USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 574 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 173 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 215 SER OG : rot 80:sc= -1.77! USER MOD Single : A 163 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 164 LYS NZ :NH3+ 135:sc= -0.0658 (180deg=-0.368) USER MOD Single : A 165 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.49) USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot -110:sc= 0.101 USER MOD Single : A 180 SER OG : rot -120:sc= -1.88! USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 MET CE :methyl -178:sc= 0 (180deg=-0.0112) USER MOD Single : A 187 MET CE :methyl -159:sc= -0.269 (180deg=-0.991) USER MOD Single : A 194 CYS SG : rot 10:sc= 0.336 USER MOD Single : A 195 CYS SG : rot 105:sc= 1.08 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 THR OG1 : rot -160:sc= 0 USER MOD Single : A 218 THR OG1 : rot 106:sc= 0.084 USER MOD Single : A 223 HIS : no HD1:sc= -0.605 K(o=-0.61,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 155 14.257 1.620 -2.402 1.00 0.00 N ATOM 66 CA PRO A 155 13.313 0.706 -3.029 1.00 0.00 C ATOM 67 C PRO A 155 11.881 1.193 -2.863 1.00 0.00 C ATOM 68 O PRO A 155 11.562 1.892 -1.901 1.00 0.00 O ATOM 69 CB PRO A 155 13.519 -0.622 -2.285 1.00 0.00 C ATOM 70 CG PRO A 155 14.663 -0.402 -1.349 1.00 0.00 C ATOM 71 CD PRO A 155 14.766 1.081 -1.140 1.00 0.00 C ATOM 0 HA PRO A 155 13.479 0.619 -4.103 1.00 0.00 H new ATOM 0 HB2 PRO A 155 12.619 -0.906 -1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 155 13.737 -1.430 -2.983 1.00 0.00 H new ATOM 0 HG2 PRO A 155 14.494 -0.916 -0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 155 15.588 -0.800 -1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 155 14.171 1.412 -0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 155 15.793 1.393 -0.951 1.00 0.00 H new ATOM 79 N ILE A 156 11.025 0.825 -3.794 1.00 0.00 N ATOM 80 CA ILE A 156 9.640 1.258 -3.770 1.00 0.00 C ATOM 81 C ILE A 156 8.704 0.057 -3.844 1.00 0.00 C ATOM 82 O ILE A 156 9.095 -1.002 -4.320 1.00 0.00 O ATOM 83 CB ILE A 156 9.336 2.238 -4.933 1.00 0.00 C ATOM 84 CG1 ILE A 156 10.100 1.869 -6.214 1.00 0.00 C ATOM 85 CG2 ILE A 156 9.639 3.665 -4.529 1.00 0.00 C ATOM 86 CD1 ILE A 156 9.598 0.614 -6.895 1.00 0.00 C ATOM 0 H ILE A 156 11.265 0.223 -4.582 1.00 0.00 H new ATOM 0 HA ILE A 156 9.473 1.782 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 156 8.271 2.154 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 156 10.034 2.701 -6.915 1.00 0.00 H new ATOM 0 HG13 ILE A 156 11.155 1.740 -5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 156 9.418 4.333 -5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 156 9.025 3.938 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 156 10.693 3.752 -4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 156 10.190 0.424 -7.790 1.00 0.00 H new ATOM 0 HD12 ILE A 156 9.690 -0.231 -6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 156 8.552 0.744 -7.173 1.00 0.00 H new ATOM 98 N VAL A 157 7.478 0.215 -3.362 1.00 0.00 N ATOM 99 CA VAL A 157 6.495 -0.864 -3.423 1.00 0.00 C ATOM 100 C VAL A 157 5.213 -0.376 -4.123 1.00 0.00 C ATOM 101 O VAL A 157 4.720 0.720 -3.839 1.00 0.00 O ATOM 102 CB VAL A 157 6.189 -1.466 -2.016 1.00 0.00 C ATOM 103 CG1 VAL A 157 6.809 -0.642 -0.897 1.00 0.00 C ATOM 104 CG2 VAL A 157 4.699 -1.643 -1.782 1.00 0.00 C ATOM 0 H VAL A 157 7.140 1.073 -2.927 1.00 0.00 H new ATOM 0 HA VAL A 157 6.925 -1.673 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 157 6.649 -2.454 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.571 -1.097 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.891 -0.610 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 157 6.410 0.372 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 157 4.534 -2.065 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 157 4.202 -0.675 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 157 4.290 -2.316 -2.535 1.00 0.00 H new ATOM 114 N ARG A 158 4.693 -1.189 -5.048 1.00 0.00 N ATOM 115 CA ARG A 158 3.649 -0.749 -5.985 1.00 0.00 C ATOM 116 C ARG A 158 2.253 -1.100 -5.500 1.00 0.00 C ATOM 117 O ARG A 158 1.831 -2.246 -5.575 1.00 0.00 O ATOM 118 CB ARG A 158 3.896 -1.371 -7.365 1.00 0.00 C ATOM 119 CG ARG A 158 5.244 -0.987 -7.934 1.00 0.00 C ATOM 120 CD ARG A 158 5.520 -1.593 -9.298 1.00 0.00 C ATOM 121 NE ARG A 158 5.672 -3.047 -9.249 1.00 0.00 N ATOM 122 CZ ARG A 158 6.061 -3.793 -10.285 1.00 0.00 C ATOM 123 NH1 ARG A 158 6.326 -3.234 -11.457 1.00 0.00 N ATOM 124 NH2 ARG A 158 6.197 -5.101 -10.136 1.00 0.00 N ATOM 0 H ARG A 158 4.979 -2.161 -5.170 1.00 0.00 H new ATOM 0 HA ARG A 158 3.705 0.338 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 158 3.832 -2.456 -7.289 1.00 0.00 H new ATOM 0 HB3 ARG A 158 3.111 -1.053 -8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 158 5.302 0.099 -8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 158 6.025 -1.301 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 158 4.705 -1.340 -9.975 1.00 0.00 H new ATOM 0 HD3 ARG A 158 6.427 -1.151 -9.711 1.00 0.00 H new ATOM 0 HE ARG A 158 5.468 -3.520 -8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 158 6.233 -2.225 -11.573 1.00 0.00 H new ATOM 0 HH12 ARG A 158 6.623 -3.813 -12.243 1.00 0.00 H new ATOM 0 HH21 ARG A 158 6.005 -5.534 -9.233 1.00 0.00 H new ATOM 0 HH22 ARG A 158 6.494 -5.676 -10.924 1.00 0.00 H new ATOM 138 N VAL A 159 1.531 -0.099 -5.031 1.00 0.00 N ATOM 139 CA VAL A 159 0.198 -0.301 -4.512 1.00 0.00 C ATOM 140 C VAL A 159 -0.864 0.001 -5.553 1.00 0.00 C ATOM 141 O VAL A 159 -0.792 1.004 -6.258 1.00 0.00 O ATOM 142 CB VAL A 159 -0.073 0.577 -3.286 1.00 0.00 C ATOM 143 CG1 VAL A 159 -1.288 0.059 -2.558 1.00 0.00 C ATOM 144 CG2 VAL A 159 1.117 0.595 -2.377 1.00 0.00 C ATOM 0 H VAL A 159 1.852 0.869 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 159 0.145 -1.352 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 159 -0.261 1.600 -3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -1.482 0.682 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -2.151 0.087 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -1.110 -0.968 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 159 0.905 1.224 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 159 1.335 -0.419 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 159 1.978 0.994 -2.913 1.00 0.00 H new ATOM 154 N PHE A 160 -1.842 -0.876 -5.633 1.00 0.00 N ATOM 155 CA PHE A 160 -2.996 -0.684 -6.490 1.00 0.00 C ATOM 156 C PHE A 160 -4.151 -0.119 -5.679 1.00 0.00 C ATOM 157 O PHE A 160 -4.828 -0.844 -4.959 1.00 0.00 O ATOM 158 CB PHE A 160 -3.392 -2.005 -7.137 1.00 0.00 C ATOM 159 CG PHE A 160 -2.430 -2.460 -8.197 1.00 0.00 C ATOM 160 CD1 PHE A 160 -1.245 -3.091 -7.853 1.00 0.00 C ATOM 161 CD2 PHE A 160 -2.711 -2.253 -9.536 1.00 0.00 C ATOM 162 CE1 PHE A 160 -0.360 -3.510 -8.827 1.00 0.00 C ATOM 163 CE2 PHE A 160 -1.830 -2.669 -10.514 1.00 0.00 C ATOM 164 CZ PHE A 160 -0.653 -3.299 -10.159 1.00 0.00 C ATOM 0 H PHE A 160 -1.860 -1.747 -5.103 1.00 0.00 H new ATOM 0 HA PHE A 160 -2.743 0.024 -7.279 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -3.462 -2.772 -6.366 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -4.384 -1.903 -7.576 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -1.011 -3.257 -6.812 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -3.630 -1.761 -9.819 1.00 0.00 H new ATOM 0 HE1 PHE A 160 0.560 -4.002 -8.547 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -2.061 -2.502 -11.556 1.00 0.00 H new ATOM 0 HZ PHE A 160 0.037 -3.626 -10.923 1.00 0.00 H new ATOM 174 N LEU A 161 -4.382 1.170 -5.836 1.00 0.00 N ATOM 175 CA LEU A 161 -5.308 1.907 -4.994 1.00 0.00 C ATOM 176 C LEU A 161 -6.747 1.773 -5.507 1.00 0.00 C ATOM 177 O LEU A 161 -6.971 1.177 -6.563 1.00 0.00 O ATOM 178 CB LEU A 161 -4.866 3.374 -4.957 1.00 0.00 C ATOM 179 CG LEU A 161 -3.431 3.590 -4.493 1.00 0.00 C ATOM 180 CD1 LEU A 161 -2.697 4.455 -5.492 1.00 0.00 C ATOM 181 CD2 LEU A 161 -3.405 4.228 -3.114 1.00 0.00 C ATOM 0 H LEU A 161 -3.932 1.739 -6.553 1.00 0.00 H new ATOM 0 HA LEU A 161 -5.294 1.496 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -4.980 3.800 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -5.535 3.925 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 161 -2.932 2.623 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -1.671 4.607 -5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -2.692 3.963 -6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -3.198 5.419 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -2.371 4.374 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -3.913 5.192 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -3.912 3.576 -2.402 1.00 0.00 H new ATOM 193 N PRO A 162 -7.742 2.298 -4.758 1.00 0.00 N ATOM 194 CA PRO A 162 -9.157 2.260 -5.160 1.00 0.00 C ATOM 195 C PRO A 162 -9.388 2.723 -6.599 1.00 0.00 C ATOM 196 O PRO A 162 -8.606 3.503 -7.148 1.00 0.00 O ATOM 197 CB PRO A 162 -9.819 3.214 -4.169 1.00 0.00 C ATOM 198 CG PRO A 162 -8.985 3.089 -2.947 1.00 0.00 C ATOM 199 CD PRO A 162 -7.579 2.949 -3.444 1.00 0.00 C ATOM 0 HA PRO A 162 -9.558 1.246 -5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 162 -9.828 4.237 -4.544 1.00 0.00 H new ATOM 0 HB3 PRO A 162 -10.855 2.935 -3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 162 -9.091 3.965 -2.307 1.00 0.00 H new ATOM 0 HG3 PRO A 162 -9.281 2.223 -2.355 1.00 0.00 H new ATOM 0 HD2 PRO A 162 -7.087 3.917 -3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 162 -6.973 2.345 -2.769 1.00 0.00 H new ATOM 207 N ASN A 163 -10.467 2.223 -7.197 1.00 0.00 N ATOM 208 CA ASN A 163 -10.795 2.473 -8.605 1.00 0.00 C ATOM 209 C ASN A 163 -9.719 1.894 -9.514 1.00 0.00 C ATOM 210 O ASN A 163 -9.533 2.352 -10.642 1.00 0.00 O ATOM 211 CB ASN A 163 -10.976 3.967 -8.903 1.00 0.00 C ATOM 212 CG ASN A 163 -12.109 4.599 -8.122 1.00 0.00 C ATOM 213 OD1 ASN A 163 -13.044 3.924 -7.688 1.00 0.00 O ATOM 214 ND2 ASN A 163 -12.047 5.909 -7.959 1.00 0.00 N ATOM 0 H ASN A 163 -11.144 1.629 -6.719 1.00 0.00 H new ATOM 0 HA ASN A 163 -11.746 1.978 -8.802 1.00 0.00 H new ATOM 0 HB2 ASN A 163 -10.048 4.491 -8.673 1.00 0.00 H new ATOM 0 HB3 ASN A 163 -11.161 4.098 -9.969 1.00 0.00 H new ATOM 0 HD21 ASN A 163 -12.790 6.396 -7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 163 -11.256 6.433 -8.333 1.00 0.00 H new ATOM 221 N LYS A 164 -9.011 0.890 -8.999 1.00 0.00 N ATOM 222 CA LYS A 164 -7.966 0.198 -9.748 1.00 0.00 C ATOM 223 C LYS A 164 -6.848 1.157 -10.144 1.00 0.00 C ATOM 224 O LYS A 164 -6.369 1.146 -11.279 1.00 0.00 O ATOM 225 CB LYS A 164 -8.556 -0.487 -10.987 1.00 0.00 C ATOM 226 CG LYS A 164 -9.626 -1.528 -10.673 1.00 0.00 C ATOM 227 CD LYS A 164 -9.041 -2.911 -10.387 1.00 0.00 C ATOM 228 CE LYS A 164 -8.294 -2.985 -9.062 1.00 0.00 C ATOM 229 NZ LYS A 164 -9.153 -2.603 -7.913 1.00 0.00 N ATOM 0 H LYS A 164 -9.146 0.535 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 164 -7.537 -0.567 -9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -8.985 0.273 -11.640 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -7.750 -0.966 -11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -10.205 -1.198 -9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -10.317 -1.597 -11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -9.846 -3.645 -10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -8.363 -3.185 -11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -7.920 -3.998 -8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -7.426 -2.327 -9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -9.019 -3.284 -7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -8.892 -1.651 -7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -10.150 -2.607 -8.209 1.00 0.00 H new ATOM 243 N GLN A 165 -6.446 1.992 -9.200 1.00 0.00 N ATOM 244 CA GLN A 165 -5.355 2.922 -9.409 1.00 0.00 C ATOM 245 C GLN A 165 -4.041 2.277 -8.991 1.00 0.00 C ATOM 246 O GLN A 165 -4.025 1.132 -8.553 1.00 0.00 O ATOM 247 CB GLN A 165 -5.608 4.207 -8.616 1.00 0.00 C ATOM 248 CG GLN A 165 -6.727 5.061 -9.191 1.00 0.00 C ATOM 249 CD GLN A 165 -6.425 5.547 -10.595 1.00 0.00 C ATOM 250 OE1 GLN A 165 -6.733 4.875 -11.579 1.00 0.00 O ATOM 251 NE2 GLN A 165 -5.825 6.723 -10.695 1.00 0.00 N ATOM 0 H GLN A 165 -6.866 2.042 -8.272 1.00 0.00 H new ATOM 0 HA GLN A 165 -5.293 3.178 -10.467 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -5.852 3.947 -7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.690 4.795 -8.588 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -7.651 4.484 -9.201 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -6.895 5.920 -8.541 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -5.587 7.247 -9.853 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -5.601 7.105 -11.614 1.00 0.00 H new ATOM 260 N ARG A 166 -2.941 2.987 -9.161 1.00 0.00 N ATOM 261 CA ARG A 166 -1.649 2.493 -8.728 1.00 0.00 C ATOM 262 C ARG A 166 -0.762 3.641 -8.282 1.00 0.00 C ATOM 263 O ARG A 166 -0.945 4.778 -8.716 1.00 0.00 O ATOM 264 CB ARG A 166 -0.969 1.724 -9.846 1.00 0.00 C ATOM 265 CG ARG A 166 0.254 0.985 -9.390 1.00 0.00 C ATOM 266 CD ARG A 166 0.837 0.186 -10.518 1.00 0.00 C ATOM 267 NE ARG A 166 1.752 0.981 -11.333 1.00 0.00 N ATOM 268 CZ ARG A 166 2.399 0.522 -12.403 1.00 0.00 C ATOM 269 NH1 ARG A 166 2.240 -0.734 -12.799 1.00 0.00 N ATOM 270 NH2 ARG A 166 3.208 1.327 -13.081 1.00 0.00 N ATOM 0 H ARG A 166 -2.918 3.909 -9.597 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.809 1.821 -7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -1.677 1.014 -10.274 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -0.693 2.417 -10.640 1.00 0.00 H new ATOM 0 HG2 ARG A 166 0.995 1.692 -9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -0.001 0.324 -8.562 1.00 0.00 H new ATOM 0 HD2 ARG A 166 1.366 -0.678 -10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 166 0.032 -0.197 -11.145 1.00 0.00 H new ATOM 0 HE ARG A 166 1.906 1.953 -11.065 1.00 0.00 H new ATOM 0 HH11 ARG A 166 1.618 -1.357 -12.283 1.00 0.00 H new ATOM 0 HH12 ARG A 166 2.739 -1.077 -13.620 1.00 0.00 H new ATOM 0 HH21 ARG A 166 3.333 2.294 -12.782 1.00 0.00 H new ATOM 0 HH22 ARG A 166 3.705 0.978 -13.901 1.00 0.00 H new ATOM 284 N THR A 167 0.172 3.346 -7.394 1.00 0.00 N ATOM 285 CA THR A 167 1.210 4.294 -7.033 1.00 0.00 C ATOM 286 C THR A 167 2.336 3.551 -6.337 1.00 0.00 C ATOM 287 O THR A 167 2.107 2.504 -5.728 1.00 0.00 O ATOM 288 CB THR A 167 0.679 5.428 -6.121 1.00 0.00 C ATOM 289 OG1 THR A 167 1.499 6.594 -6.263 1.00 0.00 O ATOM 290 CG2 THR A 167 0.665 5.012 -4.658 1.00 0.00 C ATOM 0 H THR A 167 0.232 2.451 -6.908 1.00 0.00 H new ATOM 0 HA THR A 167 1.572 4.764 -7.947 1.00 0.00 H new ATOM 0 HB THR A 167 -0.344 5.644 -6.430 1.00 0.00 H new ATOM 0 HG1 THR A 167 1.156 7.307 -5.685 1.00 0.00 H new ATOM 0 HG21 THR A 167 0.286 5.833 -4.050 1.00 0.00 H new ATOM 0 HG22 THR A 167 0.021 4.141 -4.533 1.00 0.00 H new ATOM 0 HG23 THR A 167 1.678 4.762 -4.341 1.00 0.00 H new ATOM 298 N VAL A 168 3.550 4.057 -6.439 1.00 0.00 N ATOM 299 CA VAL A 168 4.657 3.423 -5.756 1.00 0.00 C ATOM 300 C VAL A 168 5.214 4.344 -4.691 1.00 0.00 C ATOM 301 O VAL A 168 5.527 5.507 -4.952 1.00 0.00 O ATOM 302 CB VAL A 168 5.787 2.990 -6.717 1.00 0.00 C ATOM 303 CG1 VAL A 168 6.250 1.619 -6.346 1.00 0.00 C ATOM 304 CG2 VAL A 168 5.333 3.008 -8.165 1.00 0.00 C ATOM 0 H VAL A 168 3.791 4.889 -6.978 1.00 0.00 H new ATOM 0 HA VAL A 168 4.262 2.518 -5.295 1.00 0.00 H new ATOM 0 HB VAL A 168 6.607 3.702 -6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 168 7.047 1.309 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 168 6.624 1.626 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 168 5.417 0.920 -6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 168 6.156 2.697 -8.808 1.00 0.00 H new ATOM 0 HG22 VAL A 168 4.495 2.323 -8.292 1.00 0.00 H new ATOM 0 HG23 VAL A 168 5.021 4.017 -8.436 1.00 0.00 H new ATOM 314 N VAL A 169 5.329 3.812 -3.492 1.00 0.00 N ATOM 315 CA VAL A 169 5.830 4.564 -2.363 1.00 0.00 C ATOM 316 C VAL A 169 7.139 3.947 -1.884 1.00 0.00 C ATOM 317 O VAL A 169 7.253 2.724 -1.790 1.00 0.00 O ATOM 318 CB VAL A 169 4.783 4.606 -1.218 1.00 0.00 C ATOM 319 CG1 VAL A 169 4.345 3.205 -0.819 1.00 0.00 C ATOM 320 CG2 VAL A 169 5.314 5.368 -0.013 1.00 0.00 C ATOM 0 H VAL A 169 5.078 2.848 -3.274 1.00 0.00 H new ATOM 0 HA VAL A 169 6.016 5.592 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 169 3.909 5.137 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 169 3.612 3.268 -0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 169 3.899 2.705 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 169 5.210 2.637 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 169 4.558 5.380 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 169 6.215 4.879 