USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -0.0298 X(o=-0.03,f=-0.37) USER MOD Single : A 167 THR OG1 : rot 160:sc= 0 USER MOD Single : A 173 CYS SG : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot -71:sc= 1.08 USER MOD Single : A 180 SER OG : rot 4:sc= 0.0485 USER MOD Single : A 182 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00257) USER MOD Single : A 183 LYS NZ :NH3+ -173:sc=-0.00515 (180deg=-0.09) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 187 MET CE :methyl -160:sc= -0.102 (180deg=-0.599) USER MOD Single : A 194 CYS SG : rot -30:sc= 0.215 USER MOD Single : A 195 CYS SG : rot 81:sc= -1.77! USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN : amide:sc= -0.021 K(o=-0.021,f=-0.97) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 LYS NZ :NH3+ -124:sc= -0.0222 (180deg=-0.172) USER MOD Single : A 212 THR OG1 : rot 180:sc= 0 USER MOD Single : A 215 SER OG : rot 180:sc= 0 USER MOD Single : A 218 THR OG1 : rot 86:sc= 1.18 USER MOD Single : A 223 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 7.095 14.787 -7.444 1.00 23.31 N ATOM 115 CA LYS A 154 7.511 13.377 -7.382 1.00 21.23 C ATOM 116 C LYS A 154 6.300 12.430 -7.466 1.00 73.41 C ATOM 117 O LYS A 154 5.217 12.748 -6.964 1.00 51.42 O ATOM 118 CB LYS A 154 8.320 13.088 -6.097 1.00 50.20 C ATOM 119 CG LYS A 154 7.565 13.309 -4.779 1.00 22.22 C ATOM 120 CD LYS A 154 7.475 14.787 -4.396 1.00 15.52 C ATOM 121 CE LYS A 154 6.820 14.985 -3.030 1.00 4.25 C ATOM 122 NZ LYS A 154 6.787 16.419 -2.631 1.00 2.23 N ATOM 0 HA LYS A 154 8.152 13.194 -8.244 1.00 21.23 H new ATOM 0 HB2 LYS A 154 8.664 12.054 -6.130 1.00 50.20 H new ATOM 0 HB3 LYS A 154 9.208 13.720 -6.097 1.00 50.20 H new ATOM 0 HG2 LYS A 154 6.559 12.898 -4.867 1.00 22.22 H new ATOM 0 HG3 LYS A 154 8.065 12.760 -3.981 1.00 22.22 H new ATOM 0 HD2 LYS A 154 8.475 15.220 -4.385 1.00 15.52 H new ATOM 0 HD3 LYS A 154 6.904 15.324 -5.153 1.00 15.52 H new ATOM 0 HE2 LYS A 154 5.804 14.592 -3.055 1.00 4.25 H new ATOM 0 HE3 LYS A 154 7.365 14.412 -2.280 1.00 4.25 H new ATOM 0 HZ1 LYS A 154 6.335 16.510 -1.699 1.00 2.23 H new ATOM 0 HZ2 LYS A 154 7.758 16.788 -2.582 1.00 2.23 H new ATOM 0 HZ3 LYS A 154 6.245 16.962 -3.333 1.00 2.23 H new ATOM 136 N PRO A 155 6.466 11.251 -8.103 1.00 74.34 N ATOM 137 CA PRO A 155 5.375 10.267 -8.256 1.00 42.45 C ATOM 138 C PRO A 155 4.865 9.728 -6.908 1.00 75.25 C ATOM 139 O PRO A 155 5.649 9.313 -6.051 1.00 34.31 O ATOM 140 CB PRO A 155 6.017 9.143 -9.086 1.00 4.34 C ATOM 141 CG PRO A 155 7.486 9.296 -8.872 1.00 15.42 C ATOM 142 CD PRO A 155 7.724 10.773 -8.713 1.00 13.12 C ATOM 0 HA PRO A 155 4.496 10.709 -8.725 1.00 42.45 H new ATOM 0 HB2 PRO A 155 5.670 8.163 -8.758 1.00 4.34 H new ATOM 0 HB3 PRO A 155 5.760 9.235 -10.141 1.00 4.34 H new ATOM 0 HG2 PRO A 155 7.811 8.750 -7.987 1.00 15.42 H new ATOM 0 HG3 PRO A 155 8.048 8.898 -9.717 1.00 15.42 H new ATOM 0 HD2 PRO A 155 8.584 10.976 -8.075 1.00 13.12 H new ATOM 0 HD3 PRO A 155 7.916 11.256 -9.671 1.00 13.12 H new ATOM 150 N ILE A 156 3.545 9.735 -6.728 1.00 4.12 N ATOM 151 CA ILE A 156 2.932 9.297 -5.469 1.00 64.31 C ATOM 152 C ILE A 156 1.904 8.173 -5.684 1.00 72.12 C ATOM 153 O ILE A 156 1.356 8.007 -6.779 1.00 53.02 O ATOM 154 CB ILE A 156 2.276 10.493 -4.716 1.00 71.35 C ATOM 155 CG1 ILE A 156 1.284 11.269 -5.614 1.00 4.22 C ATOM 156 CG2 ILE A 156 3.353 11.432 -4.176 1.00 71.11 C ATOM 157 CD1 ILE A 156 -0.102 10.655 -5.709 1.00 41.31 C ATOM 0 H ILE A 156 2.877 10.039 -7.437 1.00 4.12 H new ATOM 0 HA ILE A 156 3.736 8.895 -4.853 1.00 64.31 H new ATOM 0 HB ILE A 156 1.707 10.083 -3.882 1.00 71.35 H new ATOM 0 HG12 ILE A 156 1.190 12.286 -5.234 1.00 4.22 H new ATOM 0 HG13 ILE A 156 1.704 11.341 -6.617 1.00 4.22 H new ATOM 0 HG21 ILE A 156 2.881 12.263 -3.652 1.00 71.11 H new ATOM 0 HG22 ILE A 156 3.998 10.887 -3.486 1.00 71.11 H new ATOM 0 HG23 ILE A 156 3.949 11.816 -5.004 1.00 