0.733 5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.478 -3.043 7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.918 -1.591 8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.348 -1.860 6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.472 -2.258 8.134 1.00 0.00 H new ATOM 435 N VAL A 105 5.998 0.420 7.150 1.00 0.00 N ATOM 436 CA VAL A 105 7.083 1.301 7.567 1.00 0.00 C ATOM 437 C VAL A 105 8.297 0.501 8.025 1.00 0.00 C ATOM 438 O VAL A 105 8.192 -0.361 8.898 1.00 0.00 O ATOM 439 CB VAL A 105 6.641 2.237 8.707 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.576 3.433 8.809 1.00 0.00 C ATOM 441 CG2 VAL A 105 5.204 2.690 8.498 1.00 0.00 C ATOM 0 H VAL A 105 5.110 0.594 7.620 1.00 0.00 H new ATOM 0 HA VAL A 105 7.353 1.901 6.698 1.00 0.00 H new ATOM 0 HB VAL A 105 6.691 1.686 9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.248 4.083 9.620 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.590 3.086 9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.561 3.988 7.871 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.909 3.351 9.313 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.125 3.224 7.551 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.547 1.820 8.480 1.00 0.00 H new ATOM 451 N GLY A 106 9.449 0.793 7.431 1.00 0.00 N ATOM 452 CA GLY A 106 10.668 0.093 7.792 1.00 0.00 C ATOM 453 C GLY A 106 11.008 -1.024 6.826 1.00 0.00 C ATOM 454 O GLY A 106 12.148 -1.137 6.375 1.00 0.00 O ATOM 0 H GLY A 106 9.560 1.502 6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.494 0.803 7.825 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.562 -0.319 8.795 1.00 0.00 H new ATOM 458 N GLN A 107 10.020 -1.856 6.508 1.00 0.00 N ATOM 459 CA GLN A 107 10.226 -2.970 5.590 1.00 0.00 C ATOM 460 C GLN A 107 10.938 -2.501 4.321 1.00 0.00 C ATOM 461 O GLN A 107 10.776 -1.355 3.900 1.00 0.00 O ATOM 462 CB GLN A 107 8.888 -3.617 5.228 1.00 0.00 C ATOM 463 CG GLN A 107 8.994 -4.668 4.135 1.00 0.00 C ATOM 464 CD GLN A 107 7.937 -5.747 4.259 1.00 0.00 C ATOM 465 OE1 GLN A 107 7.525 -6.105 5.362 1.00 0.00 O ATOM 466 NE2 GLN A 107 7.491 -6.272 3.123 1.00 0.00 N ATOM 0 H GLN A 107 9.070 -1.779 6.872 1.00 0.00 H new ATOM 0 HA GLN A 107 10.854 -3.709 6.089 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.463 -4.075 6.121 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.194 -2.840 4.907 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.903 -4.185 3.162 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.982 -5.127 4.172 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.861 -5.945 2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.779 -7.002 3.144 1.00 0.00 H new ATOM 475 N LYS A 108 11.724 -3.388 3.710 1.00 0.00 N ATOM 476 CA LYS A 108 12.451 -3.049 2.491 1.00 0.00 C ATOM 477 C LYS A 108 12.577 -4.263 1.574 1.00 0.00 C ATOM 478 O LYS A 108 13.389 -5.154 1.818 1.00 0.00 O ATOM 479 CB LYS A 108 13.844 -2.512 2.831 1.00 0.00 C ATOM 480 CG LYS A 108 13.845 -1.475 3.943 1.00 0.00 C ATOM 481 CD LYS A 108 14.754 -0.304 3.609 1.00 0.00 C ATOM 482 CE LYS A 108 16.212 -0.636 3.878 1.00 0.00 C ATOM 483 NZ LYS A 108 16.735 0.082 5.072 1.00 0.00 N ATOM 0 H LYS A 108 11.872 -4.342 4.039 1.00 0.00 H new ATOM 0 HA LYS A 108 11.887 -2.276 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 108 14.484 -3.345 3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.283 -2.072 1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.830 -1.114 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 108 14.173 -1.938 4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 108 14.629 -0.033 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.463 0.564 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.318 -1.711 4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 108 16.811 -0.374 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.732 -0.172 5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.658 1.108 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.181 -0.188 5.910 1.00 0.00 H new ATOM 497 N VAL A 109 11.771 -4.288 0.518 1.00 0.00 N ATOM 498 CA VAL A 109 11.800 -5.391 -0.436 1.00 0.00 C ATOM 499 C VAL A 109 12.326 -4.927 -1.791 1.00 0.00 C ATOM 500 O VAL A 109 12.591 -3.741 -1.990 1.00 0.00 O ATOM 501 CB VAL A 109 10.404 -6.027 -0.612 1.00 0.00 C ATOM 502 CG1 VAL A 109 9.549 -5.217 -1.576 1.00 0.00 C ATOM 503 CG2 VAL A 109 10.529 -7.468 -1.084 1.00 0.00 C ATOM 0 H VAL A 109 11.091 -3.559 0.301 1.00 0.00 H new ATOM 0 HA VAL A 109 12.474 -6.146 -0.031 1.00 0.00 H new ATOM 0 HB VAL A 109 9.908 -6.023 0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.572 -5.689 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.424 -4.205 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.038 -5.176 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.535 -7.900 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 109 11.052 -7.494 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.090 -8.045 -0.348 1.00 0.00 H new ATOM 513 N ASN A 110 12.477 -5.865 -2.719 1.00 0.00 N ATOM 514 CA ASN A 110 12.974 -5.548 -4.052 1.00 0.00 C ATOM 515 C ASN A 110 11.825 -5.373 -5.038 1.00 0.00 C ATOM 516 O ASN A 110 10.756 -5.961 -4.871 1.00 0.00 O ATOM 517 CB ASN A 110 13.916 -6.649 -4.540 1.00 0.00 C ATOM 518 CG ASN A 110 15.325 -6.142 -4.780 1.00 0.00 C ATOM 519 OD1 ASN A 110 15.661 -5.014 -4.423 1.00 0.00 O ATOM 520 ND2 ASN A 110 16.158 -6.979 -5.387 1.00 0.00 N ATOM 0 H ASN A 110 12.262 -6.851 -2.572 1.00 0.00 H new ATOM 0 HA ASN A 110 13.521 -4.607 -3.993 1.00 0.00 H new ATOM 0 HB2 ASN A 110 13.943 -7.453 -3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 110 13.524 -7.075 -5.464 1.00 0.00 H new ATOM 0 HD21 ASN A 110 17.120 -6.695 -5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 110 15.836 -7.906 -5.666 1.00 0.00 H new ATOM 527 N VAL A 111 12.054 -4.563 -6.067 1.00 0.00 N ATOM 528 CA VAL A 111 11.038 -4.312 -7.082 1.00 0.00 C ATOM 529 C VAL A 111 10.449 -5.617 -7.603 1.00 0.00 C ATOM 530 O VAL A 111 11.168 -6.596 -7.809 1.00 0.00 O