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 169 5.550 6.391 -0.305 1.00 0.00 H new ATOM 330 N PRO A 170 8.168 4.779 -1.642 1.00 0.00 N ATOM 331 CA PRO A 170 9.466 4.299 -1.171 1.00 0.00 C ATOM 332 C PRO A 170 9.349 3.543 0.141 1.00 0.00 C ATOM 333 O PRO A 170 8.711 4.013 1.086 1.00 0.00 O ATOM 334 CB PRO A 170 10.291 5.573 -0.987 1.00 0.00 C ATOM 335 CG PRO A 170 9.613 6.600 -1.823 1.00 0.00 C ATOM 336 CD PRO A 170 8.158 6.241 -1.818 1.00 0.00 C ATOM 0 HA PRO A 170 9.916 3.596 -1.872 1.00 0.00 H new ATOM 0 HB2 PRO A 170 10.321 5.875 0.060 1.00 0.00 H new ATOM 0 HB3 PRO A 170 11.323 5.424 -1.306 1.00 0.00 H new ATOM 0 HG2 PRO A 170 9.770 7.599 -1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 170 10.011 6.602 -2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 170 7.624 6.739 -1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 170 7.669 6.530 -2.748 1.00 0.00 H new ATOM 344 N ALA A 171 9.969 2.374 0.184 1.00 0.00 N ATOM 345 CA ALA A 171 9.903 1.499 1.341 1.00 0.00 C ATOM 346 C ALA A 171 10.755 2.044 2.481 1.00 0.00 C ATOM 347 O ALA A 171 11.855 1.556 2.751 1.00 0.00 O ATOM 348 CB ALA A 171 10.340 0.099 0.952 1.00 0.00 C ATOM 0 H ALA A 171 10.532 2.006 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 171 8.872 1.456 1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 171 10.289 -0.554 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 171 9.682 -0.284 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 171 11.364 0.128 0.580 1.00 0.00 H new ATOM 354 N ARG A 172 10.229 3.069 3.126 1.00 0.00 N ATOM 355 CA ARG A 172 10.907 3.754 4.213 1.00 0.00 C ATOM 356 C ARG A 172 11.021 2.868 5.448 1.00 0.00 C ATOM 357 O ARG A 172 10.021 2.567 6.097 1.00 0.00 O ATOM 358 CB ARG A 172 10.136 5.014 4.560 1.00 0.00 C ATOM 359 CG ARG A 172 10.127 6.037 3.445 1.00 0.00 C ATOM 360 CD ARG A 172 9.467 7.317 3.900 1.00 0.00 C ATOM 361 NE ARG A 172 9.369 8.297 2.820 1.00 0.00 N ATOM 362 CZ ARG A 172 8.681 9.434 2.906 1.00 0.00 C ATOM 363 NH1 ARG A 172 8.011 9.728 4.017 1.00 0.00 N ATOM 364 NH2 ARG A 172 8.653 10.273 1.877 1.00 0.00 N ATOM 0 H ARG A 172 9.310 3.454 2.908 1.00 0.00 H new ATOM 0 HA ARG A 172 11.917 4.004 3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 172 9.108 4.746 4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 172 10.571 5.464 5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 172 11.149 6.243 3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 172 9.597 5.636 2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 172 8.470 7.095 4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 172 10.035 7.744 4.726 1.00 0.00 H new ATOM 0 HE ARG A 172 9.857 8.098 1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 172 8.023 9.082 4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 172 7.485 10.600 4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 172 9.159 10.047 1.020 1.00 0.00 H new ATOM 0 HH22 ARG A 172 8.126 11.144 1.943 1.00 0.00 H new ATOM 378 N CYS A 173 12.240 2.471 5.779 1.00 0.00 N ATOM 379 CA CYS A 173 12.468 1.635 6.948 1.00 0.00 C ATOM 380 C CYS A 173 12.234 2.438 8.220 1.00 0.00 C ATOM 381 O CYS A 173 12.924 3.427 8.479 1.00 0.00 O ATOM 382 CB CYS A 173 13.883 1.065 6.923 1.00 0.00 C ATOM 383 SG CYS A 173 14.267 0.164 5.405 1.00 0.00 S ATOM 0 H CYS A 173 13.083 2.713 5.258 1.00 0.00 H new ATOM 0 HA CYS A 173 11.764 0.803 6.930 1.00 0.00 H new ATOM 0 HB2 CYS A 173 14.597 1.880 7.044 1.00 0.00 H new ATOM 0 HB3 CYS A 173 14.013 0.398 7.775 1.00 0.00 H new ATOM 0 HG CYS A 173 15.486 -0.285 5.463 1.00 0.00 H new ATOM 389 N GLY A 174 11.241 2.031 8.995 1.00 0.00 N ATOM 390 CA GLY A 174 10.909 2.753 10.202 1.00 0.00 C ATOM 391 C GLY A 174 9.621 3.534 10.057 1.00 0.00 C ATOM 392 O GLY A 174 9.130 4.126 11.020 1.00 0.00 O ATOM 0 H GLY A 174 10.660 1.214 8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 174 10.816 2.051 11.031 1.00 0.00 H new ATOM 0 HA3 GLY A 174 11.721 3.436 10.452 1.00 0.00 H new ATOM 396 N VAL A 175 9.074 3.544 8.851 1.00 0.00 N ATOM 397 CA VAL A 175 7.812 4.214 8.597 1.00 0.00 C ATOM 398 C VAL A 175 6.699 3.179 8.508 1.00 0.00 C ATOM 399 O VAL A 175 6.902 2.075 7.999 1.00 0.00 O ATOM 400 CB VAL A 175 7.866 5.074 7.302 1.00 0.00 C ATOM 401 CG1 VAL A 175 6.892 4.598 6.237 1.00 0.00 C ATOM 402 CG2 VAL A 175 7.577 6.526 7.617 1.00 0.00 C ATOM 0 H VAL A 175 9.486 3.095 8.033 1.00 0.00 H new ATOM 0 HA VAL A 175 7.612 4.894 9.425 1.00 0.00 H new ATOM 0 HB VAL A 175 8.876 4.965 6.906 1.00 0.00 H new ATOM 0 HG11 VAL A 175 6.975 5.236 5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 175 7.127 3.569 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 175 5.875 4.647 6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 175 7.619 7.113 6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 175 6.584 6.612 8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 175 8.320 6.900 8.321 1.00 0.00 H new ATOM 412 N THR A 176 5.536 3.523 9.018 1.00 0.00 N ATOM 413 CA THR A 176 4.415 2.612 8.974 1.00 0.00 C ATOM 414 C THR A 176 3.626 2.782 7.690 1.00 0.00 C ATOM 415 O THR A 176 3.671 3.845 7.064 1.00 0.00 O ATOM 416 CB THR A 176 3.497 2.792 10.190 1.00 0.00 C ATOM 417 OG1 THR A 176 3.393 4.181 10.534 1.00 0.00 O ATOM 418 CG2 THR A 176 4.020 2.000 11.375 1.00 0.00 C ATOM 0 H THR A 176 5.344 4.420 9.464 1.00 0.00 H new ATOM 0 HA THR A 176 4.819 1.600 9.002 1.00 0.00 H new ATOM 0 HB THR A 176 2.507 2.417 9.931 1.00 0.00 H new ATOM 0 HG1 THR A 176 3.859 4.344 11.381 1.00 0.00 H new ATOM 0 HG21 THR A 176 3.356 2.140 12.228 1.00 0.00 H new ATOM 0 HG22 THR A 176 4.060 0.942 11.116 1.00 0.00 H new ATOM 0 HG23 THR A 176 5.020 2.349 11.633 1.00 0.00 H new ATOM 426 N VAL A 177 2.929 1.726 7.291 1.00 0.00 N ATOM 427 CA VAL A 177 2.097 1.747 6.095 1.00 0.00 C ATOM 428 C VAL A 177 1.124 2.926 6.136 1.00 0.00 C ATOM 429 O VAL A 177 0.827 3.518 5.112 1.00 0.00 O ATOM 430 CB VAL A 177 1.312 0.421 5.941 1.00 0.00 C ATOM 431 CG1 VAL A 177 0.354 0.476 4.764 1.00 0.00 C ATOM 432 CG2 VAL A 177 2.269 -0.748 5.781 1.00 0.00 C ATOM 0 H VAL A 177 2.924 0.834 7.785 1.00 0.00 H new ATOM 0 HA VAL A 177 2.755 1.862 5.234 1.00 0.00 H new ATOM 0 HB VAL A 177 0.724 0.278 6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 177 -0.180 -0.471 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 177 -0.361 1.285 4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 177 0.915 0.653 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 177 1.700 -1.672 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 177 2.884 -0.596 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 177 2.910 -0.816 6.660 1.00 0.00 H new ATOM 442 N ARG A 178 0.647 3.281 7.324 1.00 0.00 N ATOM 443 CA ARG A 178 -0.222 4.441 7.469 1.00 0.00 C ATOM 444 C ARG A 178 0.436 5.702 6.935 1.00 0.00 C ATOM 445 O ARG A 178 -0.174 6.421 6.166 1.00 0.00 O ATOM 446 CB ARG A 178 -0.667 4.648 8.921 1.00 0.00 C ATOM 447 CG ARG A 178 0.435 4.487 9.951 1.00 0.00 C ATOM 448 CD ARG A 178 -0.102 4.607 11.366 1.00 0.00 C ATOM 449 NE ARG A 178 0.936 4.368 12.369 1.00 0.00 N ATOM 450 CZ ARG A 178 0.691 3.909 13.600 1.00 0.00 C ATOM 451 NH1 ARG A 178 -0.552 3.633 13.979 1.00 0.00 N ATOM 452 NH2 ARG A 178 1.693 3.724 14.451 1.00 0.00 N ATOM 0 H ARG A 178 0.846 2.786 8.194 1.00 0.00 H new ATOM 0 HA ARG A 178 -1.111 4.238 6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -1.093 5.647 9.017 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -1.463 3.939 9.147 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.914 3.516 9.824 1.00 0.00 H new ATOM 0 HG3 ARG A 178 1.201 5.244 9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -0.523 5.602 11.511 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -0.914 3.893 11.507 1.00 0.00 H new ATOM 0 HE ARG A 178 1.904 4.563 12.114 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -1.326 3.771 13.329 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -0.732 3.283 14.920 1.00 0.00 H new ATOM 0 HH21 ARG A 178 2.650 3.932 14.165 1.00 0.00 H new ATOM 0 HH22 ARG A 178 1.506 3.374 15.391 1.00 0.00 H new ATOM 466 N ASP A 179 1.684 5.955 7.307 1.00 0.00 N ATOM 467 CA ASP A 179 2.359 7.187 6.888 1.00 0.00 C ATOM 468 C ASP A 179 2.711 7.136 5.407 1.00 0.00 C ATOM 469 O ASP A 179 2.479 8.092 4.662 1.00 0.00 O ATOM 470 CB ASP A 179 3.626 7.413 7.709 1.00 0.00 C ATOM 471 CG ASP A 179 4.283 8.745 7.401 1.00 0.00 C ATOM 472 OD1 ASP A 179 3.902 9.754 8.032 1.00 0.00 O ATOM 473 OD2 ASP A 179 5.183 8.791 6.539 1.00 0.00 O