71.11 H new ATOM 0 HD11 ILE A 156 -0.727 11.267 -6.359 1.00 41.31 H new ATOM 0 HD12 ILE A 156 -0.027 9.649 -6.121 1.00 41.31 H new ATOM 0 HD13 ILE A 156 -0.548 10.608 -4.716 1.00 41.31 H new ATOM 169 N VAL A 157 1.660 7.398 -4.633 1.00 74.42 N ATOM 170 CA VAL A 157 0.686 6.304 -4.664 1.00 2.41 C ATOM 171 C VAL A 157 -0.384 6.499 -3.579 1.00 55.15 C ATOM 172 O VAL A 157 -0.064 6.765 -2.419 1.00 51.03 O ATOM 173 CB VAL A 157 1.374 4.928 -4.456 1.00 13.03 C ATOM 174 CG1 VAL A 157 0.358 3.790 -4.537 1.00 52.34 C ATOM 175 CG2 VAL A 157 2.494 4.725 -5.473 1.00 54.12 C ATOM 0 H VAL A 157 2.130 7.507 -3.734 1.00 74.42 H new ATOM 0 HA VAL A 157 0.216 6.319 -5.647 1.00 2.41 H new ATOM 0 HB VAL A 157 1.812 4.918 -3.458 1.00 13.03 H new ATOM 0 HG11 VAL A 157 0.866 2.837 -4.388 1.00 52.34 H new ATOM 0 HG12 VAL A 157 -0.399 3.922 -3.764 1.00 52.34 H new ATOM 0 HG13 VAL A 157 -0.119 3.797 -5.517 1.00 52.34 H new ATOM 0 HG21 VAL A 157 2.963 3.755 -5.309 1.00 54.12 H new ATOM 0 HG22 VAL A 157 2.081 4.763 -6.481 1.00 54.12 H new ATOM 0 HG23 VAL A 157 3.239 5.512 -5.356 1.00 54.12 H new ATOM 185 N ARG A 158 -1.652 6.373 -3.965 1.00 11.41 N ATOM 186 CA ARG A 158 -2.764 6.508 -3.018 1.00 33.33 C ATOM 187 C ARG A 158 -3.038 5.180 -2.304 1.00 75.11 C ATOM 188 O ARG A 158 -3.085 4.130 -2.936 1.00 10.42 O ATOM 189 CB ARG A 158 -4.035 6.960 -3.744 1.00 73.21 C ATOM 190 CG ARG A 158 -3.950 8.351 -4.362 1.00 71.31 C ATOM 191 CD ARG A 158 -5.223 8.674 -5.129 1.00 54.30 C ATOM 192 NE ARG A 158 -5.254 10.031 -5.662 1.00 72.34 N ATOM 193 CZ ARG A 158 -6.247 10.499 -6.371 1.00 14.32 C ATOM 194 NH1 ARG A 158 -7.270 9.750 -6.641 1.00 52.40 N ATOM 195 NH2 ARG A 158 -6.222 11.715 -6.806 1.00 34.25 N ATOM 0 H ARG A 158 -1.938 6.178 -4.925 1.00 11.41 H new ATOM 0 HA ARG A 158 -2.481 7.258 -2.279 1.00 33.33 H new ATOM 0 HB2 ARG A 158 -4.264 6.241 -4.530 1.00 73.21 H new ATOM 0 HB3 ARG A 158 -4.867 6.939 -3.040 1.00 73.21 H new ATOM 0 HG2 ARG A 158 -3.792 9.093 -3.580 1.00 71.31 H new ATOM 0 HG3 ARG A 158 -3.092 8.406 -5.032 1.00 71.31 H new ATOM 0 HD2 ARG A 158 -5.331 7.967 -5.951 1.00 54.30 H new ATOM 0 HD3 ARG A 158 -6.080 8.531 -4.471 1.00 54.30 H new ATOM 0 HE ARG A 158 -4.462 10.645 -5.472 1.00 72.34 H new ATOM 0 HH11 ARG A 158 -7.303 8.789 -6.300 1.00 52.40 H new ATOM 0 HH12 ARG A 158 -8.042 10.121 -7.195 1.00 52.40 H new ATOM 0 HH21 ARG A 158 -5.424 12.315 -6.597 1.00 34.25 H new ATOM 0 HH22 ARG A 158 -7.000 12.075 -7.359 1.00 34.25 H new ATOM 209 N VAL A 159 -3.226 5.230 -0.989 1.00 71.45 N ATOM 210 CA VAL A 159 -3.503 4.023 -0.201 1.00 14.24 C ATOM 211 C VAL A 159 -4.727 4.209 0.712 1.00 43.30 C ATOM 212 O VAL A 159 -4.752 5.095 1.574 1.00 35.42 O ATOM 213 CB VAL A 159 -2.275 3.620 0.659 1.00 75.25 C ATOM 214 CG1 VAL A 159 -2.562 2.358 1.475 1.00 24.00 C ATOM 215 CG2 VAL A 159 -1.041 3.425 -0.223 1.00 30.43 C ATOM 0 H VAL A 159 -3.193 6.090 -0.442 1.00 71.45 H new ATOM 0 HA VAL A 159 -3.718 3.226 -0.913 1.00 14.24 H new ATOM 0 HB VAL A 159 -2.074 4.431 1.359 1.00 75.25 H new ATOM 0 HG11 VAL A 159 -1.684 2.100 2.067 1.00 24.00 H new ATOM 0 HG12 VAL A 159 -3.407 2.538 2.139 1.00 24.00 H new ATOM 0 HG13 VAL A 159 -2.799 1.535 0.801 1.00 24.00 H new ATOM 0 HG21 VAL A 159 -0.191 3.143 0.398 1.00 30.43 H new ATOM 0 HG22 VAL A 159 -1.235 2.638 -0.952 1.00 30.43 H new ATOM 0 HG23 VAL A 159 -0.816 4.355 -0.745 1.00 30.43 H new ATOM 225 N PHE A 160 -5.747 3.377 0.503 1.00 23.34 N ATOM 226 CA PHE A 160 -6.956 3.387 1.334 1.00 65.23 C ATOM 227 C PHE A 160 -6.850 2.363 2.474 1.00 24.44 C ATOM 228 O PHE A 160 -6.804 1.149 2.240 1.00 44.13 O ATOM 229 CB PHE A 160 -8.196 3.092 0.480 1.00 41.34 C ATOM 230 CG PHE A 160 -8.509 4.166 -0.531 1.00 3.54 C ATOM 231 CD1 PHE A 160 -7.954 4.133 -1.801 1.00 14.12 C ATOM 232 CD2 PHE A 160 -9.367 5.209 -0.207 1.00 44.03 C ATOM 233 CE1 PHE A 160 -8.248 5.115 -2.727 1.00 64.22 C ATOM 234 CE2 PHE A 160 -9.664 6.192 -1.130 