ATOM 531 CB VAL A 111 11.611 -3.513 -8.266 1.00 0.00 C ATOM 532 CG1 VAL A 111 10.491 -2.876 -9.073 1.00 0.00 C ATOM 533 CG2 VAL A 111 12.592 -2.458 -7.778 1.00 0.00 C ATOM 0 H VAL A 111 12.934 -4.070 -6.219 1.00 0.00 H new ATOM 0 HA VAL A 111 10.253 -3.726 -6.605 1.00 0.00 H new ATOM 0 HB VAL A 111 12.150 -4.202 -8.916 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.916 -2.315 -9.906 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.832 -3.654 -9.458 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.921 -2.201 -8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.985 -1.905 -8.631 1.00 0.00 H new ATOM 0 HG22 VAL A 111 12.081 -1.771 -7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 111 13.413 -2.942 -7.249 1.00 0.00 H new ATOM 543 N GLY A 112 9.137 -5.625 -7.816 1.00 0.00 N ATOM 544 CA GLY A 112 8.475 -6.817 -8.312 1.00 0.00 C ATOM 545 C GLY A 112 7.626 -7.492 -7.253 1.00 0.00 C ATOM 546 O GLY A 112 6.547 -8.007 -7.549 1.00 0.00 O ATOM 0 H GLY A 112 8.521 -4.828 -7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.847 -6.553 -9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.224 -7.520 -8.675 1.00 0.00 H new ATOM 550 N ASP A 113 8.112 -7.490 -6.017 1.00 0.00 N ATOM 551 CA ASP A 113 7.389 -8.108 -4.911 1.00 0.00 C ATOM 552 C ASP A 113 6.061 -7.399 -4.664 1.00 0.00 C ATOM 553 O ASP A 113 5.871 -6.255 -5.078 1.00 0.00 O ATOM 554 CB ASP A 113 8.239 -8.081 -3.641 1.00 0.00 C ATOM 555 CG ASP A 113 8.667 -9.468 -3.203 1.00 0.00 C ATOM 556 OD1 ASP A 113 7.845 -10.402 -3.304 1.00 0.00 O ATOM 557 OD2 ASP A 113 9.825 -9.619 -2.759 1.00 0.00 O ATOM 0 H ASP A 113 9.003 -7.068 -5.755 1.00 0.00 H new ATOM 0 HA ASP A 113 7.182 -9.144 -5.179 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.124 -7.468 -3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.673 -7.608 -2.838 1.00 0.00 H new ATOM 562 N THR A 114 5.146 -8.084 -3.987 1.00 0.00 N ATOM 563 CA THR A 114 3.836 -7.518 -3.685 1.00 0.00 C ATOM 564 C THR A 114 3.973 -6.230 -2.880 1.00 0.00 C ATOM 565 O THR A 114 5.063 -5.884 -2.425 1.00 0.00 O ATOM 566 CB THR A 114 2.985 -8.529 -2.914 1.00 0.00 C ATOM 567 OG1 THR A 114 3.515 -9.835 -3.049 1.00 0.00 O ATOM 568 CG2 THR A 114 1.543 -8.568 -3.370 1.00 0.00 C ATOM 0 H THR A 114 5.287 -9.032 -3.637 1.00 0.00 H new ATOM 0 HA THR A 114 3.342 -7.284 -4.628 1.00 0.00 H new ATOM 0 HB THR A 114 3.011 -8.198 -1.876 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.959 -10.467 -2.548 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.995 -9.305 -2.783 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.091 -7.586 -3.232 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.502 -8.841 -4.424 1.00 0.00 H new ATOM 576 N LEU A 115 2.861 -5.524 -2.708 1.00 0.00 N ATOM 577 CA LEU A 115 2.859 -4.273 -1.957 1.00 0.00 C ATOM 578 C LEU A 115 1.765 -4.276 -0.894 1.00 0.00 C ATOM 579 O LEU A 115 2.048 -4.186 0.301 1.00 0.00 O ATOM 580 CB LEU A 115 2.663 -3.086 -2.903 1.00 0.00 C ATOM 581 CG LEU A 115 2.843 -1.710 -2.259 1.00 0.00 C ATOM 582 CD1 LEU A 115 4.194 -1.120 -2.631 1.00 0.00 C ATOM 583 CD2 LEU A 115 1.718 -0.776 -2.677 1.00 0.00 C ATOM 0 H LEU A 115 1.950 -5.796 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 115 3.824 -4.177 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.368 -3.179 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.662 -3.143 -3.330 1.00 0.00 H new ATOM 0 HG LEU A 115 2.807 -1.828 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.305 -0.141 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.988 -1.780 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.259 -1.015 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.862 0.198 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.723 -0.663 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.762 -1.193 -2.360 1.00 0.00 H new ATOM 595 N CYS A 116 0.516 -4.382 -1.336 1.00 0.00 N ATOM 596 CA CYS A 116 -0.618 -4.396 -0.418 1.00 0.00 C ATOM 597 C CYS A 116 -1.938 -4.482 -1.178 1.00 0.00 C ATOM 598 O CYS A 116 -2.013 -4.128 -2.354 1.00 0.00 O ATOM 599 CB CYS A 116 -0.603 -3.145 0.461 1.00 0.00 C ATOM 600 SG CYS A 116 -0.126 -3.456 2.176 1.00 0.00 S ATOM 0 H CYS A 116 0.264 -4.459 -2.321 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.528 -5.279 0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 116 0.086 -2.419 0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -1.594 -2.692 0.447 1.00 0.00 H new ATOM 0 HG CYS A 116 -1.142 -3.234 2.956 1.00 0.00 H new ATOM 606 N ILE A 117 -2.977 -4.954 -0.496 1.00 0.00 N ATOM 607 CA ILE A 117 -4.297 -5.087 -1.103 1.00 0.00 C ATOM 608 C ILE A 117 -5.210 -3.937 -0.685 1.00 0.00 C ATOM 609 O ILE A 117 -5.274 -3.575 0.490 1.00 0.00 O ATOM 610 CB ILE A 117 -4.958 -6.434 -0.720 1.00 0.00 C ATOM 611 CG1 ILE A 117 -4.360 -7.575 -1.543 1.00 0.00 C ATOM 612 CG2 ILE A 117 -6.466 -6.381 -0.922 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.226 -8.871 -0.771 1.00 0.00 C ATOM 0 H ILE A 117 -2.930 -5.251 0.479 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.158 -5.058 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 117 -4.760 -6.616 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -4.985 -7.746 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.377 -7.274 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.904 -7.340 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -6.889 -5.595 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.686 -6.170 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -3.795 -9.636 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -3.577 -8.716 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.209 -9.195 -0.431 1.00 0.00 H new ATOM 625 N VAL A 118 -5.922 -3.376 -1.656 1.00 0.00 N ATOM 626 CA VAL A 118 -6.841 -2.276 -1.395 1.00 0.00 C ATOM 627 C VAL A 118 -8.204 -2.807 -0.971 1.00 0.00 C ATOM 628 O VAL A 118 -9.015 -2.084 -0.394 1.00 0.00 O ATOM 629 CB VAL A 118 -7.013 -1.379 -2.635 1.00 0.00 C ATOM 630 CG1 VAL A 118 -7.655 -0.055 -2.254 1.00 0.00 C ATOM 631 CG2 VAL A 