ATOM 0 H ASP A 179 2.247 5.336 7.890 1.00 0.00 H new ATOM 0 HA ASP A 179 1.673 8.017 7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.381 7.368 8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.333 6.607 7.511 1.00 0.00 H new ATOM 478 N SER A 180 3.256 6.006 4.995 1.00 0.00 N ATOM 479 CA SER A 180 3.668 5.796 3.623 1.00 0.00 C ATOM 480 C SER A 180 2.473 5.849 2.667 1.00 0.00 C ATOM 481 O SER A 180 2.466 6.610 1.695 1.00 0.00 O ATOM 482 CB SER A 180 4.373 4.445 3.544 1.00 0.00 C ATOM 483 OG SER A 180 3.732 3.491 4.367 1.00 0.00 O ATOM 0 H SER A 180 3.425 5.207 5.606 1.00 0.00 H new ATOM 0 HA SER A 180 4.348 6.591 3.317 1.00 0.00 H new ATOM 0 HB2 SER A 180 4.380 4.094 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 180 5.413 4.555 3.851 1.00 0.00 H new ATOM 0 HG SER A 180 4.364 3.161 5.039 1.00 0.00 H new ATOM 489 N LEU A 181 1.462 5.048 2.967 1.00 0.00 N ATOM 490 CA LEU A 181 0.251 4.977 2.162 1.00 0.00 C ATOM 491 C LEU A 181 -0.567 6.246 2.293 1.00 0.00 C ATOM 492 O LEU A 181 -1.353 6.572 1.409 1.00 0.00 O ATOM 493 CB LEU A 181 -0.592 3.779 2.579 1.00 0.00 C ATOM 494 CG LEU A 181 -0.217 2.439 1.941 1.00 0.00 C ATOM 495 CD1 LEU A 181 -0.953 2.279 0.629 1.00 0.00 C ATOM 496 CD2 LEU A 181 1.283 2.338 1.718 1.00 0.00 C ATOM 0 H LEU A 181 1.458 4.428 3.777 1.00 0.00 H new ATOM 0 HA LEU A 181 0.549 4.863 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 181 -0.527 3.674 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 181 -1.634 3.993 2.341 1.00 0.00 H new ATOM 0 HG LEU A 181 -0.508 1.638 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 181 -0.685 1.325 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 181 -2.028 2.306 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 181 -0.677 3.091 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 181 1.519 1.376 1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 181 1.607 3.141 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 181 1.800 2.425 2.674 1.00 0.00 H new ATOM 508 N LYS A 182 -0.393 6.958 3.401 1.00 0.00 N ATOM 509 CA LYS A 182 -1.057 8.245 3.568 1.00 0.00 C ATOM 510 C LYS A 182 -0.665 9.162 2.439 1.00 0.00 C ATOM 511 O LYS A 182 -1.521 9.722 1.774 1.00 0.00 O ATOM 512 CB LYS A 182 -0.716 8.922 4.893 1.00 0.00 C ATOM 513 CG LYS A 182 -1.871 8.948 5.880 1.00 0.00 C ATOM 514 CD LYS A 182 -1.492 9.672 7.158 1.00 0.00 C ATOM 515 CE LYS A 182 -0.770 8.753 8.115 1.00 0.00 C ATOM 516 NZ LYS A 182 -0.297 9.472 9.323 1.00 0.00 N ATOM 0 H LYS A 182 0.193 6.672 4.186 1.00 0.00 H new ATOM 0 HA LYS A 182 -2.130 8.052 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 182 0.128 8.405 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -0.395 9.945 4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -2.731 9.439 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -2.174 7.928 6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -0.857 10.525 6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -2.389 10.066 7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 182 -1.436 7.943 8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.080 8.297 7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 0.193 8.806 9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 0.359 10.229 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 -1.111 9.886 9.821 1.00 0.00 H new ATOM 530 N LYS A 183 0.635 9.290 2.209 1.00 0.00 N ATOM 531 CA LYS A 183 1.120 10.102 1.111 1.00 0.00 C ATOM 532 C LYS A 183 0.613 9.542 -0.214 1.00 0.00 C ATOM 533 O LYS A 183 0.171 10.290 -1.076 1.00 0.00 O ATOM 534 CB LYS A 183 2.652 10.169 1.111 1.00 0.00 C ATOM 535 CG LYS A 183 3.232 11.025 -0.012 1.00 0.00 C ATOM 536 CD LYS A 183 3.403 12.495 0.380 1.00 0.00 C ATOM 537 CE LYS A 183 2.109 13.135 0.863 1.00 0.00 C ATOM 538 NZ LYS A 183 2.295 14.572 1.196 1.00 0.00 N ATOM 0 H LYS A 183 1.364 8.844 2.766 1.00 0.00 H new ATOM 0 HA LYS A 183 0.739 11.115 1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 183 2.989 10.566 2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 183 3.050 9.158 1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 183 4.200 10.619 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 183 2.580 10.961 -0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 183 4.155 12.571 1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 183 3.780 13.053 -0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 183 1.345 13.036 0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 183 1.746 12.602 1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 1.392 14.973 1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 3.006 14.665 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 2.617 15.085 0.351 1.00 0.00 H new ATOM 552 N ALA A 184 0.656 8.221 -0.348 1.00 0.00 N ATOM 553 CA ALA A 184 0.182 7.548 -1.555 1.00 0.00 C ATOM 554 C ALA A 184 -1.249 7.960 -1.898 1.00 0.00 C ATOM 555 O ALA A 184 -1.503 8.538 -2.952 1.00 0.00 O ATOM 556 CB ALA A 184 0.271 6.040 -1.370 1.00 0.00 C ATOM 0 H ALA A 184 1.016 7.591 0.368 1.00 0.00 H new ATOM 0 HA ALA A 184 0.819 7.848 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 184 -0.083 5.541 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.307 5.757 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 184 -0.347 5.740 -0.523 1.00 0.00 H new ATOM 562 N LEU A 185 -2.169 7.678 -0.989 1.00 0.00 N ATOM 563 CA LEU A 185 -3.579 7.991 -1.180 1.00 0.00 C ATOM 564 C LEU A 185 -3.806 9.496 -1.248 1.00 0.00 C ATOM 565 O LEU A 185 -4.526 9.980 -2.113 1.00 0.00 O ATOM 566 CB LEU A 185 -4.407 7.390 -0.043 1.00 0.00 C ATOM 567 CG LEU A 185 -4.519 5.866 -0.057 1.00 0.00 C ATOM 568 CD1 LEU A 185 -4.221 5.276 1.307 1.00 0.00 C ATOM 569 CD2 LEU A 185 -5.899 5.455 -0.501 1.00 0.00 C ATOM 0 H LEU A 185 -1.961 7.226 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 185 -3.896 7.557 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 185 -3.969 7.698 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 185 -5.411 7.813 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 185 -3.780 5.482 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 185 -4.310 4.191 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 185 -3.208 5.545 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 185 -4.931 5.668 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 185 -5.970 4.367 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 185 -6.639 5.863 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 185 -6.087 5.837 -1.504 1.00 0.00 H new ATOM 581 N MET A 186 -3.174 10.230 -0.343 1.00 0.00 N ATOM 582 CA MET A 186 -3.345 11.680 -0.268 1.00 0.00 C ATOM 583 C MET A 186 -2.892 12.379 -1.551 1.00 0.00 C ATOM 584 O MET A 186 -3.462 13.398 -1.940 1.00 0.00 O ATOM 585 CB MET A 186 -2.617 12.257 0.954 1.00 0.00 C ATOM 586 CG MET A 186 -3.499 12.339 2.186 1.00 0.00 C ATOM 587 SD MET A 186 -4.948 13.378 1.925 1.00 0.00 S ATOM 588 CE MET A 186 -5.812 13.121 3.470 1.00 0.00 C ATOM 0 H MET A 186 -2.535 9.846 0.353 1.00 0.00 H new ATOM 0 HA MET A 186 -4.412 11.871 -0.155 1.00 0.00 H new ATOM 0 HB2 MET A 186 -1.747 11.639 1.177 1.00 0.00 H new ATOM 0 HB3 MET A 186 -2.247 13.253 0.712 1.00 0.00 H new ATOM 0 HG2 MET A 186 -3.820 11.336 2.467 1.00 0.00 H new ATOM 0 HG3 MET A 186 -2.918 12.733 3.020 1.00 0.00 H new ATOM 0 HE1 MET A 186 -6.754 13.670 3.456 1.00 0.00 H new ATOM 0 HE2 MET A 186 -6.013 12.058 3.602 1.00 0.00 H new ATOM 0 HE3 MET A 186 -5.196 13.479 4.295 1.00 0.00 H new ATOM 598 N MET A 187 -1.884 11.827 -2.220 1.00 0.00 N ATOM 599 CA MET A 187 -1.442 12.373 -3.506 1.00 0.00 C ATOM 600 C MET A 187 -2.408 11.956 -4.610 1.00 0.00 C ATOM 601 O MET A 187 -2.502 12.602 -5.652 1.00 0.00 O ATOM 602 CB MET A 187 -0.028 11.898 -3.868 1.00 0.00 C ATOM 603 CG MET A 187 1.064 12.389 -2.929 1.00 0.00 C ATOM 604 SD MET A 187 2.721 11.921 -3.476 1.00 0.00 S ATOM 605 CE MET A 187 2.567 10.138 -3.577 1.00 0.00 C ATOM 0 H MET A 187 -1.361 11.012 -1.901 1.00 0.00 H new ATOM 0 HA MET A 187 -1.426 13.459 -3.413 1.00 0.00 H new ATOM 0 HB2 MET A 187 -0.017 10.808 -3.879 1.00 0.00 H new ATOM 0 HB3 MET A 187 0.205 12.230 -4.880 1.00 0.00 H new ATOM 0 HG2 MET A 187 1.006 13.474 -2.848 1.00 0.00 H new ATOM 0 HG3 MET A 187 0.888 11.985 -1.932 1.00 0.00 H new ATOM 0 HE1 MET A 187 3.557 9.684 -3.532 1.00 0.00 H new ATOM 0 HE2 MET A 187 1.964 9.777 -2.744 1.00 0.00 H new ATOM 0 HE3 MET A 187 2.086 9.867 -4.517 1.00 0.00 H new ATOM 615 N ARG A 188 -3.127 10.873 -4.358 1.00 0.00 N