1.00 3.11 C ATOM 235 CZ PHE A 160 -9.103 6.145 -2.390 1.00 24.44 C ATOM 0 H PHE A 160 -5.761 2.680 -0.242 1.00 23.34 H new ATOM 0 HA PHE A 160 -7.053 4.381 1.771 1.00 65.23 H new ATOM 0 HB2 PHE A 160 -8.049 2.146 -0.042 1.00 41.34 H new ATOM 0 HB3 PHE A 160 -9.056 2.963 1.137 1.00 41.34 H new ATOM 0 HD1 PHE A 160 -7.284 3.330 -2.070 1.00 14.12 H new ATOM 0 HD2 PHE A 160 -9.807 5.252 0.778 1.00 44.03 H new ATOM 0 HE1 PHE A 160 -7.810 5.077 -3.713 1.00 64.22 H new ATOM 0 HE2 PHE A 160 -10.334 6.997 -0.866 1.00 3.11 H new ATOM 0 HZ PHE A 160 -9.333 6.914 -3.112 1.00 24.44 H new ATOM 245 N LEU A 161 -6.813 2.861 3.705 1.00 64.43 N ATOM 246 CA LEU A 161 -6.692 2.011 4.892 1.00 14.22 C ATOM 247 C LEU A 161 -8.063 1.764 5.540 1.00 63.43 C ATOM 248 O LEU A 161 -9.007 2.533 5.330 1.00 61.41 O ATOM 249 CB LEU A 161 -5.747 2.675 5.907 1.00 72.34 C ATOM 250 CG LEU A 161 -4.313 2.915 5.409 1.00 71.43 C ATOM 251 CD1 LEU A 161 -3.504 3.700 6.440 1.00 64.13 C ATOM 252 CD2 LEU A 161 -3.624 1.591 5.083 1.00 55.24 C ATOM 0 H LEU A 161 -6.865 3.858 3.912 1.00 64.43 H new ATOM 0 HA LEU A 161 -6.284 1.048 4.585 1.00 14.22 H new ATOM 0 HB2 LEU A 161 -6.175 3.632 6.206 1.00 72.34 H new ATOM 0 HB3 LEU A 161 -5.704 2.052 6.800 1.00 72.34 H new ATOM 0 HG LEU A 161 -4.368 3.507 4.495 1.00 71.43 H new ATOM 0 HD11 LEU A 161 -2.493 3.858 6.065 1.00 64.13 H new ATOM 0 HD12 LEU A 161 -3.980 4.665 6.618 1.00 64.13 H new ATOM 0 HD13 LEU A 161 -3.462 3.139 7.373 1.00 64.13 H new ATOM 0 HD21 LEU A 161 -2.610 1.785 4.732 1.00 55.24 H new ATOM 0 HD22 LEU A 161 -3.586 0.971 5.978 1.00 55.24 H new ATOM 0 HD23 LEU A 161 -4.184 1.071 4.305 1.00 55.24 H new ATOM 264 N PRO A 162 -8.199 0.683 6.338 1.00 62.42 N ATOM 265 CA PRO A 162 -9.427 0.422 7.104 1.00 75.11 C ATOM 266 C PRO A 162 -9.754 1.572 8.073 1.00 53.21 C ATOM 267 O PRO A 162 -8.953 2.495 8.252 1.00 64.11 O ATOM 268 CB PRO A 162 -9.119 -0.879 7.868 1.00 61.42 C ATOM 269 CG PRO A 162 -7.632 -1.020 7.825 1.00 2.24 C ATOM 270 CD PRO A 162 -7.186 -0.367 6.544 1.00 12.34 C ATOM 0 HA PRO A 162 -10.302 0.337 6.460 1.00 75.11 H new ATOM 0 HB2 PRO A 162 -9.479 -0.826 8.895 1.00 61.42 H new ATOM 0 HB3 PRO A 162 -9.609 -1.734 7.402 1.00 61.42 H new ATOM 0 HG2 PRO A 162 -7.170 -0.540 8.688 1.00 2.24 H new ATOM 0 HG3 PRO A 162 -7.339 -2.070 7.849 1.00 2.24 H new ATOM 0 HD2 PRO A 162 -6.183 0.051 6.632 1.00 12.34 H new ATOM 0 HD3 PRO A 162 -7.165 -1.075 5.716 1.00 12.34 H new ATOM 278 N ASN A 163 -10.930 1.512 8.699 1.00 52.52 N ATOM 279 CA ASN A 163 -11.424 2.612 9.544 1.00 3.54 C ATOM 280 C ASN A 163 -11.622 3.894 8.712 1.00 72.23 C ATOM 281 O ASN A 163 -11.621 5.007 9.246 1.00 74.30 O ATOM 282 CB ASN A 163 -10.472 2.872 10.723 1.00 21.33 C ATOM 283 CG ASN A 163 -10.317 1.656 11.617 1.00 32.21 C ATOM 284 OD1 ASN A 163 -11.227 0.848 11.749 1.00 10.41 O ATOM 285 ND2 ASN A 163 -9.162 1.516 12.235 1.00 54.22 N ATOM 0 H ASN A 163 -11.563 0.714 8.640 1.00 52.52 H new ATOM 0 HA ASN A 163 -12.391 2.315 9.950 1.00 3.54 H new ATOM 0 HB2 ASN A 163 -9.495 3.166 10.340 1.00 21.33 H new ATOM 0 HB3 ASN A 163 -10.848 3.708 11.313 1.00 21.33 H new ATOM 0 HD21 ASN A 163 -9.005 0.715 12.846 1.00 54.22 H new ATOM 0 HD22 ASN A 163 -8.425 2.209 12.102 1.00 54.22 H new ATOM 292 N LYS A 164 -11.801 3.710 7.397 1.00 42.31 N ATOM 293 CA LYS A 164 -12.059 4.808 6.450 1.00 22.21 C ATOM 294 C LYS A 164 -10.883 5.802 6.371 1.00 62.14 C ATOM 295 O LYS A 164 -11.068 6.968 6.017 1.00 44.42 O ATOM 296 CB LYS A 164 -13.357 5.549 6.827 1.00 64.35 C ATOM 297 CG LYS A 164 -14.561 4.631 7.041 1.00 23.04 C ATOM 298 CD LYS A 164 -14.854 3.766 5.818 1.00 21.43 C ATOM 299 CE LYS A 164 -16.054 2.852 6.050 1.00 12.24 C ATOM 300 NZ LYS A 164 -16.333 1.985 4.875 1.00 11.32 N ATOM 0 H LYS A 164 -11.771 2.791 6.956 1.00 42.31 H new ATOM 0 HA LYS A 164 -12.172 4.360 5.463 1.00 22.21 H new ATOM 0 HB2 LYS A 164 -13.184 6.122 7.738 1.00 64.35 H new ATOM 