118 -5.674 -1.155 -3.321 1.00 0.00 C ATOM 0 H VAL A 118 -5.880 -3.666 -2.633 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.412 -1.681 -0.589 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.675 -1.885 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.768 0.564 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.635 -0.239 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.023 0.461 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.815 -0.519 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -4.986 -0.671 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.260 -2.114 -3.633 1.00 0.00 H new ATOM 641 N GLU A 119 -8.445 -4.081 -1.265 1.00 0.00 N ATOM 642 CA GLU A 119 -9.705 -4.726 -0.920 1.00 0.00 C ATOM 643 C GLU A 119 -10.886 -3.802 -1.198 1.00 0.00 C ATOM 644 O GLU A 119 -11.709 -3.549 -0.318 1.00 0.00 O ATOM 645 CB GLU A 119 -9.705 -5.142 0.553 1.00 0.00 C ATOM 646 CG GLU A 119 -10.654 -6.289 0.860 1.00 0.00 C ATOM 647 CD GLU A 119 -12.044 -6.061 0.299 1.00 0.00 C ATOM 648 OE1 GLU A 119 -12.218 -6.193 -0.931 1.00 0.00 O ATOM 649 OE2 GLU A 119 -12.960 -5.749 1.090 1.00 0.00 O ATOM 0 H GLU A 119 -7.780 -4.689 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.809 -5.615 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.694 -5.431 0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -9.977 -4.282 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -10.247 -7.213 0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -10.719 -6.423 1.940 1.00 0.00 H new ATOM 656 N ALA A 120 -10.965 -3.306 -2.427 1.00 0.00 N ATOM 657 CA ALA A 120 -12.048 -2.414 -2.822 1.00 0.00 C ATOM 658 C ALA A 120 -13.244 -3.205 -3.337 1.00 0.00 C ATOM 659 O ALA A 120 -13.186 -3.806 -4.410 1.00 0.00 O ATOM 660 CB ALA A 120 -11.565 -1.433 -3.879 1.00 0.00 C ATOM 0 H ALA A 120 -10.292 -3.506 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.366 -1.853 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -12.384 -0.773 -4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.744 -0.839 -3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.220 -1.983 -4.755 1.00 0.00 H new ATOM 666 N MET A 121 -14.325 -3.206 -2.564 1.00 0.00 N ATOM 667 CA MET A 121 -15.535 -3.926 -2.942 1.00 0.00 C ATOM 668 C MET A 121 -15.204 -5.350 -3.364 1.00 0.00 C ATOM 669 O MET A 121 -15.742 -5.861 -4.345 1.00 0.00 O ATOM 670 CB MET A 121 -16.258 -3.197 -4.076 1.00 0.00 C ATOM 671 CG MET A 121 -15.463 -3.140 -5.370 1.00 0.00 C ATOM 672 SD MET A 121 -16.472 -2.664 -6.786 1.00 0.00 S ATOM 673 CE MET A 121 -15.419 -1.438 -7.556 1.00 0.00 C ATOM 0 H MET A 121 -14.388 -2.716 -1.672 1.00 0.00 H new ATOM 0 HA MET A 121 -16.192 -3.966 -2.074 1.00 0.00 H new ATOM 0 HB2 MET A 121 -17.210 -3.693 -4.266 1.00 0.00 H new ATOM 0 HB3 MET A 121 -16.487 -2.181 -3.755 1.00 0.00 H new ATOM 0 HG2 MET A 121 -14.644 -2.430 -5.257 1.00 0.00 H new ATOM 0 HG3 MET A 121 -15.015 -4.115 -5.560 1.00 0.00 H new ATOM 0 HE1 MET A 121 -15.907 -1.048 -8.449 1.00 0.00 H new ATOM 0 HE2 MET A 121 -15.238 -0.622 -6.856 1.00 0.00 H new ATOM 0 HE3 MET A 121 -14.469 -1.896 -7.832 1.00 0.00 H new ATOM 683 N LYS A 122 -14.311 -5.986 -2.614 1.00 0.00 N ATOM 684 CA LYS A 122 -13.901 -7.353 -2.907 1.00 0.00 C ATOM 685 C LYS A 122 -13.281 -7.447 -4.296 1.00 0.00 C ATOM 686 O LYS A 122 -13.827 -8.095 -5.189 1.00 0.00 O ATOM 687 CB LYS A 122 -15.098 -8.300 -2.804 1.00 0.00 C ATOM 688 CG LYS A 122 -15.226 -8.976 -1.448 1.00 0.00 C ATOM 689 CD LYS A 122 -14.083 -9.945 -1.198 1.00 0.00 C ATOM 690 CE LYS A 122 -13.257 -9.535 0.011 1.00 0.00 C ATOM 691 NZ LYS A 122 -14.086 -8.968 1.071 1.00 0.00 N ATOM 0 H LYS A 122 -13.857 -5.576 -1.798 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.151 -7.647 -2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -16.011 -7.741 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.012 -9.065 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.241 -8.220 -0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -16.175 -9.510 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.482 -10.948 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.443 -9.989 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -12.720 -10.403 0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -12.507 -8.805 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -13.643 -9.151 1.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -14.178 -7.942 0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -15.029 -9.406 1.046 1.00 0.00 H new ATOM 702 N MET A 123 -12.140 -6.791 -4.474 1.00 0.00 N ATOM 703 CA MET A 123 -11.448 -6.798 -5.756 1.00 0.00 C ATOM 704 C MET A 123 -10.041 -7.377 -5.620 1.00 0.00 C ATOM 705 O MET A 123 -9.438 -7.799 -6.607 1.00 0.00 O ATOM 706 CB MET A 123 -11.381 -5.378 -6.327 1.00 0.00 C ATOM 707 CG MET A 123 -10.256 -5.170 -7.329 1.00 0.00 C ATOM 708 SD MET A 123 -10.227 -3.498 -8.005 1.00 0.00 S ATOM 709 CE MET A 123 -9.994 -2.531 -6.515 1.00 0.00 C ATOM 0 H MET A 123 -11.675 -6.248 -3.746 1.00 0.00 H new ATOM 0 HA MET A 123 -12.010 -7.433 -6.441 1.00 0.00 H new ATOM 0 HB2 MET A 123 -12.331 -5.145 -6.808 1.00 0.00 H new ATOM 0 HB3 MET A 123 -11.258 -4.672 -5.506 1.00 0.00 H new ATOM 0 HG2 MET A 123 -9.301 -5.379 -6.846 1.00 0.00 H new ATOM 0 HG3 MET A 123 -10.364 -5.885 -8.144 1.00 0.00 H new ATOM 0 HE1 MET A 123 -10.850 -1.872 -6.371 1.00 0.00 H new ATOM 0 HE2 MET A 123 -9.902 -3.199 -5.659 1.00 0.00 H new ATOM 0 HE3 MET A 123 -9.088 -1.933 -6.608 1.00 0.00 H new ATOM 719 N MET A 124 -9.522 -7.392 -4.395 1.00 0.00 N ATOM 720 CA MET A 124 -8.187 -7.918 -4.141 1.00 0.00 C ATOM 721 C MET A 124 -7.147 -7.160 -4.956 1.00 0.00 C ATOM 722 O MET A 124 -6.191 -7.746 -5.465 1.00 0.00 O ATOM 723 CB MET A 124 -8.131 -9.410 -4.478 1.00 0.00 C ATOM 724 CG MET A 124 -9.429 -10.146 -4.190 1.00 0.00 C ATOM 725 SD MET A 124 -9.544 -10.709 -2.481 1.00 0.00 S ATOM 726 CE MET A 124 -10.960 -9.773 -1.909 1.00 0.00 C ATOM 0 H MET A 124 -10.005 -7.047 -3.566 1.00 0.00 H new ATOM 0 HA MET A 124 -7.963 -7.786 -3.083 1.00 0.00 