ATOM 616 CA ARG A 188 -4.054 10.304 -5.320 1.00 0.00 C ATOM 617 C ARG A 188 -5.483 10.801 -5.092 1.00 0.00 C ATOM 618 O ARG A 188 -6.418 10.344 -5.750 1.00 0.00 O ATOM 619 CB ARG A 188 -4.008 8.778 -5.212 1.00 0.00 C ATOM 620 CG ARG A 188 -2.712 8.171 -5.716 1.00 0.00 C ATOM 621 CD ARG A 188 -2.909 7.449 -7.036 1.00 0.00 C ATOM 622 NE ARG A 188 -3.241 8.357 -8.134 1.00 0.00 N ATOM 623 CZ ARG A 188 -2.968 8.105 -9.413 1.00 0.00 C ATOM 624 NH1 ARG A 188 -2.313 7.000 -9.754 1.00 0.00 N ATOM 625 NH2 ARG A 188 -3.336 8.966 -10.353 1.00 0.00 N ATOM 0 H ARG A 188 -3.083 10.363 -3.476 1.00 0.00 H new ATOM 0 HA ARG A 188 -3.753 10.621 -6.319 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -4.152 8.492 -4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -4.840 8.357 -5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -1.965 8.956 -5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -2.323 7.474 -4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -2.000 6.902 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -3.705 6.712 -6.927 1.00 0.00 H new ATOM 0 HE ARG A 188 -3.709 9.234 -7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -2.017 6.340 -9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -2.106 6.812 -10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -3.828 9.822 -10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -3.127 8.772 -11.332 1.00 0.00 H new ATOM 639 N GLY A 189 -5.644 11.739 -4.162 1.00 0.00 N ATOM 640 CA GLY A 189 -6.968 12.253 -3.842 1.00 0.00 C ATOM 641 C GLY A 189 -7.820 11.221 -3.129 1.00 0.00 C ATOM 642 O GLY A 189 -9.031 11.133 -3.345 1.00 0.00 O ATOM 0 H GLY A 189 -4.883 12.153 -3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -6.871 13.139 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.468 12.565 -4.759 1.00 0.00 H new ATOM 646 N LEU A 190 -7.177 10.441 -2.279 1.00 0.00 N ATOM 647 CA LEU A 190 -7.818 9.349 -1.574 1.00 0.00 C ATOM 648 C LEU A 190 -7.488 9.422 -0.089 1.00 0.00 C ATOM 649 O LEU A 190 -6.585 10.154 0.315 1.00 0.00 O ATOM 650 CB LEU A 190 -7.325 8.023 -2.155 1.00 0.00 C ATOM 651 CG LEU A 190 -7.841 7.684 -3.554 1.00 0.00 C ATOM 652 CD1 LEU A 190 -6.902 6.721 -4.249 1.00 0.00 C ATOM 653 CD2 LEU A 190 -9.239 7.096 -3.478 1.00 0.00 C ATOM 0 H LEU A 190 -6.187 10.550 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 190 -8.899 9.421 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -6.236 8.042 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 190 -7.612 7.220 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 190 -7.884 8.605 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -7.286 6.492 -5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -5.915 7.175 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -6.828 5.802 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 190 -9.590 6.861 -4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 190 -9.219 6.186 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 190 -9.913 7.819 -3.018 1.00 0.00 H new ATOM 665 N ILE A 191 -8.222 8.673 0.719 1.00 0.00 N ATOM 666 CA ILE A 191 -7.959 8.622 2.150 1.00 0.00 C ATOM 667 C ILE A 191 -7.788 7.184 2.633 1.00 0.00 C ATOM 668 O ILE A 191 -8.557 6.298 2.264 1.00 0.00 O ATOM 669 CB ILE A 191 -9.077 9.300 2.974 1.00 0.00 C ATOM 670 CG1 ILE A 191 -10.445 8.696 2.638 1.00 0.00 C ATOM 671 CG2 ILE A 191 -9.074 10.799 2.719 1.00 0.00 C ATOM 672 CD1 ILE A 191 -11.560 9.168 3.544 1.00 0.00 C ATOM 0 H ILE A 191 -9.002 8.093 0.410 1.00 0.00 H new ATOM 0 HA ILE A 191 -7.030 9.171 2.306 1.00 0.00 H new ATOM 0 HB ILE A 191 -8.885 9.124 4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 191 -10.698 8.944 1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 191 -10.377 7.610 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 191 -9.865 11.269 3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 191 -8.110 11.216 3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 191 -9.245 10.988 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 191 -12.496 8.697 3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 191 -11.331 8.896 4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 191 -11.657 10.251 3.467 1.00 0.00 H new ATOM 684 N PRO A 192 -6.761 6.940 3.468 1.00 0.00 N ATOM 685 CA PRO A 192 -6.493 5.614 4.042 1.00 0.00 C ATOM 686 C PRO A 192 -7.561 5.202 5.052 1.00 0.00 C ATOM 687 O PRO A 192 -7.676 4.031 5.409 1.00 0.00 O ATOM 688 CB PRO A 192 -5.143 5.784 4.757 1.00 0.00 C ATOM 689 CG PRO A 192 -4.587 7.080 4.269 1.00 0.00 C ATOM 690 CD PRO A 192 -5.768 7.931 3.911 1.00 0.00 C ATOM 0 HA PRO A 192 -6.489 4.840 3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 192 -5.272 5.796 5.839 1.00 0.00 H new ATOM 0 HB3 PRO A 192 -4.471 4.958 4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 192 -3.981 7.558 5.038 1.00 0.00 H new ATOM 0 HG3 PRO A 192 -3.941 6.926 3.404 1.00 0.00 H new ATOM 0 HD2 PRO A 192 -6.125 8.508 4.764 1.00 0.00 H new ATOM 0 HD3 PRO A 192 -5.529 8.644 3.122 1.00 0.00 H new ATOM 698 N GLU A 193 -8.331 6.185 5.503 1.00 0.00 N ATOM 699 CA GLU A 193 -9.367 5.982 6.512 1.00 0.00 C ATOM 700 C GLU A 193 -10.408 4.963 6.050 1.00 0.00 C ATOM 701 O GLU A 193 -10.793 4.067 6.800 1.00 0.00 O ATOM 702 CB GLU A 193 -10.046 7.318 6.805 1.00 0.00 C ATOM 703 CG GLU A 193 -11.056 7.271 7.935 1.00 0.00 C ATOM 704 CD GLU A 193 -11.752 8.599 8.126 1.00 0.00 C ATOM 705 OE1 GLU A 193 -11.121 9.534 8.663 1.00 0.00 O ATOM 706 OE2 GLU A 193 -12.931 8.717 7.733 1.00 0.00 O ATOM 0 H GLU A 193 -8.255 7.149 5.179 1.00 0.00 H new ATOM 0 HA GLU A 193 -8.898 5.591 7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -9.281 8.055 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -10.546 7.664 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -11.797 6.499 7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -10.553 6.989 8.860 1.00 0.00 H new ATOM 713 N CYS A 194 -10.854 5.100 4.814 1.00 0.00 N ATOM 714 CA CYS A 194 -11.883 4.225 4.273 1.00 0.00 C ATOM 715 C CYS A 194 -11.256 3.232 3.301 1.00 0.00 C ATOM 716 O CYS A 194 -11.862 2.846 2.305 1.00 0.00 O ATOM 717 CB CYS A 194 -12.959 5.068 3.572 1.00 0.00 C ATOM 718 SG CYS A 194 -14.483 4.181 3.162 1.00 0.00 S ATOM 0 H CYS A 194 -10.520 5.811 4.163 1.00 0.00 H new ATOM 0 HA CYS A 194 -12.352 3.666 5.083 1.00 0.00 H new ATOM 0 HB2 CYS A 194 -13.210 5.914 4.212 1.00 0.00 H new ATOM 0 HB3 CYS A 194 -12.537 5.477 2.654 1.00 0.00 H new ATOM 0 HG CYS A 194 -14.468 3.009 3.724 1.00 0.00 H new ATOM 724 N CYS A 195 -10.037 2.817 3.606 1.00 0.00 N ATOM 725 CA CYS A 195 -9.289 1.935 2.725 1.00 0.00 C ATOM 726 C CYS A 195 -8.492 0.910 3.526 1.00 0.00 C ATOM 727 O CYS A 195 -8.290 1.077 4.732 1.00 0.00 O ATOM 728 CB CYS A 195 -8.346 2.761 1.852 1.00 0.00 C ATOM 729 SG CYS A 195 -9.183 3.878 0.698 1.00 0.00 S ATOM 0 H CYS A 195 -9.543 3.078 4.460 1.00 0.00 H new ATOM 0 HA CYS A 195 -9.996 1.398 2.093 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.693 3.348 2.498 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -7.708 2.083 1.285 1.00 0.00 H new ATOM 0 HG CYS A 195 -9.085 5.100 1.129 1.00 0.00 H new ATOM 735 N ALA A 196 -8.064 -0.161 2.862 1.00 0.00 N ATOM 736 CA ALA A 196 -7.200 -1.154 3.489 1.00 0.00 C ATOM 737 C ALA A 196 -6.183 -1.699 2.499 1.00 0.00 C ATOM 738 O ALA A 196 -6.418 -1.697 1.295 1.00 0.00 O ATOM 739 CB ALA A 196 -8.019 -2.288 4.083 1.00 0.00 C ATOM 0 H ALA A 196 -8.302 -0.362 1.891 1.00 0.00 H new ATOM 0 HA ALA A 196 -6.659 -0.659 4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -7.352 -3.016 4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -8.699 -1.890 4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -8.595 -2.773 3.295 1.00 0.00 H new ATOM 745 N VAL A 197 -5.062 -2.175 3.025 1.00 0.00 N ATOM 746 CA VAL A 197 -3.955 -2.648 2.202 1.00 0.00 C ATOM 747 C VAL A 197 -3.880 -4.173 2.224 1.00 0.00 C ATOM 748 O VAL A 197 -4.070 -4.795 3.266 1.00 0.00 O ATOM 749 CB VAL A 197 -2.611 -2.077 2.708 1.00 0.00 C ATOM 750 CG1 VAL A 197 -1.493 -2.335 1.711 1.00 0.00 C ATOM 751 CG2 VAL A 197 -2.735 -0.595 3.014 1.00 0.00 C ATOM 0 H VAL A 197 -4.894 -2.244 4.029 1.00 0.00 H new ATOM 0 HA VAL A 197 -4.135 -2.305 1.183 1.00 0.00 H new ATOM 0 HB VAL A 197 -2.356 -2.594 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 197 -0.560 -1.922 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 197 -1.380 -3.409 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 197 -1.736 -1.860 