0 HB3 LYS A 164 -13.595 6.265 6.041 1.00 64.35 H new ATOM 0 HG2 LYS A 164 -14.377 3.989 7.902 1.00 23.04 H new ATOM 0 HG3 LYS A 164 -15.438 5.234 7.275 1.00 23.04 H new ATOM 0 HD2 LYS A 164 -15.045 4.406 4.956 1.00 21.43 H new ATOM 0 HD3 LYS A 164 -13.978 3.163 5.580 1.00 21.43 H new ATOM 0 HE2 LYS A 164 -15.870 2.228 6.925 1.00 12.24 H new ATOM 0 HE3 LYS A 164 -16.933 3.458 6.270 1.00 12.24 H new ATOM 0 HZ1 LYS A 164 -17.155 1.381 5.077 1.00 11.32 H new ATOM 0 HZ2 LYS A 164 -16.534 2.579 4.045 1.00 11.32 H new ATOM 0 HZ3 LYS A 164 -15.504 1.387 4.680 1.00 11.32 H new ATOM 314 N GLN A 165 -9.670 5.328 6.658 1.00 44.23 N ATOM 315 CA GLN A 165 -8.483 6.196 6.670 1.00 61.34 C ATOM 316 C GLN A 165 -7.827 6.296 5.278 1.00 2.14 C ATOM 317 O GLN A 165 -7.919 5.378 4.462 1.00 60.44 O ATOM 318 CB GLN A 165 -7.469 5.687 7.706 1.00 74.50 C ATOM 319 CG GLN A 165 -8.042 5.569 9.118 1.00 50.10 C ATOM 320 CD GLN A 165 -8.590 6.884 9.657 1.00 35.12 C ATOM 321 OE1 GLN A 165 -8.104 7.961 9.331 1.00 41.52 O ATOM 322 NE2 GLN A 165 -9.622 6.807 10.475 1.00 50.52 N ATOM 0 H GLN A 165 -9.480 4.352 6.885 1.00 44.23 H new ATOM 0 HA GLN A 165 -8.809 7.199 6.947 1.00 61.34 H new ATOM 0 HB2 GLN A 165 -7.099 4.711 7.391 1.00 74.50 H new ATOM 0 HB3 GLN A 165 -6.613 6.361 7.726 1.00 74.50 H new ATOM 0 HG2 GLN A 165 -8.838 4.824 9.119 1.00 50.10 H new ATOM 0 HG3 GLN A 165 -7.264 5.205 9.789 1.00 50.10 H new ATOM 0 HE21 GLN A 165 -10.005 5.896 10.728 1.00 50.52 H new ATOM 0 HE22 GLN A 165 -10.037 7.658 10.854 1.00 50.52 H new ATOM 331 N ARG A 166 -7.152 7.419 5.023 1.00 11.54 N ATOM 332 CA ARG A 166 -6.540 7.690 3.713 1.00 3.14 C ATOM 333 C ARG A 166 -5.091 8.187 3.874 1.00 61.41 C ATOM 334 O ARG A 166 -4.791 8.968 4.779 1.00 14.00 O ATOM 335 CB ARG A 166 -7.391 8.738 2.975 1.00 31.22 C ATOM 336 CG ARG A 166 -7.022 8.963 1.509 1.00 32.31 C ATOM 337 CD ARG A 166 -7.894 10.052 0.880 1.00 52.20 C ATOM 338 NE ARG A 166 -7.687 10.181 -0.564 1.00 31.23 N ATOM 339 CZ ARG A 166 -7.916 11.276 -1.244 1.00 14.11 C ATOM 340 NH1 ARG A 166 -8.283 12.366 -0.647 1.00 63.21 N ATOM 341 NH2 ARG A 166 -7.769 11.285 -2.530 1.00 24.23 N ATOM 0 H ARG A 166 -7.013 8.161 5.708 1.00 11.54 H new ATOM 0 HA ARG A 166 -6.508 6.768 3.133 1.00 3.14 H new ATOM 0 HB2 ARG A 166 -8.437 8.435 3.027 1.00 31.22 H new ATOM 0 HB3 ARG A 166 -7.308 9.688 3.504 1.00 31.22 H new ATOM 0 HG2 ARG A 166 -5.972 9.246 1.435 1.00 32.31 H new ATOM 0 HG3 ARG A 166 -7.141 8.032 0.954 1.00 32.31 H new ATOM 0 HD2 ARG A 166 -8.943 9.828 1.073 1.00 52.20 H new ATOM 0 HD3 ARG A 166 -7.678 11.006 1.360 1.00 52.20 H new ATOM 0 HE ARG A 166 -7.343 9.366 -1.072 1.00 31.23 H new ATOM 0 HH11 ARG A 166 -8.397 12.379 0.367 1.00 63.21 H new ATOM 0 HH12 ARG A 166 -8.458 13.211 -1.191 1.00 63.21 H new ATOM 0 HH21 ARG A 166 -7.474 10.438 -3.016 1.00 24.23 H new ATOM 0 HH22 ARG A 166 -7.948 12.139 -3.058 1.00 24.23 H new ATOM 355 N THR A 167 -4.192 7.714 3.010 1.00 0.51 N ATOM 356 CA THR A 167 -2.787 8.155 3.033 1.00 1.41 C ATOM 357 C THR A 167 -2.136 8.051 1.648 1.00 10.02 C ATOM 358 O THR A 167 -2.490 7.185 0.846 1.00 64.11 O ATOM 359 CB THR A 167 -1.942 7.341 4.050 1.00 14.04 C ATOM 360 OG1 THR A 167 -0.576 7.793 4.038 1.00 4.15 O ATOM 361 CG2 THR A 167 -1.986 5.845 3.741 1.00 41.11 C ATOM 0 H THR A 167 -4.405 7.028 2.286 1.00 0.51 H new ATOM 0 HA THR A 167 -2.804 9.200 3.342 1.00 1.41 H new ATOM 0 HB THR A 167 -2.372 7.502 5.039 1.00 14.04 H new ATOM 0 HG1 THR A 167 -0.135 7.522 4.870 1.00 4.15 H new ATOM 0 HG21 THR A 167 -1.384 5.305 4.472 1.00 41.11 H new ATOM 0 HG22 THR A 167 -3.017 5.494 3.789 1.00 41.11 H new ATOM 0 HG23 THR A 167 -1.588 5.668 2.742 1.00 41.11 H new ATOM 369 N VAL A 168 -1.192 8.949 1.368 1.00 24.13 N ATOM 370 CA VAL A 168 -0.460 8.955 0.093 1.00 2.20 C ATOM 371 C VAL A 168 1.064 8.995 0.329 1.00 33.34 C ATOM 372 O VAL A 168 1.566 9.829 1.090 1.00 71.15 O ATOM 373 CB VAL A 168 -0.880 