H new ATOM 0 HB2 MET A 124 -7.883 -9.527 -5.533 1.00 0.00 H new ATOM 0 HB3 MET A 124 -7.326 -9.873 -3.908 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.271 -9.489 -4.409 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.511 -11.004 -4.857 1.00 0.00 H new ATOM 0 HE1 MET A 124 -11.541 -10.380 -1.214 1.00 0.00 H new ATOM 0 HE2 MET A 124 -10.619 -8.869 -1.404 1.00 0.00 H new ATOM 0 HE3 MET A 124 -11.584 -9.500 -2.760 1.00 0.00 H new ATOM 736 N ASN A 125 -7.343 -5.851 -5.076 1.00 0.00 N ATOM 737 CA ASN A 125 -6.425 -5.006 -5.830 1.00 0.00 C ATOM 738 C ASN A 125 -5.080 -4.903 -5.119 1.00 0.00 C ATOM 739 O ASN A 125 -4.743 -3.862 -4.554 1.00 0.00 O ATOM 740 CB ASN A 125 -7.024 -3.614 -6.024 1.00 0.00 C ATOM 741 CG ASN A 125 -6.069 -2.666 -6.724 1.00 0.00 C ATOM 742 OD1 ASN A 125 -5.032 -3.081 -7.241 1.00 0.00 O ATOM 743 ND2 ASN A 125 -6.416 -1.385 -6.744 1.00 0.00 N ATOM 0 H ASN A 125 -8.130 -5.352 -4.660 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.266 -5.461 -6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -7.943 -3.695 -6.605 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -7.296 -3.200 -5.053 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -5.813 -0.700 -7.201 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -7.285 -1.085 -6.303 1.00 0.00 H new ATOM 750 N GLN A 126 -4.319 -5.990 -5.149 1.00 0.00 N ATOM 751 CA GLN A 126 -3.012 -6.027 -4.506 1.00 0.00 C ATOM 752 C GLN A 126 -1.937 -5.434 -5.411 1.00 0.00 C ATOM 753 O GLN A 126 -1.718 -5.907 -6.525 1.00 0.00 O ATOM 754 CB GLN A 126 -2.650 -7.466 -4.135 1.00 0.00 C ATOM 755 CG GLN A 126 -2.196 -8.303 -5.318 1.00 0.00 C ATOM 756 CD GLN A 126 -2.046 -9.771 -4.971 1.00 0.00 C ATOM 757 OE1 GLN A 126 -1.366 -10.127 -4.008 1.00 0.00 O ATOM 758 NE2 GLN A 126 -2.681 -10.633 -5.757 1.00 0.00 N ATOM 0 H GLN A 126 -4.585 -6.859 -5.613 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.063 -5.424 -3.599 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.858 -7.451 -3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.515 -7.942 -3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -2.915 -8.197 -6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.243 -7.921 -5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -3.234 -10.294 -6.544 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -2.616 -11.634 -5.573 1.00 0.00 H new ATOM 767 N ILE A 127 -1.270 -4.393 -4.921 1.00 0.00 N ATOM 768 CA ILE A 127 -0.217 -3.732 -5.682 1.00 0.00 C ATOM 769 C ILE A 127 1.128 -4.412 -5.458 1.00 0.00 C ATOM 770 O ILE A 127 1.287 -5.204 -4.530 1.00 0.00 O ATOM 771 CB ILE A 127 -0.096 -2.246 -5.298 1.00 0.00 C ATOM 772 CG1 ILE A 127 -1.484 -1.632 -5.107 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.684 -1.486 -6.359 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.297 -1.570 -6.382 1.00 0.00 C ATOM 0 H ILE A 127 -1.441 -3.990 -4.000 1.00 0.00 H new ATOM 0 HA ILE A 127 -0.491 -3.807 -6.734 1.00 0.00 H new ATOM 0 HB ILE A 127 0.446 -2.173 -4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.031 -2.213 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.375 -0.624 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.761 -0.437 -6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.683 -1.911 -6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.168 -1.564 -7.316 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.269 -1.124 -6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.771 -0.964 -7.120 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.437 -2.578 -6.773 1.00 0.00 H new ATOM 786 N GLU A 128 2.095 -4.097 -6.315 1.00 0.00 N ATOM 787 CA GLU A 128 3.428 -4.679 -6.211 1.00 0.00 C ATOM 788 C GLU A 128 4.505 -3.610 -6.368 1.00 0.00 C ATOM 789 O GLU A 128 4.523 -2.874 -7.355 1.00 0.00 O ATOM 790 CB GLU A 128 3.615 -5.768 -7.270 1.00 0.00 C ATOM 791 CG GLU A 128 2.528 -6.829 -7.251 1.00 0.00 C ATOM 792 CD GLU A 128 1.558 -6.690 -8.409 1.00 0.00 C ATOM 793 OE1 GLU A 128 0.635 -5.854 -8.312 1.00 0.00 O ATOM 794 OE2 GLU A 128 1.724 -7.414 -9.412 1.00 0.00 O ATOM 0 H GLU A 128 1.980 -3.442 -7.089 1.00 0.00 H new ATOM 0 HA GLU A 128 3.526 -5.123 -5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.640 -5.304 -8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.582 -6.248 -7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.988 -7.816 -7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.979 -6.765 -6.312 1.00 0.00 H new ATOM 801 N ALA A 129 5.401 -3.530 -5.390 1.00 0.00 N ATOM 802 CA ALA A 129 6.482 -2.552 -5.419 1.00 0.00 C ATOM 803 C ALA A 129 7.073 -2.428 -6.819 1.00 0.00 C ATOM 804 O ALA A 129 7.633 -3.386 -7.354 1.00 0.00 O ATOM 805 CB ALA A 129 7.563 -2.930 -4.418 1.00 0.00 C ATOM 0 H ALA A 129 5.400 -4.132 -4.566 1.00 0.00 H new ATOM 0 HA ALA A 129 6.069 -1.582 -5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 129 8.364 -2.191 -4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 129 7.136 -2.959 -3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.965 -3.912 -4.670 1.00 0.00 H new ATOM 811 N ASP A 130 6.949 -1.243 -7.407 1.00 0.00 N ATOM 812 CA ASP A 130 7.473 -0.993 -8.745 1.00 0.00 C ATOM 813 C ASP A 130 8.750 -0.161 -8.682 1.00 0.00 C ATOM 814 O ASP A 130 9.478 -0.046 -9.668 1.00 0.00 O ATOM 815 CB ASP A 130 6.427 -0.279 -9.601 1.00 0.00 C ATOM 816 CG ASP A 130 5.571 0.676 -8.792 1.00 0.00 C ATOM 817 OD1 ASP A 130 6.135 1.425 -7.967 1.00 0.00 O ATOM 818 OD2 ASP A 130 4.337 0.676 -8.986 1.00 0.00 O ATOM 0 H ASP A 130 6.490 -0.440 -6.978 1.00 0.00 H new ATOM 0 HA ASP A 130 7.709 -1.955 -9.201 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.928 0.272 -10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 130 5.787 -1.020 -10.080 1.00 0.00 H new ATOM 823 N LYS A 131 9.016 0.416 -7.516 1.00 0.00 N ATOM 824 CA LYS A 131 10.206 1.237 -7.322 1.00 0.00 C ATOM 825 C LYS A 131 10.761 1.065 -5.912 1.00 0.00 C ATOM 826 O LYS A 131 10.692 1.980 -5.091 1.00 0.00 O ATOM 827 CB LYS A 131 9.883 2.711 -7.581 1.00 0.00 C ATOM 828 CG LYS A 131 9.463 3.000 -9.013 