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 197 -1.777 -0.215 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 197 -3.025 -0.060 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 197 -3.492 -0.444 3.784 1.00 0.00 H new ATOM 761 N TYR A 198 -3.634 -4.767 1.066 1.00 0.00 N ATOM 762 CA TYR A 198 -3.400 -6.202 0.954 1.00 0.00 C ATOM 763 C TYR A 198 -2.124 -6.450 0.165 1.00 0.00 C ATOM 764 O TYR A 198 -1.765 -5.651 -0.695 1.00 0.00 O ATOM 765 CB TYR A 198 -4.540 -6.908 0.209 1.00 0.00 C ATOM 766 CG TYR A 198 -5.908 -6.805 0.840 1.00 0.00 C ATOM 767 CD1 TYR A 198 -6.497 -7.922 1.405 1.00 0.00 C ATOM 768 CD2 TYR A 198 -6.621 -5.613 0.844 1.00 0.00 C ATOM 769 CE1 TYR A 198 -7.753 -7.863 1.960 1.00 0.00 C ATOM 770 CE2 TYR A 198 -7.881 -5.540 1.406 1.00 0.00 C ATOM 771 CZ TYR A 198 -8.445 -6.670 1.961 1.00 0.00 C ATOM 772 OH TYR A 198 -9.705 -6.607 2.509 1.00 0.00 O ATOM 0 H TYR A 198 -3.591 -4.269 0.177 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.330 -6.596 1.968 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -4.596 -6.499 -0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -4.285 -7.963 0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.959 -8.859 1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -6.184 -4.730 0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -8.196 -8.747 2.394 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -8.421 -4.605 1.411 1.00 0.00 H new ATOM 0 HH TYR A 198 -10.051 -5.694 2.429 1.00 0.00 H new ATOM 782 N ARG A 199 -1.441 -7.544 0.451 1.00 0.00 N ATOM 783 CA ARG A 199 -0.386 -8.019 -0.426 1.00 0.00 C ATOM 784 C ARG A 199 -0.816 -9.355 -1.014 1.00 0.00 C ATOM 785 O ARG A 199 -1.041 -10.324 -0.288 1.00 0.00 O ATOM 786 CB ARG A 199 0.966 -8.135 0.304 1.00 0.00 C ATOM 787 CG ARG A 199 1.005 -9.145 1.437 1.00 0.00 C ATOM 788 CD ARG A 199 2.316 -9.059 2.205 1.00 0.00 C ATOM 789 NE ARG A 199 3.444 -9.614 1.462 1.00 0.00 N ATOM 790 CZ ARG A 199 4.212 -10.609 1.902 1.00 0.00 C ATOM 791 NH1 ARG A 199 3.950 -11.202 3.061 1.00 0.00 N ATOM 792 NH2 ARG A 199 5.244 -11.007 1.175 1.00 0.00 N ATOM 0 H ARG A 199 -1.597 -8.118 1.280 1.00 0.00 H new ATOM 0 HA ARG A 199 -0.233 -7.295 -1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 199 1.732 -8.400 -0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 199 1.231 -7.156 0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 199 0.171 -8.967 2.115 1.00 0.00 H new ATOM 0 HG3 ARG A 199 0.881 -10.151 1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 199 2.523 -8.016 2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 199 2.213 -9.590 3.151 1.00 0.00 H new ATOM 0 HE ARG A 199 3.657 -9.214 0.548 1.00 0.00 H new ATOM 0 HH11 ARG A 199 3.155 -10.896 3.622 1.00 0.00 H new ATOM 0 HH12 ARG A 199 4.544 -11.963 3.390 1.00 0.00 H new ATOM 0 HH21 ARG A 199 5.446 -10.552 0.285 1.00 0.00 H new ATOM 0 HH22 ARG A 199 5.837 -11.768 1.505 1.00 0.00 H new ATOM 876 N LYS A 205 -5.081 -12.869 -1.200 1.00 0.00 N ATOM 877 CA LYS A 205 -4.788 -11.585 -0.606 1.00 0.00 C ATOM 878 C LYS A 205 -4.384 -11.746 0.849 1.00 0.00 C ATOM 879 O LYS A 205 -5.028 -12.476 1.602 1.00 0.00 O ATOM 880 CB LYS A 205 -6.007 -10.675 -0.691 1.00 0.00 C ATOM 881 CG LYS A 205 -6.552 -10.499 -2.087 1.00 0.00 C ATOM 882 CD LYS A 205 -7.835 -9.711 -2.091 1.00 0.00 C ATOM 883 CE LYS A 205 -8.934 -10.487 -1.418 1.00 0.00 C ATOM 884 NZ LYS A 205 -10.244 -9.796 -1.496 1.00 0.00 N ATOM 0 HA LYS A 205 -3.961 -11.139 -1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 205 -6.794 -11.080 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 205 -5.744 -9.696 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 205 -5.812 -9.991 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 205 -6.725 -11.477 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 205 -7.686 -8.761 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 205 -8.122 -9.478 -3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 205 -9.017 -11.470 -1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 205 -8.673 -10.648 -0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 205 -10.968 -10.370 -1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 205 -10.175 -8.868 -1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 205 -10.508 -9.665 -2.493 1.00 0.00 H new ATOM 898 N LYS A 206 -3.309 -11.083 1.236 1.00 0.00 N ATOM 899 CA LYS A 206 -2.900 -11.037 2.623 1.00 0.00 C ATOM 900 C LYS A 206 -3.084 -9.618 3.141 1.00 0.00 C ATOM 901 O LYS A 206 -2.301 -8.733 2.802 1.00 0.00 O ATOM 902 CB LYS A 206 -1.436 -11.442 2.764 1.00 0.00 C ATOM 903 CG LYS A 206 -1.104 -12.838 2.263 1.00 0.00 C ATOM 904 CD LYS A 206 -1.850 -13.923 3.022 1.00 0.00 C ATOM 905 CE LYS A 206 -1.260 -15.295 2.732 1.00 0.00 C ATOM 906 NZ LYS A 206 -2.096 -16.396 3.276 1.00 0.00 N ATOM 0 H LYS A 206 -2.701 -10.566 0.601 1.00 0.00 H new ATOM 0 HA LYS A 206 -3.509 -11.733 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 206 -0.822 -10.722 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 206 -1.155 -11.373 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 206 -1.348 -12.907 1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 206 -0.031 -13.008 2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 206 -1.802 -13.722 4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 206 -2.903 -13.909 2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 206 -1.153 -15.421 1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 206 -0.260 -15.356 3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 206 -1.653 -17.310 3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 206 -2.178 -16.293 4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 206 -3.043 -16.357 2.848 1.00 0.00 H new ATOM 920 N PRO A 207 -4.133 -9.369 3.935 1.00 0.00 N ATOM 921 CA PRO A 207 -4.414 -8.035 4.466 1.00 0.00 C ATOM 922 C PRO A 207 -3.285 -7.518 5.346 1.00 0.00 C ATOM 923 O PRO A 207 -2.781 -8.228 6.220 1.00 0.00 O ATOM 924 CB PRO A 207 -5.691 -8.218 5.285 1.00 0.00 C ATOM 925 CG PRO A 207 -6.287 -9.489 4.789 1.00 0.00 C ATOM 926 CD PRO A 207 -5.132 -10.353 4.374 1.00 0.00 C ATOM 0 HA PRO A 207 -4.518 -7.300 3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -5.472 -8.274 6.351 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -6.374 -7.380 5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -6.877 -9.973 5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -6.957 -9.304 3.950 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -4.765 -10.962 5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.406 -11.037 3.571 1.00 0.00 H new ATOM 934 N ILE A 208 -2.892 -6.284 5.096 1.00 0.00 N ATOM 935 CA ILE A 208 -1.804 -5.647 5.814 1.00 0.00 C ATOM 936 C ILE A 208 -2.350 -4.788 6.945 1.00 0.00 C ATOM 937 O ILE A 208 -3.512 -4.377 6.924 1.00 0.00 O ATOM 938 CB ILE A 208 -0.982 -4.740 4.871 1.00 0.00 C ATOM 939 CG1 ILE A 208 -0.682 -5.452 3.555 1.00 0.00 C ATOM 940 CG2 ILE A 208 0.313 -4.289 5.528 1.00 0.00 C ATOM 941 CD1 ILE A 208 0.105 -6.729 3.708 1.00 0.00 C ATOM 0 H ILE A 208 -3.321 -5.691 4.385 1.00 0.00 H new ATOM 0 HA ILE A 208 -1.166 -6.435 6.214 1.00 0.00 H new ATOM 0 HB ILE A 208 -1.585 -3.856 4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 208 -1.623 -5.677 3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 208 -0.129 -4.773 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 208 0.868 -3.653 4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 208 0.085 -3.729 6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 208 0.915 -5.161 5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 208 0.275 -7.171 2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 208 1.064 -6.511 4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 208 -0.454 -7.429 4.329 1.00 0.00 H new ATOM 953 N GLY A 209 -1.508 -4.524 7.925 1.00 0.00 N ATOM 954 CA GLY A 209 -1.854 -3.599 8.973 1.00 0.00 C ATOM 955 C GLY A 209 -1.304 -2.226 8.667 1.00 0.00 C ATOM 956 O GLY A 209 -0.202 -2.104 8.139 1.00 0.00 O ATOM 0 H GLY A 209 -0.581 -4.940 8.013 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -2.938 -3.548 9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -1.457 -3.953 9.925 1.00 0.00 H new ATOM 960 N TRP A 210 -2.054 -1.189 8.985 1.00 0.00 N ATOM 961 CA TRP A 210 -1.608 0.164 8.691 1.00 0.00 C ATOM 962 C TRP A 210 -0.436 0.564 9.589 1.00 0.00 C ATOM 963 O TRP A 210 0.352 1.437 9.240 1.00 0.00 O ATOM 964 CB TRP A 210 -2.766 1.152 8.820 1.00 0.00 C ATOM 965 CG TRP A 210 -3.792 1.003 7.739 1.00 0.00 C ATOM 966 CD1 TRP A 210 -4.946 0.279 7.796 1.00 0.00 C ATOM 967 CD2 TRP A 210 -3.753 1.593 6.436 1.00 0.00 C ATOM 968 NE1 TRP A 210 -5.626 0.386 6.608 1.00 0.00 N ATOM 969 CE2 TRP A 210 -4.915 1.190 5.757 1.00 0.00 C ATOM 970 CE3 TRP A 210 -2.850 2.425 5.782 1.00 0.00 C ATOM 971 CZ2 TRP A 210 -5.194 1.594 4.453 1.00 0.00 C ATOM 972 CZ3 TRP A 210 -3.126 2.825 4.489 1.00 0.00 C ATOM 973 CH2 TRP A 210 -4.290 2.411 3.837 1.00 0.00 C ATOM 0 H TRP A 210 -2.964 -1.252 9.441 1.00 0.00 H new ATOM 0 HA TRP A 210 -1.256 0.190 7.660 1.00 0.00 H new ATOM 0 HB2 TRP A 210 -3.246 1.015 9.789 1.00 0.00 H new ATOM 0 HB3 TRP A 210 -2.372 2.168 8.801 1.00 0.00 H new ATOM 0 HD1 TRP A 210 -5.276 -0.294 8.650 1.00 0.00 H new ATOM 0 HE1 TRP A 210 -6.517 -0.061 6.394 1.00 0.00 H new ATOM 0 HE3 TRP A 210 -1.948 2.753 6.