10.161 -0.791 1.00 43.21 C ATOM 374 CG1 VAL A 168 -0.160 10.118 -2.134 1.00 54.01 C ATOM 375 CG2 VAL A 168 -2.396 10.195 -0.989 1.00 34.02 C ATOM 0 H VAL A 168 -0.911 9.690 2.011 1.00 24.13 H new ATOM 0 HA VAL A 168 -0.714 8.032 -0.428 1.00 2.20 H new ATOM 0 HB VAL A 168 -0.589 11.076 -0.275 1.00 43.21 H new ATOM 0 HG11 VAL A 168 -0.467 10.971 -2.739 1.00 54.01 H new ATOM 0 HG12 VAL A 168 0.917 10.158 -1.971 1.00 54.01 H new ATOM 0 HG13 VAL A 168 -0.414 9.194 -2.654 1.00 54.01 H new ATOM 0 HG21 VAL A 168 -2.663 11.049 -1.611 1.00 34.02 H new ATOM 0 HG22 VAL A 168 -2.720 9.276 -1.477 1.00 34.02 H new ATOM 0 HG23 VAL A 168 -2.888 10.285 -0.020 1.00 34.02 H new ATOM 385 N VAL A 169 1.795 8.087 -0.325 1.00 5.23 N ATOM 386 CA VAL A 169 3.256 7.980 -0.156 1.00 33.23 C ATOM 387 C VAL A 169 3.996 8.068 -1.509 1.00 35.23 C ATOM 388 O VAL A 169 3.423 7.755 -2.551 1.00 31.42 O ATOM 389 CB VAL A 169 3.637 6.647 0.544 1.00 30.53 C ATOM 390 CG1 VAL A 169 3.006 6.565 1.935 1.00 3.31 C ATOM 391 CG2 VAL A 169 3.232 5.442 -0.307 1.00 74.31 C ATOM 0 H VAL A 169 1.401 7.411 -0.980 1.00 5.23 H new ATOM 0 HA VAL A 169 3.563 8.820 0.466 1.00 33.23 H new ATOM 0 HB VAL A 169 4.721 6.627 0.659 1.00 30.53 H new ATOM 0 HG11 VAL A 169 3.286 5.623 2.407 1.00 3.31 H new ATOM 0 HG12 VAL A 169 3.360 7.396 2.545 1.00 3.31 H new ATOM 0 HG13 VAL A 169 1.921 6.617 1.846 1.00 3.31 H new ATOM 0 HG21 VAL A 169 3.511 4.523 0.208 1.00 74.31 H new ATOM 0 HG22 VAL A 169 2.154 5.455 -0.467 1.00 74.31 H new ATOM 0 HG23 VAL A 169 3.742 5.488 -1.269 1.00 74.31 H new ATOM 401 N PRO A 170 5.276 8.504 -1.515 1.00 72.31 N ATOM 402 CA PRO A 170 6.082 8.585 -2.751 1.00 40.34 C ATOM 403 C PRO A 170 6.579 7.209 -3.243 1.00 73.21 C ATOM 404 O PRO A 170 6.980 6.355 -2.448 1.00 12.11 O ATOM 405 CB PRO A 170 7.263 9.470 -2.331 1.00 61.41 C ATOM 406 CG PRO A 170 7.423 9.212 -0.870 1.00 42.13 C ATOM 407 CD PRO A 170 6.036 8.966 -0.331 1.00 51.13 C ATOM 0 HA PRO A 170 5.504 8.976 -3.588 1.00 40.34 H new ATOM 0 HB2 PRO A 170 8.168 9.211 -2.881 1.00 61.41 H new ATOM 0 HB3 PRO A 170 7.060 10.523 -2.528 1.00 61.41 H new ATOM 0 HG2 PRO A 170 8.067 8.350 -0.695 1.00 42.13 H new ATOM 0 HG3 PRO A 170 7.888 10.063 -0.373 1.00 42.13 H new ATOM 0 HD2 PRO A 170 6.041 8.216 0.459 1.00 51.13 H new ATOM 0 HD3 PRO A 170 5.605 9.873 0.093 1.00 51.13 H new ATOM 415 N ALA A 171 6.572 7.007 -4.564 1.00 41.41 N ATOM 416 CA ALA A 171 6.994 5.732 -5.165 1.00 5.35 C ATOM 417 C ALA A 171 8.400 5.824 -5.779 1.00 4.41 C ATOM 418 O ALA A 171 8.651 6.650 -6.657 1.00 54.22 O ATOM 419 CB ALA A 171 5.989 5.299 -6.227 1.00 0.41 C ATOM 0 H ALA A 171 6.278 7.710 -5.242 1.00 41.41 H new ATOM 0 HA ALA A 171 7.030 4.988 -4.369 1.00 5.35 H new ATOM 0 HB1 ALA A 171 6.309 4.354 -6.667 1.00 0.41 H new ATOM 0 HB2 ALA A 171 5.008 5.172 -5.769 1.00 0.41 H new ATOM 0 HB3 ALA A 171 5.931 6.060 -7.005 1.00 0.41 H new ATOM 425 N ARG A 172 9.317 4.968 -5.316 1.00 72.31 N ATOM 426 CA ARG A 172 10.695 4.946 -5.832 1.00 41.31 C ATOM 427 C ARG A 172 11.172 3.515 -6.126 1.00 71.40 C ATOM 428 O ARG A 172 10.715 2.555 -5.506 1.00 53.10 O ATOM 429 CB ARG A 172 11.648 5.612 -4.829 1.00 75.53 C ATOM 430 CG ARG A 172 11.331 7.079 -4.563 1.00 40.12 C ATOM 431 CD ARG A 172 12.357 7.729 -3.640 1.00 21.30 C ATOM 432 NE ARG A 172 12.327 7.187 -2.279 1.00 32.14 N ATOM 433 CZ ARG A 172 12.629 7.880 -1.214 1.00 11.34 C ATOM 434 NH1 ARG A 172 12.948 9.128 -1.315 1.00 22.35 N ATOM 435 NH2 ARG A 172 12.604 7.332 -0.046 1.00 42.32 N ATOM 0 H ARG A 172 9.133 4.281 -4.585 1.00 72.31 H new ATOM 0 HA ARG A 172 10.701 5.503 -6.769 1.00 41.31 H new ATOM 0 HB2 ARG A 172 11.610 5.065 -3.887 1.00 75.53 H new ATOM 0 HB3 ARG A 172 12.669 5.532 -5.203 1.00 75.53 H new ATOM 0 HG2 ARG A 172 11.300 7.620 -5.509 1.00 40.12 H new ATOM 0 HG3 ARG A 172 10.340 7.160 -4.117 1.00 40.12 H new ATOM 0 HD2 ARG A 172 13.354 7.590 -4.059 1.00 21.30 H new ATOM 0 HD3 ARG A 