1.00 0.00 C ATOM 829 CD LYS A 131 9.358 4.493 -9.273 1.00 0.00 C ATOM 830 CE LYS A 131 8.402 4.794 -10.415 1.00 0.00 C ATOM 831 NZ LYS A 131 8.830 4.144 -11.684 1.00 0.00 N ATOM 0 H LYS A 131 8.424 0.331 -6.690 1.00 0.00 H new ATOM 0 HA LYS A 131 10.964 0.909 -8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 131 9.085 3.023 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 131 10.758 3.314 -7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 131 10.185 2.560 -9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 131 8.502 2.526 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 131 9.017 4.998 -8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 131 10.344 4.893 -9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 131 7.402 4.451 -10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 131 8.341 5.872 -10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 8.200 4.442 -12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 9.807 4.425 -11.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.783 3.111 -11.578 1.00 0.00 H new ATOM 845 N SER A 132 11.310 -0.114 -5.638 1.00 0.00 N ATOM 846 CA SER A 132 11.877 -0.407 -4.326 1.00 0.00 C ATOM 847 C SER A 132 10.775 -0.680 -3.308 1.00 0.00 C ATOM 848 O SER A 132 9.609 -0.360 -3.540 1.00 0.00 O ATOM 849 CB SER A 132 12.752 0.754 -3.853 1.00 0.00 C ATOM 850 OG SER A 132 12.231 1.340 -2.672 1.00 0.00 O ATOM 0 H SER A 132 11.374 -0.882 -6.306 1.00 0.00 H new ATOM 0 HA SER A 132 12.494 -1.301 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 132 13.765 0.398 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 132 12.817 1.507 -4.638 1.00 0.00 H new ATOM 0 HG SER A 132 12.810 2.079 -2.390 1.00 0.00 H new ATOM 856 N GLY A 133 11.152 -1.272 -2.181 1.00 0.00 N ATOM 857 CA GLY A 133 10.185 -1.576 -1.143 1.00 0.00 C ATOM 858 C GLY A 133 10.529 -0.928 0.182 1.00 0.00 C ATOM 859 O GLY A 133 10.131 -1.415 1.240 1.00 0.00 O ATOM 0 H GLY A 133 12.111 -1.547 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 133 9.198 -1.241 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 133 10.127 -2.656 -1.011 1.00 0.00 H new ATOM 863 N THR A 134 11.272 0.172 0.124 1.00 0.00 N ATOM 864 CA THR A 134 11.673 0.889 1.329 1.00 0.00 C ATOM 865 C THR A 134 10.601 1.890 1.748 1.00 0.00 C ATOM 866 O THR A 134 10.696 3.078 1.446 1.00 0.00 O ATOM 867 CB THR A 134 13.000 1.613 1.098 1.00 0.00 C ATOM 868 OG1 THR A 134 14.002 0.703 0.683 1.00 0.00 O ATOM 869 CG2 THR A 134 13.512 2.330 2.330 1.00 0.00 C ATOM 0 H THR A 134 11.609 0.587 -0.745 1.00 0.00 H new ATOM 0 HA THR A 134 11.798 0.161 2.131 1.00 0.00 H new ATOM 0 HB THR A 134 12.795 2.353 0.325 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.886 1.094 0.843 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.456 2.823 2.098 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.782 3.075 2.647 1.00 0.00 H new ATOM 0 HG23 THR A 134 13.667 1.609 3.133 1.00 0.00 H new ATOM 877 N VAL A 135 9.582 1.400 2.448 1.00 0.00 N ATOM 878 CA VAL A 135 8.494 2.254 2.909 1.00 0.00 C ATOM 879 C VAL A 135 8.970 3.202 4.003 1.00 0.00 C ATOM 880 O VAL A 135 9.715 2.807 4.899 1.00 0.00 O ATOM 881 CB VAL A 135 7.312 1.424 3.444 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.296 2.325 4.129 1.00 0.00 C ATOM 883 CG2 VAL A 135 6.662 0.633 2.320 1.00 0.00 C ATOM 0 H VAL A 135 9.488 0.418 2.708 1.00 0.00 H new ATOM 0 HA VAL A 135 8.159 2.832 2.048 1.00 0.00 H new ATOM 0 HB VAL A 135 7.692 0.716 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.468 1.722 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.772 2.842 4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 135 5.920 3.058 3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 135 5.829 0.053 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 135 6.295 1.319 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.396 -0.041 1.878 1.00 0.00 H new ATOM 893 N LYS A 136 8.534 4.455 3.924 1.00 0.00 N ATOM 894 CA LYS A 136 8.917 5.459 4.909 1.00 0.00 C ATOM 895 C LYS A 136 7.833 5.622 5.969 1.00 0.00 C ATOM 896 O LYS A 136 8.127 5.898 7.132 1.00 0.00 O ATOM 897 CB LYS A 136 9.185 6.801 4.223 1.00 0.00 C ATOM 898 CG LYS A 136 10.589 7.333 4.456 1.00 0.00 C ATOM 899 CD LYS A 136 10.832 7.639 5.924 1.00 0.00 C ATOM 900 CE LYS A 136 12.238 7.248 6.348 1.00 0.00 C ATOM 901 NZ LYS A 136 12.973 8.393 6.954 1.00 0.00 N ATOM 0 H LYS A 136 7.916 4.799 3.189 1.00 0.00 H new ATOM 0 HA LYS A 136 9.830 5.122 5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.020 6.691 3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.463 7.534 4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.319 6.601 4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.740 8.237 3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 136 10.679 8.703 6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 136 10.105 7.103 6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 136 12.186 6.429 7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 136 12.789 6.880 5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 13.928 8.086 7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 13.045 9.165 6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 12.461 8.728 7.795 1.00 0.00 H new ATOM 915 N ALA A 137 6.580 5.450 5.560 1.00 0.00 N ATOM 916 CA ALA A 137 5.455 5.579 6.479 1.00 0.00 C ATOM 917 C ALA A 137 4.123 5.515 5.738 1.00 0.00 C ATOM 918 O ALA A 137 4.059 5.756 4.533 1.00 0.00 O ATOM 919 CB ALA A 137 5.563 6.877 7.264 1.00 0.00 C ATOM 0 H ALA A 137 6.319 5.222 4.601 1.00 0.00 H new ATOM 0 HA ALA A 137 5.491 4.740 7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.717 6.961 7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.492 6.881 7.835 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.558 7.721 6.574 1.00 0.00 H new ATOM 925 N ILE A 138 3.061 5.188 6.469 1.00 0.00 N ATOM 926 CA ILE A 138 1.729 5.093 5.885 1.00 0.00 C ATOM 927 C ILE A 138 0.807 6.176 6.437 1.00 0.00 C ATOM 928 O ILE A 138 0.845 6.487 7.627 1.00 0.00 O ATOM 929 CB ILE A 