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 210 -6.093 1.273 3.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 210 -2.430 3.469 3.973 1.00 0.00 H new ATOM 0 HH2 TRP A 210 -4.478 2.743 2.827 1.00 0.00 H new ATOM 984 N ASP A 211 -0.304 -0.095 10.732 1.00 0.00 N ATOM 985 CA ASP A 211 0.830 0.152 11.620 1.00 0.00 C ATOM 986 C ASP A 211 1.957 -0.834 11.346 1.00 0.00 C ATOM 987 O ASP A 211 2.925 -0.915 12.104 1.00 0.00 O ATOM 988 CB ASP A 211 0.420 0.074 13.089 1.00 0.00 C ATOM 989 CG ASP A 211 -0.192 -1.262 13.456 1.00 0.00 C ATOM 990 OD1 ASP A 211 0.544 -2.159 13.914 1.00 0.00 O ATOM 991 OD2 ASP A 211 -1.421 -1.421 13.286 1.00 0.00 O ATOM 0 H ASP A 211 -0.961 -0.800 11.067 1.00 0.00 H new ATOM 0 HA ASP A 211 1.184 1.163 11.417 1.00 0.00 H new ATOM 0 HB2 ASP A 211 1.294 0.253 13.716 1.00 0.00 H new ATOM 0 HB3 ASP A 211 -0.295 0.868 13.305 1.00 0.00 H new ATOM 996 N THR A 212 1.825 -1.583 10.265 1.00 0.00 N ATOM 997 CA THR A 212 2.892 -2.449 9.805 1.00 0.00 C ATOM 998 C THR A 212 3.946 -1.607 9.092 1.00 0.00 C ATOM 999 O THR A 212 3.628 -0.554 8.540 1.00 0.00 O ATOM 1000 CB THR A 212 2.342 -3.528 8.847 1.00 0.00 C ATOM 1001 OG1 THR A 212 1.315 -4.281 9.505 1.00 0.00 O ATOM 1002 CG2 THR A 212 3.439 -4.472 8.376 1.00 0.00 C ATOM 0 H THR A 212 0.984 -1.607 9.688 1.00 0.00 H new ATOM 0 HA THR A 212 3.339 -2.951 10.663 1.00 0.00 H new ATOM 0 HB THR A 212 1.933 -3.021 7.973 1.00 0.00 H new ATOM 0 HG1 THR A 212 1.191 -5.137 9.044 1.00 0.00 H new ATOM 0 HG21 THR A 212 3.014 -5.217 7.704 1.00 0.00 H new ATOM 0 HG22 THR A 212 4.206 -3.904 7.850 1.00 0.00 H new ATOM 0 HG23 THR A 212 3.884 -4.971 9.237 1.00 0.00 H new ATOM 1010 N ASP A 213 5.193 -2.042 9.136 1.00 0.00 N ATOM 1011 CA ASP A 213 6.263 -1.345 8.437 1.00 0.00 C ATOM 1012 C ASP A 213 6.241 -1.722 6.969 1.00 0.00 C ATOM 1013 O ASP A 213 6.286 -2.896 6.601 1.00 0.00 O ATOM 1014 CB ASP A 213 7.623 -1.696 9.050 1.00 0.00 C ATOM 1015 CG ASP A 213 8.743 -0.763 8.612 1.00 0.00 C ATOM 1016 OD1 ASP A 213 8.848 -0.460 7.409 1.00 0.00 O ATOM 1017 OD2 ASP A 213 9.545 -0.354 9.480 1.00 0.00 O ATOM 0 H ASP A 213 5.491 -2.873 9.647 1.00 0.00 H new ATOM 0 HA ASP A 213 6.108 -0.271 8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 213 7.541 -1.668 10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 213 7.884 -2.718 8.776 1.00 0.00 H new ATOM 1022 N ILE A 214 6.153 -0.695 6.155 1.00 0.00 N ATOM 1023 CA ILE A 214 6.157 -0.796 4.702 1.00 0.00 C ATOM 1024 C ILE A 214 7.368 -1.579 4.191 1.00 0.00 C ATOM 1025 O ILE A 214 7.308 -2.229 3.151 1.00 0.00 O ATOM 1026 CB ILE A 214 6.193 0.624 4.133 1.00 0.00 C ATOM 1027 CG1 ILE A 214 6.376 0.639 2.617 1.00 0.00 C ATOM 1028 CG2 ILE A 214 7.324 1.369 4.800 1.00 0.00 C ATOM 1029 CD1 ILE A 214 6.299 2.021 2.009 1.00 0.00 C ATOM 0 H ILE A 214 6.074 0.265 6.490 1.00 0.00 H new ATOM 0 HA ILE A 214 5.263 -1.330 4.381 1.00 0.00 H new ATOM 0 HB ILE A 214 5.236 1.105 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 214 7.342 0.197 2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 214 5.613 0.008 2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 214 7.370 2.386 4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 214 7.154 1.400 5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 214 8.266 0.859 4.596 1.00 0.00 H new ATOM 0 HD11 ILE A 214 6.438 1.952 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 214 5.324 2.458 2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 214 7.080 2.650 2.436 1.00 0.00 H new ATOM 1041 N SER A 215 8.466 -1.501 4.932 1.00 0.00 N ATOM 1042 CA SER A 215 9.697 -2.198 4.577 1.00 0.00 C ATOM 1043 C SER A 215 9.513 -3.718 4.577 1.00 0.00 C ATOM 1044 O SER A 215 10.324 -4.448 4.004 1.00 0.00 O ATOM 1045 CB SER A 215 10.810 -1.796 5.541 1.00 0.00 C ATOM 1046 OG SER A 215 10.869 -0.390 5.650 1.00 0.00 O ATOM 0 H SER A 215 8.529 -0.956 5.792 1.00 0.00 H new ATOM 0 HA SER A 215 9.969 -1.906 3.563 1.00 0.00 H new ATOM 0 HB2 SER A 215 10.631 -2.238 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 215 11.766 -2.182 5.187 1.00 0.00 H new ATOM 0 HG SER A 215 10.175 -0.080 6.269 1.00 0.00 H new ATOM 1052 N TRP A 216 8.443 -4.193 5.205 1.00 0.00 N ATOM 1053 CA TRP A 216 8.118 -5.616 5.190 1.00 0.00 C ATOM 1054 C TRP A 216 7.450 -5.976 3.866 1.00 0.00 C ATOM 1055 O TRP A 216 7.311 -7.148 3.520 1.00 0.00 O ATOM 1056 CB TRP A 216 7.177 -5.976 6.349 1.00 0.00 C ATOM 1057 CG TRP A 216 7.734 -5.698 7.717 1.00 0.00 C ATOM 1058 CD1 TRP A 216 8.878 -5.021 8.027 1.00 0.00 C ATOM 1059 CD2 TRP A 216 7.152 -6.090 8.965 1.00 0.00 C ATOM 1060 NE1 TRP A 216 9.044 -4.974 9.388 1.00 0.00 N ATOM 1061 CE2 TRP A 216 7.997 -5.620 9.985 1.00 0.00 C ATOM 1062 CE3 TRP A 216 5.998 -6.793 9.316 1.00 0.00 C ATOM 1063 CZ2 TRP A 216 7.726 -5.830 11.333 1.00 0.00 C ATOM 1064 CZ3 TRP A 216 5.728 -7.000 10.655 1.00 0.00 C ATOM 1065 CH2 TRP A 216 6.588 -6.520 11.648 1.00 0.00 C ATOM 0 H TRP A 216 7.787 -3.615 5.730 1.00 0.00 H new ATOM 0 HA TRP A 216 9.044 -6.180 5.305 1.00 0.00 H new ATOM 0 HB2 TRP A 216 6.247 -5.421 6.230 1.00 0.00 H new ATOM 0 HB3 TRP A 216 6.927 -7.035 6.281 1.00 0.00 H new ATOM 0 HD1 TRP A 216 9.554 -4.586 7.306 1.00 0.00 H new ATOM 0 HE1 TRP A 216 9.822 -4.529 9.875 1.00 0.00 H new ATOM 0 HE3 TRP A 216 5.329 -7.168 8.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 8.389 -5.462 12.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 4.838 -7.542 10.940 1.00 0.00 H new ATOM 0 HH2 TRP A 216 6.348 -6.698 12.686 1.00 0.00 H new ATOM 1076 N LEU A 217 7.044 -4.940 3.141 1.00 0.00 N ATOM 1077 CA LEU A 217 6.327 -5.082 1.882 1.00 0.00 C ATOM 1078 C LEU A 217 7.147 -4.469 0.746 1.00 0.00 C ATOM 1079 O LEU A 217 6.627 -4.191 -0.334 1.00 0.00 O ATOM 1080 CB LEU A 217 4.977 -4.366 2.003 1.00 0.00 C ATOM 1081 CG LEU A 217 4.239 -4.620 3.318 1.00 0.00 C ATOM 1082 CD1 LEU A 217 3.119 -3.615 3.504 1.00 0.00 C ATOM 1083 CD2 LEU A 217 3.688 -6.034 3.358 1.00 0.00 C ATOM 0 H LEU A 217 7.205 -3.970 3.414 1.00 0.00 H new ATOM 0 HA LEU A 217 6.165 -6.137 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 217 5.138 -3.294 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 217 4.339 -4.679 1.177 1.00 0.00 H new ATOM 0 HG LEU A 217 4.951 -4.502 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.606 -3.812 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 217 3.534 -2.607 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 217 2.411 -3.702 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.167 -6.195 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.993 -6.177 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 217 4.508 -6.747 3.271 1.00 0.00 H new ATOM 1095 N THR A 218 8.433 -4.255 1.020 1.00 0.00 N ATOM 1096 CA THR A 218 9.352 -3.617 0.084 1.00 0.00 C ATOM 1097 C THR A 218 9.315 -4.243 -1.298 1.00 0.00 C ATOM 1098 O THR A 218 9.587 -5.434 -1.482 1.00 0.00 O ATOM 1099 CB THR A 218 10.804 -3.661 0.606 1.00 0.00 C ATOM 1100 OG1 THR A 218 10.910 -2.966 1.852 1.00 0.00 O ATOM 1101 CG2 THR A 218 11.767 -3.053 -0.404 1.00 0.00 C ATOM 0 H THR A 218 8.867 -4.522 1.904 1.00 0.00 H new ATOM 0 HA THR A 218 9.015 -2.584 0.003 1.00 0.00 H new ATOM 0 HB THR A 218 11.072 -4.707 0.756 1.00 0.00 H new ATOM 0 HG1 THR A 218 10.997 -3.614 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 218 12.783 -3.097 -0.011 1.00 0.00 H new ATOM 0 HG22 THR A 218 11.715 -3.612 -1.338 1.00 0.00 H new ATOM 0 HG23 THR A 218 11.494 -2.014 -0.587 1.00 0.00 H new ATOM 1109 N GLY A 219 8.959 -3.414 -2.257 1.00 0.00 N ATOM 1110 CA GLY A 219 9.054 -3.771 -3.644 1.00 0.00 C ATOM 1111 C GLY A 219 7.968 -4.717 -4.098 1.00 0.00 C ATOM 1112 O