172 12.174 8.803 -3.602 1.00 21.30 H new ATOM 0 HE ARG A 172 12.054 6.212 -2.156 1.00 32.14 H new ATOM 0 HH11 ARG A 172 12.965 9.578 -2.230 1.00 22.35 H new ATOM 0 HH12 ARG A 172 13.183 9.664 -0.479 1.00 22.35 H new ATOM 0 HH21 ARG A 172 12.347 6.350 0.051 1.00 42.32 H new ATOM 0 HH22 ARG A 172 12.841 7.881 0.780 1.00 42.32 H new ATOM 449 N CYS A 173 12.097 3.387 -7.077 1.00 64.21 N ATOM 450 CA CYS A 173 12.677 2.083 -7.433 1.00 31.43 C ATOM 451 C CYS A 173 13.611 1.575 -6.325 1.00 0.41 C ATOM 452 O CYS A 173 14.416 2.336 -5.788 1.00 42.14 O ATOM 453 CB CYS A 173 13.448 2.187 -8.756 1.00 54.14 C ATOM 454 SG CYS A 173 14.233 0.646 -9.279 1.00 14.04 S ATOM 0 H CYS A 173 12.464 4.170 -7.618 1.00 64.21 H new ATOM 0 HA CYS A 173 11.860 1.371 -7.549 1.00 31.43 H new ATOM 0 HB2 CYS A 173 12.763 2.516 -9.538 1.00 54.14 H new ATOM 0 HB3 CYS A 173 14.214 2.957 -8.658 1.00 54.14 H new ATOM 0 HG CYS A 173 14.855 0.836 -10.404 1.00 14.04 H new ATOM 460 N GLY A 174 13.494 0.295 -5.976 1.00 40.23 N ATOM 461 CA GLY A 174 14.296 -0.264 -4.893 1.00 72.11 C ATOM 462 C GLY A 174 13.591 -0.195 -3.540 1.00 70.25 C ATOM 463 O GLY A 174 13.876 -0.988 -2.640 1.00 44.21 O ATOM 0 H GLY A 174 12.859 -0.367 -6.422 1.00 40.23 H new ATOM 0 HA2 GLY A 174 14.534 -1.303 -5.122 1.00 72.11 H new ATOM 0 HA3 GLY A 174 15.242 0.274 -4.833 1.00 72.11 H new ATOM 467 N VAL A 175 12.678 0.765 -3.393 1.00 4.13 N ATOM 468 CA VAL A 175 11.883 0.908 -2.169 1.00 43.51 C ATOM 469 C VAL A 175 10.679 -0.047 -2.184 1.00 44.14 C ATOM 470 O VAL A 175 9.883 -0.043 -3.124 1.00 55.21 O ATOM 471 CB VAL A 175 11.376 2.365 -1.999 1.00 53.24 C ATOM 472 CG1 VAL A 175 10.521 2.507 -0.740 1.00 25.25 C ATOM 473 CG2 VAL A 175 12.550 3.345 -1.977 1.00 73.53 C ATOM 0 H VAL A 175 12.468 1.460 -4.110 1.00 4.13 H new ATOM 0 HA VAL A 175 12.532 0.657 -1.330 1.00 43.51 H new ATOM 0 HB VAL A 175 10.747 2.606 -2.856 1.00 53.24 H new ATOM 0 HG11 VAL A 175 10.180 3.538 -0.646 1.00 25.25 H new ATOM 0 HG12 VAL A 175 9.659 1.844 -0.809 1.00 25.25 H new ATOM 0 HG13 VAL A 175 11.114 2.240 0.135 1.00 25.25 H new ATOM 0 HG21 VAL A 175 12.174 4.361 -1.857 1.00 73.53 H new ATOM 0 HG22 VAL A 175 13.211 3.102 -1.145 1.00 73.53 H new ATOM 0 HG23 VAL A 175 13.103 3.271 -2.913 1.00 73.53 H new ATOM 483 N THR A 176 10.543 -0.860 -1.143 1.00 53.53 N ATOM 484 CA THR A 176 9.457 -1.846 -1.074 1.00 63.25 C ATOM 485 C THR A 176 8.157 -1.234 -0.536 1.00 71.23 C ATOM 486 O THR A 176 8.155 -0.143 0.042 1.00 5.13 O ATOM 487 CB THR A 176 9.832 -3.052 -0.181 1.00 0.10 C ATOM 488 OG1 THR A 176 9.968 -2.637 1.191 1.00 22.01 O ATOM 489 CG2 THR A 176 11.132 -3.701 -0.649 1.00 60.02 C ATOM 0 H THR A 176 11.166 -0.861 -0.335 1.00 53.53 H new ATOM 0 HA THR A 176 9.300 -2.184 -2.098 1.00 63.25 H new ATOM 0 HB THR A 176 9.029 -3.785 -0.260 1.00 0.10 H new ATOM 0 HG1 THR A 176 10.781 -2.099 1.291 1.00 22.01 H new ATOM 0 HG21 THR A 176 11.370 -4.546 -0.003 1.00 60.02 H new ATOM 0 HG22 THR A 176 11.015 -4.051 -1.675 1.00 60.02 H new ATOM 0 HG23 THR A 176 11.940 -2.971 -0.604 1.00 60.02 H new ATOM 497 N VAL A 177 7.048 -1.946 -0.734 1.00 51.21 N ATOM 498 CA VAL A 177 5.752 -1.541 -0.177 1.00 21.11 C ATOM 499 C VAL A 177 5.823 -1.451 1.356 1.00 70.03 C ATOM 500 O VAL A 177 5.181 -0.606 1.979 1.00 22.14 O ATOM 501 CB VAL A 177 4.627 -2.530 -0.591 1.00 72.03 C ATOM 502 CG1 VAL A 177 3.275 -2.107 -0.013 1.00 50.42 C ATOM 503 CG2 VAL A 177 4.553 -2.648 -2.113 1.00 71.02 C ATOM 0 H VAL A 177 7.018 -2.809 -1.277 1.00 51.21 H new ATOM 0 HA VAL A 177 5.515 -0.557 -0.582 1.00 21.11 H new ATOM 0 HB VAL A 177 4.871 -3.509 -0.179 1.00 72.03 H new ATOM 0 HG11 VAL A 177 2.509 -2.819 -0.321 1.00 50.42 H new ATOM 0 HG12 VAL A 177 3.335 -2.086 1.075 1.00 50.42 H new ATOM 0 HG13 VAL A 177 3.016 -1.114 -0.381 1.00 50.42 H new ATOM 0 HG21 VAL A 177 3.760 -3.344 -2.386 1.00 71.02 H new ATOM 0 HG22 VAL A 177 4.341 -1.670 -2.544 1.00 71.02 H new