138 1.096 3.714 6.153 1.00 0.00 C ATOM 930 CG1 ILE A 138 1.858 2.621 5.402 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.371 3.717 5.750 1.00 0.00 C ATOM 932 CD1 ILE A 138 1.083 1.328 5.265 1.00 0.00 C ATOM 0 H ILE A 138 3.098 4.984 7.468 1.00 0.00 H new ATOM 0 HA ILE A 138 1.845 5.231 4.810 1.00 0.00 H new ATOM 0 HB ILE A 138 1.159 3.505 7.221 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.117 2.987 4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.795 2.420 5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.804 2.736 5.945 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.905 4.471 6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.456 3.946 4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.685 0.599 4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.847 0.939 6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.158 1.514 4.719 1.00 0.00 H new ATOM 944 N LEU A 139 -0.018 6.746 5.567 1.00 0.00 N ATOM 945 CA LEU A 139 -0.949 7.795 5.972 1.00 0.00 C ATOM 946 C LEU A 139 -2.378 7.264 6.027 1.00 0.00 C ATOM 947 O LEU A 139 -3.138 7.593 6.938 1.00 0.00 O ATOM 948 CB LEU A 139 -0.870 8.977 5.004 1.00 0.00 C ATOM 949 CG LEU A 139 0.474 9.707 4.981 1.00 0.00 C ATOM 950 CD1 LEU A 139 1.533 8.851 4.304 1.00 0.00 C ATOM 951 CD2 LEU A 139 0.339 11.048 4.275 1.00 0.00 C ATOM 0 H LEU A 139 -0.062 6.501 4.578 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.667 8.131 6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -1.088 8.618 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.650 9.692 5.264 1.00 0.00 H new ATOM 0 HG LEU A 139 0.786 9.890 6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.483 9.386 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.648 7.915 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.228 8.638 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 139 1.304 11.554 4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.006 10.887 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.390 11.664 4.801 1.00 0.00 H new ATOM 963 N VAL A 140 -2.737 6.443 5.046 1.00 0.00 N ATOM 964 CA VAL A 140 -4.074 5.868 4.982 1.00 0.00 C ATOM 965 C VAL A 140 -4.461 5.223 6.309 1.00 0.00 C ATOM 966 O VAL A 140 -5.462 5.593 6.922 1.00 0.00 O ATOM 967 CB VAL A 140 -4.181 4.816 3.865 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.508 4.078 3.951 1.00 0.00 C ATOM 969 CG2 VAL A 140 -4.013 5.467 2.499 1.00 0.00 C ATOM 0 H VAL A 140 -2.120 6.161 4.284 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.759 6.688 4.766 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.379 4.090 3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.565 3.338 3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.584 3.577 4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.327 4.789 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -4.092 4.707 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.792 6.216 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.035 5.945 2.441 1.00 0.00 H new ATOM 979 N GLU A 141 -3.662 4.255 6.746 1.00 0.00 N ATOM 980 CA GLU A 141 -3.921 3.555 8.001 1.00 0.00 C ATOM 981 C GLU A 141 -4.887 2.395 7.786 1.00 0.00 C ATOM 982 O GLU A 141 -6.104 2.581 7.762 1.00 0.00 O ATOM 983 CB GLU A 141 -4.488 4.521 9.043 1.00 0.00 C ATOM 984 CG GLU A 141 -3.870 5.909 8.988 1.00 0.00 C ATOM 985 CD GLU A 141 -3.378 6.382 10.342 1.00 0.00 C ATOM 986 OE1 GLU A 141 -4.216 6.816 11.160 1.00 0.00 O ATOM 987 OE2 GLU A 141 -2.154 6.320 10.584 1.00 0.00 O ATOM 0 H GLU A 141 -2.829 3.937 6.250 1.00 0.00 H new ATOM 0 HA GLU A 141 -2.975 3.155 8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -5.565 4.606 8.899 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -4.332 4.102 10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -3.038 5.904 8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -4.607 6.616 8.606 1.00 0.00 H new ATOM 994 N SER A 142 -4.336 1.196 7.629 1.00 0.00 N ATOM 995 CA SER A 142 -5.148 0.004 7.415 1.00 0.00 C ATOM 996 C SER A 142 -6.394 0.032 8.295 1.00 0.00 C ATOM 997 O SER A 142 -6.463 0.788 9.265 1.00 0.00 O ATOM 998 CB SER A 142 -4.331 -1.256 7.707 1.00 0.00 C ATOM 999 OG SER A 142 -5.174 -2.338 8.064 1.00 0.00 O ATOM 0 H SER A 142 -3.331 1.024 7.646 1.00 0.00 H new ATOM 0 HA SER A 142 -5.461 -0.010 6.371 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.743 -1.523 6.829 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.627 -1.058 8.515 1.00 0.00 H new ATOM 0 HG SER A 142 -4.629 -3.081 8.397 1.00 0.00 H new ATOM 1005 N GLY A 143 -7.378 -0.797 7.954 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.605 -0.848 8.727 1.00 0.00 C ATOM 1007 C GLY A 143 -9.501 0.351 8.479 1.00 0.00 C ATOM 1008 O GLY A 143 -10.604 0.431 9.019 1.00 0.00 O ATOM 0 H GLY A 143 -7.346 -1.433 7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -9.148 -1.760 8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.360 -0.901 9.788 1.00 0.00 H new ATOM 1012 N GLN A 144 -9.027 1.287 7.662 1.00 0.00 N ATOM 1013 CA GLN A 144 -9.795 2.486 7.346 1.00 0.00 C ATOM 1014 C GLN A 144 -10.132 2.538 5.859 1.00 0.00 C ATOM 1015 O GLN A 144 -9.387 2.028 5.023 1.00 0.00 O ATOM 1016 CB GLN A 144 -9.016 3.739 7.749 1.00 0.00 C ATOM 1017 CG GLN A 144 -9.640 4.496 8.912 1.00 0.00 C ATOM 1018 CD GLN A 144 -9.245 5.960 8.934 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -9.986 6.807 9.432 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -8.072 6.265 8.391 1.00 0.00 N ATOM 0 H GLN A 144 -8.115 1.238 7.207 1.00 0.00 H new ATOM 0 HA GLN A 144 -10.726 2.450 7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -7.998 3.454 8.016 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -8.945 4.405 6.889 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -10.725 4.417 8.851 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -9.338 4.028 9.849 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -7.490 5.530 7.989 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -7.754 7.234 8.376 1.00 0.00 H new ATOM 1029 N