GLY A 219 8.015 -5.235 -5.211 1.00 0.00 O ATOM 0 H GLY A 219 8.597 -2.475 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 219 9.011 -2.865 -4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 219 10.025 -4.231 -3.827 1.00 0.00 H new ATOM 1116 N GLU A 220 6.993 -4.947 -3.240 1.00 0.00 N ATOM 1117 CA GLU A 220 5.886 -5.822 -3.566 1.00 0.00 C ATOM 1118 C GLU A 220 4.734 -5.024 -4.145 1.00 0.00 C ATOM 1119 O GLU A 220 4.710 -3.798 -4.054 1.00 0.00 O ATOM 1120 CB GLU A 220 5.430 -6.574 -2.323 1.00 0.00 C ATOM 1121 CG GLU A 220 6.437 -7.609 -1.855 1.00 0.00 C ATOM 1122 CD GLU A 220 5.956 -8.387 -0.656 1.00 0.00 C ATOM 1123 OE1 GLU A 220 6.527 -8.213 0.438 1.00 0.00 O ATOM 1124 OE2 GLU A 220 5.001 -9.180 -0.804 1.00 0.00 O ATOM 0 H GLU A 220 6.946 -4.537 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 220 6.220 -6.543 -4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 220 5.250 -5.861 -1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 220 4.480 -7.067 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 220 6.648 -8.300 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 220 7.375 -7.112 -1.608 1.00 0.00 H new ATOM 1131 N GLU A 221 3.802 -5.717 -4.763 1.00 0.00 N ATOM 1132 CA GLU A 221 2.617 -5.079 -5.285 1.00 0.00 C ATOM 1133 C GLU A 221 1.488 -5.213 -4.276 1.00 0.00 C ATOM 1134 O GLU A 221 0.979 -6.312 -4.039 1.00 0.00 O ATOM 1135 CB GLU A 221 2.205 -5.702 -6.620 1.00 0.00 C ATOM 1136 CG GLU A 221 3.141 -5.386 -7.778 1.00 0.00 C ATOM 1137 CD GLU A 221 4.537 -5.940 -7.594 1.00 0.00 C ATOM 1138 OE1 GLU A 221 5.488 -5.141 -7.480 1.00 0.00 O ATOM 1139 OE2 GLU A 221 4.692 -7.180 -7.576 1.00 0.00 O ATOM 0 H GLU A 221 3.844 -6.725 -4.916 1.00 0.00 H new ATOM 0 HA GLU A 221 2.832 -4.024 -5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 221 2.148 -6.784 -6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 221 1.203 -5.356 -6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 221 2.717 -5.789 -8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 221 3.201 -4.305 -7.902 1.00 0.00 H new ATOM 1146 N LEU A 222 1.104 -4.101 -3.683 1.00 0.00 N ATOM 1147 CA LEU A 222 0.044 -4.092 -2.695 1.00 0.00 C ATOM 1148 C LEU A 222 -1.243 -3.613 -3.340 1.00 0.00 C ATOM 1149 O LEU A 222 -1.227 -3.102 -4.451 1.00 0.00 O ATOM 1150 CB LEU A 222 0.419 -3.207 -1.503 1.00 0.00 C ATOM 1151 CG LEU A 222 1.817 -3.446 -0.928 1.00 0.00 C ATOM 1152 CD1 LEU A 222 2.065 -2.549 0.274 1.00 0.00 C ATOM 1153 CD2 LEU A 222 1.985 -4.904 -0.539 1.00 0.00 C ATOM 0 H LEU A 222 1.513 -3.186 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 222 -0.102 -5.105 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 222 0.343 -2.163 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 222 -0.314 -3.362 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 222 2.550 -3.201 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 222 3.064 -2.735 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 222 1.983 -1.505 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 222 1.326 -2.763 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 222 2.984 -5.059 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 222 1.241 -5.168 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 222 1.850 -5.533 -1.419 1.00 0.00 H new ATOM 1165 N HIS A 223 -2.356 -3.815 -2.666 1.00 0.00 N ATOM 1166 CA HIS A 223 -3.654 -3.418 -3.193 1.00 0.00 C ATOM 1167 C HIS A 223 -4.477 -2.759 -2.100 1.00 0.00 C ATOM 1168 O HIS A 223 -4.667 -3.333 -1.033 1.00 0.00 O ATOM 1169 CB HIS A 223 -4.411 -4.633 -3.744 1.00 0.00 C ATOM 1170 CG HIS A 223 -3.769 -5.264 -4.943 1.00 0.00 C ATOM 1171 ND1 HIS A 223 -4.260 -5.130 -6.224 1.00 0.00 N ATOM 1172 CD2 HIS A 223 -2.667 -6.049 -5.047 1.00 0.00 C ATOM 1173 CE1 HIS A 223 -3.491 -5.804 -7.061 1.00 0.00 C ATOM 1174 NE2 HIS A 223 -2.520 -6.368 -6.373 1.00 0.00 N ATOM 0 H HIS A 223 -2.392 -4.254 -1.746 1.00 0.00 H new ATOM 0 HA HIS A 223 -3.492 -2.709 -4.005 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.498 -5.381 -2.956 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -5.424 -4.328 -4.006 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -2.026 -6.364 -4.237 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -3.635 -5.880 -8.129 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -1.778 -6.949 -6.763 1.00 0.00 H new ATOM 1183 N VAL A 224 -4.939 -1.553 -2.360 1.00 0.00 N ATOM 1184 CA VAL A 224 -5.783 -0.841 -1.421 1.00 0.00 C ATOM 1185 C VAL A 224 -7.234 -0.879 -1.882 1.00 0.00 C ATOM 1186 O VAL A 224 -7.553 -0.493 -3.008 1.00 0.00 O ATOM 1187 CB VAL A 224 -5.326 0.621 -1.226 1.00 0.00 C ATOM 1188 CG1 VAL A 224 -6.384 1.428 -0.498 1.00 0.00 C ATOM 1189 CG2 VAL A 224 -4.035 0.665 -0.438 1.00 0.00 C ATOM 0 H VAL A 224 -4.742 -1.042 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 224 -5.696 -1.344 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 224 -5.168 1.056 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 224 -6.037 2.454 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 224 -7.307 1.425 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 224 -6.569 0.986 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 224 -3.724 1.701 -0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 224 -4.189 0.207 0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 224 -3.261 0.119 -0.977 1.00 0.00 H new ATOM 1199 N GLU A 225 -8.094 -1.362 -1.005 1.00 0.00 N ATOM 1200 CA GLU A 225 -9.512 -1.488 -1.298 1.00 0.00 C ATOM 1201 C GLU A 225 -10.320 -0.500 -0.473 1.00 0.00 C ATOM 1202 O GLU A 225 -9.884 -0.079 0.598 1.00 0.00 O ATOM 1203 CB GLU A 225 -9.979 -2.905 -0.996 1.00 0.00 C ATOM 1204 CG GLU A 225 -9.400 -3.949 -1.934 1.00 0.00 C ATOM 1205 CD GLU A 225 -9.796 -3.710 -3.376 1.00 0.00 C ATOM 1206 OE1 GLU A 225 -11.011 -3.708 -3.670 1.00 0.00 O ATOM 1207 OE2 GLU A 225 -8.895 -3.540 -4.229 1.00 0.00 O ATOM 0 H GLU A 225 -7.832 -1.678 -0.071 1.00 0.00 H new ATOM 0 HA GLU A 225 -9.666 -1.270 -2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 225 -9.706 -3.158 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 225 -11.067 -2.940 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 225 -8.313 -3.944 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 225 -9.738 -4.938 -1.626 1.00 0.00 H new ATOM 1214 N VAL A 226 -11.494 -0.143 -0.974 1.00 0.00 N ATOM 1215 CA VAL A 226 -12.380 0.771 -0.269 1.00 0.00 C ATOM 1216 C VAL A 226 -13.209 0.020 0.766 1.00 0.00 C ATOM 1217 O VAL A 226 -13.827 -1.003 0.462 1.00 0.00 O ATOM 1218 CB VAL A 226 -13.334 1.504 -1.231 1.00 0.00 C ATOM 1219 CG1 VAL A 226 -14.171 2.521 -0.473 1.00 0.00 C ATOM 1220 CG2 VAL A 226 -12.556 2.187 -2.338 1.00 0.00 C ATOM 0 H VAL A 226 -11.855 -0.474 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 226 -11.746 1.509 0.223 1.00 0.00 H new ATOM 0 HB VAL A 226 -14.000 0.767 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 226 -14.840 3.031 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 226 -14.759 2.012 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 226 -13.515 3.251 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 226 -13.248 2.699 -3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 226 -11.867 2.912 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 226 -11.993 1.442 -2.900 1.00 0.00 H new ATOM 1230 N LEU A 227 -13.205 0.524 1.987 1.00 0.00 N ATOM 1231 CA LEU A 227 -14.012 -0.041 3.057 1.00 0.00 C ATOM 1232 C LEU A 227 -15.411 0.548 3.023 1.00 0.00 C ATOM 1233 O LEU A 227 -15.725 1.476 3.769 1.00 0.00 O ATOM 1234 CB LEU A 227 -13.368 0.236 4.420 1.00 0.00 C ATOM 1235 CG LEU A 227 -12.379 -0.818 4.918 1.00 0.00 C ATOM 1236 CD1 LEU A 227 -11.315 -1.108 3.877 1.00 0.00 C ATOM 1237 CD2 LEU A 227 -11.744 -0.357 6.218 1.00 0.00 C ATOM 0 H LEU A 227 -12.647 1.331 2.265 1.00 0.00 H new ATOM 0 HA LEU A 227 -14.072 -1.119 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -12.852 1.195 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -14.161 0.341 5.160 1.00 0.00 H new ATOM 0 HG LEU A 227 -12.925 -1.744 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -10.627 -1.861 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -11.788 -1.478 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -10.765 -0.194 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -11.040 -1.113 6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -11.216 0.582 6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -12.520 -0.209 6.969 1.00 0.00 H new