ATOM 0 HG23 VAL A 177 5.505 -3.014 -2.496 1.00 71.02 H new ATOM 513 N ARG A 178 6.638 -2.318 1.953 1.00 55.25 N ATOM 514 CA ARG A 178 6.840 -2.321 3.402 1.00 40.55 C ATOM 515 C ARG A 178 7.485 -1.003 3.866 1.00 13.13 C ATOM 516 O ARG A 178 6.957 -0.317 4.741 1.00 31.53 O ATOM 517 CB ARG A 178 7.717 -3.515 3.809 1.00 43.51 C ATOM 518 CG ARG A 178 7.515 -3.972 5.251 1.00 1.14 C ATOM 519 CD ARG A 178 8.527 -5.041 5.659 1.00 23.24 C ATOM 520 NE ARG A 178 8.633 -6.114 4.665 1.00 51.54 N ATOM 521 CZ ARG A 178 7.971 -7.240 4.709 1.00 31.42 C ATOM 522 NH1 ARG A 178 7.162 -7.491 5.689 1.00 72.44 N ATOM 523 NH2 ARG A 178 8.149 -8.126 3.779 1.00 32.13 N ATOM 0 H ARG A 178 7.171 -3.030 1.454 1.00 55.25 H new ATOM 0 HA ARG A 178 5.868 -2.414 3.886 1.00 40.55 H new ATOM 0 HB2 ARG A 178 7.507 -4.351 3.141 1.00 43.51 H new ATOM 0 HB3 ARG A 178 8.764 -3.248 3.667 1.00 43.51 H new ATOM 0 HG2 ARG A 178 7.604 -3.115 5.919 1.00 1.14 H new ATOM 0 HG3 ARG A 178 6.505 -4.365 5.369 1.00 1.14 H new ATOM 0 HD2 ARG A 178 9.504 -4.579 5.798 1.00 23.24 H new ATOM 0 HD3 ARG A 178 8.236 -5.466 6.620 1.00 23.24 H new ATOM 0 HE ARG A 178 9.270 -5.971 3.882 1.00 51.54 H new ATOM 0 HH11 ARG A 178 7.037 -6.807 6.435 1.00 72.44 H new ATOM 0 HH12 ARG A 178 6.650 -8.373 5.714 1.00 72.44 H new ATOM 0 HH21 ARG A 178 8.803 -7.942 3.018 1.00 32.13 H new ATOM 0 HH22 ARG A 178 7.635 -9.007 3.808 1.00 32.13 H new ATOM 537 N ASP A 179 8.617 -0.644 3.254 1.00 24.45 N ATOM 538 CA ASP A 179 9.335 0.593 3.604 1.00 73.44 C ATOM 539 C ASP A 179 8.472 1.845 3.393 1.00 45.42 C ATOM 540 O ASP A 179 8.522 2.788 4.184 1.00 15.25 O ATOM 541 CB ASP A 179 10.616 0.733 2.777 1.00 45.45 C ATOM 542 CG ASP A 179 11.645 -0.328 3.106 1.00 42.44 C ATOM 543 OD1 ASP A 179 12.055 -0.417 4.283 1.00 65.22 O ATOM 544 OD2 ASP A 179 12.062 -1.068 2.190 1.00 75.40 O ATOM 0 H ASP A 179 9.059 -1.189 2.514 1.00 24.45 H new ATOM 0 HA ASP A 179 9.582 0.516 4.663 1.00 73.44 H new ATOM 0 HB2 ASP A 179 10.367 0.675 1.717 1.00 45.45 H new ATOM 0 HB3 ASP A 179 11.049 1.718 2.950 1.00 45.45 H new ATOM 549 N SER A 180 7.685 1.848 2.325 1.00 21.12 N ATOM 550 CA SER A 180 6.898 3.027 1.942 1.00 23.30 C ATOM 551 C SER A 180 5.649 3.222 2.815 1.00 45.43 C ATOM 552 O SER A 180 5.232 4.356 3.055 1.00 3.23 O ATOM 553 CB SER A 180 6.491 2.930 0.465 1.00 11.42 C ATOM 554 OG SER A 180 5.801 1.720 0.199 1.00 54.24 O ATOM 0 H SER A 180 7.570 1.048 1.703 1.00 21.12 H new ATOM 0 HA SER A 180 7.536 3.897 2.099 1.00 23.30 H new ATOM 0 HB2 SER A 180 5.857 3.777 0.204 1.00 11.42 H new ATOM 0 HB3 SER A 180 7.379 2.990 -0.164 1.00 11.42 H new ATOM 0 HG SER A 180 5.679 1.222 1.034 1.00 54.24 H new ATOM 560 N LEU A 181 5.058 2.132 3.309 1.00 42.25 N ATOM 561 CA LEU A 181 3.786 2.223 4.047 1.00 11.43 C ATOM 562 C LEU A 181 3.915 2.022 5.572 1.00 24.53 C ATOM 563 O LEU A 181 3.031 2.445 6.314 1.00 43.40 O ATOM 564 CB LEU A 181 2.778 1.207 3.489 1.00 65.21 C ATOM 565 CG LEU A 181 2.337 1.443 2.036 1.00 60.25 C ATOM 566 CD1 LEU A 181 1.282 0.420 1.618 1.00 33.42 C ATOM 567 CD2 LEU A 181 1.812 2.867 1.863 1.00 55.35 C ATOM 0 H LEU A 181 5.429 1.187 3.216 1.00 42.25 H new ATOM 0 HA LEU A 181 3.438 3.245 3.899 1.00 11.43 H new ATOM 0 HB2 LEU A 181 3.215 0.211 3.561 1.00 65.21 H new ATOM 0 HB3 LEU A 181 1.893 1.213 4.125 1.00 65.21 H new ATOM 0 HG LEU A 181 3.204 1.316 1.388 1.00 60.25 H new ATOM 0 HD11 LEU A 181 0.984 0.606 0.586 1.00 33.42 H new ATOM 0 HD12 LEU A 181 1.696 -0.585 1.701 1.00 33.42 H new ATOM 0 HD13 LEU A 181 0.412 0.508 2.268 1.00 33.42 H new ATOM 0 HD21 LEU A 181 1.504 3.018 0.828 1.00 55.35 H new ATOM 0 HD22 LEU A 181 0.958 3.023 2.522 1.00 55.35 H new ATOM 0 HD23 LEU A 181 2.599 3.578 2.115 1.00 55.35 H new ATOM 579 N LYS A 182 4.996 1.395 6.047 1.00 11.34 N ATOM 580 CA LYS A 182 5.097 1.023 7.477 1.00 32.12 C ATOM 581 C LYS A 182 4.888 2.216 8.439 1.00 70.53 C ATOM 582 O LYS A 182 4.330 2.044 9.526 1.00 