PRO A 145 -11.267 3.162 5.515 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.712 3.288 4.122 1.00 0.00 C ATOM 1031 C PRO A 145 -10.798 4.190 3.303 1.00 0.00 C ATOM 1032 O PRO A 145 -10.477 5.305 3.714 1.00 0.00 O ATOM 1033 CB PRO A 145 -13.105 3.911 4.247 1.00 0.00 C ATOM 1034 CG PRO A 145 -13.093 4.614 5.560 1.00 0.00 C ATOM 1035 CD PRO A 145 -12.205 3.797 6.456 1.00 0.00 C ATOM 0 HA PRO A 145 -11.705 2.329 3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.303 4.604 3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -13.883 3.149 4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -12.714 5.630 5.455 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -14.099 4.690 5.972 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -11.685 4.420 7.184 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -12.773 3.057 7.019 1.00 0.00 H new ATOM 1043 N VAL A 146 -10.381 3.701 2.139 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.503 4.465 1.261 1.00 0.00 C ATOM 1045 C VAL A 146 -10.295 5.473 0.436 1.00 0.00 C ATOM 1046 O VAL A 146 -11.482 5.278 0.173 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.717 3.544 0.310 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.728 4.348 -0.520 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -8.003 2.452 1.093 1.00 0.00 C ATOM 0 H VAL A 146 -10.637 2.780 1.783 1.00 0.00 H new ATOM 0 HA VAL A 146 -8.799 4.996 1.902 1.00 0.00 H new ATOM 0 HB VAL A 146 -9.424 3.069 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -7.183 3.679 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -8.267 5.088 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -7.025 4.854 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -7.453 1.811 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -7.308 2.906 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -8.736 1.856 1.637 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.631 6.550 0.031 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.274 7.590 -0.763 1.00 0.00 C ATOM 1061 C GLU A 147 -9.416 7.963 -1.968 1.00 0.00 C ATOM 1062 O GLU A 147 -8.198 8.101 -1.856 1.00 0.00 O ATOM 1063 CB GLU A 147 -10.538 8.828 0.095 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.725 8.677 1.032 1.00 0.00 C ATOM 1065 CD GLU A 147 -13.053 8.853 0.322 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -13.052 9.348 -0.825 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -14.093 8.496 0.913 1.00 0.00 O ATOM 0 H GLU A 147 -8.648 6.725 0.239 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.225 7.200 -1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -9.647 9.049 0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -10.708 9.683 -0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -11.693 7.692 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -11.646 9.411 1.834 1.00 0.00 H new ATOM 1074 N PHE A 148 -10.060 8.124 -3.119 1.00 0.00 N ATOM 1075 CA PHE A 148 -9.356 8.481 -4.345 1.00 0.00 C ATOM 1076 C PHE A 148 -8.204 9.439 -4.054 1.00 0.00 C ATOM 1077 O PHE A 148 -8.420 10.571 -3.622 1.00 0.00 O ATOM 1078 CB PHE A 148 -10.323 9.111 -5.348 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.646 9.938 -6.403 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -8.503 9.471 -7.042 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -10.151 11.184 -6.759 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -7.875 10.231 -8.017 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -9.527 11.948 -7.733 1.00 0.00 C ATOM 1084 CZ PHE A 148 -8.388 11.472 -8.362 1.00 0.00 C ATOM 0 H PHE A 148 -11.068 8.013 -3.228 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.942 7.569 -4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.897 8.320 -5.832 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -11.034 9.737 -4.809 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -8.100 8.505 -6.776 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -11.038 11.560 -6.272 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -6.988 9.857 -8.507 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -9.929 12.914 -8.001 1.00 0.00 H new ATOM 0 HZ PHE A 148 -7.900 12.067 -9.120 1.00 0.00 H new ATOM 1094 N ASP A 149 -6.982 8.976 -4.296 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.795 9.791 -4.060 1.00 0.00 C ATOM 1096 C ASP A 149 -5.433 9.809 -2.579 1.00 0.00 C ATOM 1097 O ASP A 149 -5.489 10.854 -1.929 1.00 0.00 O ATOM 1098 CB ASP A 149 -6.024 11.219 -4.559 1.00 0.00 C ATOM 1099 CG ASP A 149 -4.893 11.711 -5.442 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -4.766 11.209 -6.579 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -4.135 12.598 -4.995 1.00 0.00 O ATOM 0 H ASP A 149 -6.787 8.041 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.966 9.349 -4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -6.960 11.261 -5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -6.131 11.887 -3.704 1.00 0.00 H new ATOM 1106 N GLU A 150 -5.062 8.647 -2.051 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.690 8.530 -0.646 1.00 0.00 C ATOM 1108 C GLU A 150 -3.342 7.832 -0.496 1.00 0.00 C ATOM 1109 O GLU A 150 -3.164 6.699 -0.943 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.764 7.760 0.124 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.255 8.481 1.368 1.00 0.00 C ATOM 1112 CD GLU A 150 -7.355 7.724 2.084 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -7.292 6.478 2.120 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -8.280 8.379 2.610 1.00 0.00 O ATOM 0 H GLU A 150 -5.011 7.773 -2.575 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.606 9.535 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.611 7.575 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.366 6.787 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -5.418 8.631 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -6.621 9.469 1.090 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.370 8.506 0.139 1.00 0.00 N ATOM 1122 CA PRO A 151 -1.029 7.951 0.351 1.00 0.00 C ATOM 1123 C PRO A 151 -1.066 6.606 1.066 1.00 0.00 C ATOM 1124 O PRO A 151 -0.847 6.528 2.276 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.338 9.002 1.225 1.00 0.00 C ATOM 1126 CG PRO A 151 -1.083 10.266 0.965 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.505 9.860 0.701 1.00 0.00 C ATOM 0 HA PRO A 151 -0.516 7.760 -0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -0.380 8.728 2.279 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.715 9.103 0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -1.021 10.939 1.821 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.664 10.798 0.111 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -3.100 9.859 1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.994 10.539 0.003 1.00 0.00 H new ATOM 1135 N LEU A 152 -1.345 5.548 0.312 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.411 4.205 0.875 1.00 0.00 C ATOM 1137 C LEU A 152 -0.102 3.840 1.566 1.00 0.00 C ATOM 1138 O LEU A 152 -0.098 3.355 2.698 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.724 3.184 -0.220 1.00 0.00 C ATOM 1140 CG LEU A 152 -2.966 3.492 -1.056 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -2.761 3.052 -2.498 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -4.190 2.815 -0.459 1.00 0.00 C ATOM 0 H LEU A 152 -1.529 5.595 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 152 -2.210 4.189 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.864 3.114 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.850 2.205 0.242 1.00 0.00 H new ATOM 0 HG LEU A 152 -3.130 4.570 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.655 3.279 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -1.909 3.582 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.572 1.979 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -5.065 3.045 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -4.035 1.736 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -4.348 3.178 0.557 1.00 0.00 H new ATOM 1154 N VAL A 153 1.009 4.076 0.877 1.00 0.00 N ATOM 1155 CA VAL A 153 2.326 3.771 1.423 1.00 0.00 C ATOM 1156 C VAL A 153 3.410 4.590 0.732 1.00 0.00 C ATOM 1157 O VAL A 153 3.631 4.454 -0.471 1.00 0.00 O ATOM 1158 CB VAL A 153 2.660 2.275 1.281 1.00 0.00 C ATOM 1159 CG1 VAL A 153 4.014 1.967 1.901 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.569 1.422 1.912 1.00 0.00 C ATOM 0 H VAL A 153 1.024 4.478 -0.061 1.00 0.00 H new ATOM 0 HA VAL A 153 2.297 4.030 2.481 1.00 0.00 H new ATOM 0 HB VAL A 153 2.710 2.033 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.232 0.905 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 153 4.786 2.550 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 153 3.997 2.225 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 153 1.822 0.368 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.483 1.666 2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 153 0.619 1.621 1.416 1.00 0.00 H new ATOM 1170 N VAL A 154 4.086 5.440 1.500 1.00 0.00 N ATOM 1171 CA VAL A 154 5.148 6.279 0.960 1.00 0.00 C ATOM 1172 C VAL A 154 6.500 5.579 1.047 1.00 0.00 C ATOM 1173 O VAL A 154 6.975 5.258 2.137 1.00 0.00 O ATOM 1174 CB VAL A 154 5.228 7.630 1.696 1.00 0.00 C ATOM 1175 CG1 VAL A 154 3.838 8.213 1.895 1.00 0.00 C ATOM 1176 CG2 VAL A 154 5.943 7.474 3.031 1.00 0.00 C ATOM 0 H VAL A 154 3.916 5.565 2.498 1.00 0.00 H new ATOM 0 HA VAL A 154 4.906 6.462 -0.087 1.00 0.00 H new ATOM 0 HB VAL A 154 5.804 8.321 1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 154 3.915 9.167 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.366 8.367 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.236 7.524 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 154 5.989 8.440 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.398 6.765 3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 154 6.955 7.105 2.861 1.00 0.00 H new ATOM 1186 N ILE A 155 7.114 5.347 -0.108 1.00 0.00 N ATOM 1187 CA ILE A 155 8.413 4.687 -0.167 1.00 0.00 C ATOM 1188 C ILE A 155 9.538 5.702 -0.330 1.00 0.00 C ATOM 1189 O ILE A 155 9.329 6.795 -0.858 1.00 0.00 O ATOM 1190 CB ILE A 155 8.476 3.676 -1.328 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.301 2.701 -1.249 1.00 0.00 C ATOM 1192 CG2 ILE A 155 9.799 2.924 -1.308 1.00 0.00 C ATOM 1193 CD1 ILE A 155 6.855 2.180 -2.600 1.00 0.00 C ATOM 0 H ILE A 155 6.732 5.607 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 155 8.541 4.155 0.776 1.00 0.00 H new ATOM 0 HB ILE A 155 8.407 4.223 -2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 155 7.581 1.858 -0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 155 6.460 3.197 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 155 9.827 2.214 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 155 10.621 3.632 -1.410 1.00 0.00 H new ATOM 0 HG23 ILE A 155 9.898 2.387 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 155 6.018 1.494 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 155 6.544 3.015 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 155 7.682 1.655 -3.079 1.00 0.00 H new ATOM 1205 N GLU A 156 10.731 5.335 0.124 1.00 0.00 N ATOM 1206 CA GLU A 156 11.890 6.215 0.028 1.00 0.00 C ATOM 1207 C GLU A 156 12.670 5.950 -1.255 1.00 0.00 C ATOM 1208 O GLU A 156 13.445 6.838 -1.670 1.00 0.00 O ATOM 1209 CB GLU A 156 12.801 6.026 1.242 1.00 0.00 C ATOM 1210 CG GLU A 156 14.124 6.767 1.130 1.00 0.00 C ATOM 1211 CD GLU A 156 14.731 7.081 2.484 1.00 0.00 C ATOM 1212 OE1 GLU A 156 14.279 6.493 3.489 1.00 0.00 O ATOM 1213 OE2 GLU A 156 15.658 7.916 2.539 1.00 0.00 O ATOM 1214 OXT GLU A 156 12.500 4.857 -1.836 1.00 0.00 O ATOM 0 H GLU A 156 10.921 4.434 0.562 1.00 0.00 H new ATOM 0 HA GLU A 156 11.533 7.245 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 156 12.278 6.367 2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 156 13.000 4.963 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.826 6.166 0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 156 13.971 7.696 0.580 1.00 0.00 H new