12.13 O ATOM 583 CB LYS A 182 6.422 0.296 7.778 1.00 43.13 C ATOM 584 CG LYS A 182 7.693 1.071 7.433 1.00 41.22 C ATOM 585 CD LYS A 182 8.931 0.191 7.623 1.00 63.35 C ATOM 586 CE LYS A 182 10.224 0.888 7.212 1.00 41.24 C ATOM 587 NZ LYS A 182 10.551 2.041 8.090 1.00 55.10 N ATOM 0 H LYS A 182 5.804 1.135 5.481 1.00 11.34 H new ATOM 0 HA LYS A 182 4.274 0.333 7.663 1.00 32.12 H new ATOM 0 HB2 LYS A 182 6.446 0.047 8.839 1.00 43.13 H new ATOM 0 HB3 LYS A 182 6.432 -0.646 7.229 1.00 43.13 H new ATOM 0 HG2 LYS A 182 7.644 1.420 6.402 1.00 41.22 H new ATOM 0 HG3 LYS A 182 7.769 1.955 8.066 1.00 41.22 H new ATOM 0 HD2 LYS A 182 9.002 -0.107 8.669 1.00 63.35 H new ATOM 0 HD3 LYS A 182 8.815 -0.722 7.039 1.00 63.35 H new ATOM 0 HE2 LYS A 182 11.044 0.171 7.239 1.00 41.24 H new ATOM 0 HE3 LYS A 182 10.136 1.233 6.182 1.00 41.24 H new ATOM 0 HZ1 LYS A 182 11.446 2.470 7.780 1.00 55.10 H new ATOM 0 HZ2 LYS A 182 9.790 2.748 8.033 1.00 55.10 H new ATOM 0 HZ3 LYS A 182 10.646 1.713 9.072 1.00 55.10 H new ATOM 601 N LYS A 183 5.316 3.417 8.044 1.00 5.24 N ATOM 602 CA LYS A 183 5.059 4.623 8.852 1.00 72.45 C ATOM 603 C LYS A 183 3.586 5.055 8.747 1.00 73.14 C ATOM 604 O LYS A 183 2.948 5.376 9.753 1.00 35.30 O ATOM 605 CB LYS A 183 5.975 5.782 8.429 1.00 30.43 C ATOM 606 CG LYS A 183 7.461 5.514 8.648 1.00 64.15 C ATOM 607 CD LYS A 183 8.309 6.765 8.405 1.00 62.35 C ATOM 608 CE LYS A 183 8.142 7.305 6.988 1.00 55.21 C ATOM 609 NZ LYS A 183 8.564 6.317 5.962 1.00 52.32 N ATOM 0 H LYS A 183 5.836 3.585 7.183 1.00 5.24 H new ATOM 0 HA LYS A 183 5.277 4.370 9.890 1.00 72.45 H new ATOM 0 HB2 LYS A 183 5.807 5.997 7.374 1.00 30.43 H new ATOM 0 HB3 LYS A 183 5.692 6.676 8.985 1.00 30.43 H new ATOM 0 HG2 LYS A 183 7.620 5.160 9.667 1.00 64.15 H new ATOM 0 HG3 LYS A 183 7.789 4.718 7.979 1.00 64.15 H new ATOM 0 HD2 LYS A 183 8.029 7.537 9.122 1.00 62.35 H new ATOM 0 HD3 LYS A 183 9.359 6.531 8.582 1.00 62.35 H new ATOM 0 HE2 LYS A 183 7.099 7.575 6.824 1.00 55.21 H new ATOM 0 HE3 LYS A 183 8.729 8.217 6.876 1.00 55.21 H new ATOM 0 HZ1 LYS A 183 8.547 6.763 5.023 1.00 52.32 H new ATOM 0 HZ2 LYS A 183 9.528 5.989 6.172 1.00 52.32 H new ATOM 0 HZ3 LYS A 183 7.912 5.506 5.972 1.00 52.32 H new ATOM 623 N ALA A 184 3.049 5.055 7.524 1.00 41.34 N ATOM 624 CA ALA A 184 1.633 5.380 7.286 1.00 43.30 C ATOM 625 C ALA A 184 0.703 4.452 8.088 1.00 31.23 C ATOM 626 O ALA A 184 -0.358 4.867 8.560 1.00 71.22 O ATOM 627 CB ALA A 184 1.316 5.294 5.796 1.00 35.11 C ATOM 0 H ALA A 184 3.573 4.833 6.678 1.00 41.34 H new ATOM 0 HA ALA A 184 1.459 6.401 7.627 1.00 43.30 H new ATOM 0 HB1 ALA A 184 0.266 5.536 5.633 1.00 35.11 H new ATOM 0 HB2 ALA A 184 1.941 6.001 5.250 1.00 35.11 H new ATOM 0 HB3 ALA A 184 1.515 4.283 5.440 1.00 35.11 H new ATOM 633 N LEU A 185 1.113 3.195 8.229 1.00 3.40 N ATOM 634 CA LEU A 185 0.375 2.220 9.038 1.00 62.20 C ATOM 635 C LEU A 185 0.467 2.565 10.529 1.00 54.12 C ATOM 636 O LEU A 185 -0.544 2.613 11.233 1.00 23.52 O ATOM 637 CB LEU A 185 0.936 0.812 8.803 1.00 11.34 C ATOM 638 CG LEU A 185 0.875 0.310 7.354 1.00 14.12 C ATOM 639 CD1 LEU A 185 1.471 -1.086 7.259 1.00 21.43 C ATOM 640 CD2 LEU A 185 -0.559 0.329 6.825 1.00 55.51 C ATOM 0 H LEU A 185 1.956 2.823 7.793 1.00 3.40 H new ATOM 0 HA LEU A 185 -0.672 2.252 8.737 1.00 62.20 H new ATOM 0 HB2 LEU A 185 1.975 0.794 9.132 1.00 11.34 H new ATOM 0 HB3 LEU A 185 0.390 0.112 9.435 1.00 11.34 H new ATOM 0 HG LEU A 185 1.464 0.983 6.731 1.00 14.12 H new ATOM 0 HD11 LEU A 185 1.423 -1.433 6.227 1.00 21.43 H new ATOM 0 HD12 LEU A 185 2.511 -1.061 7.585 1.00 21.43 H new ATOM 0 HD13 LEU A 185 0.907 -1.767 7.897 1.00 21.43 H new ATOM 0 HD21 LEU A 185 -0.572 -0.032 5.796 1.00 55.51 H new ATOM 0 HD22 LEU A 185 -1.184 -0.316 7.444 1.00 55.51 H new ATOM 0 HD23 LEU A 185 -0.945 1.348 6.857 1.00 55.51 H new ATOM 652 N MET A 186 1.687 2.819 10.999 1.00 60.10 N ATOM 653 CA MET A 186 1.936 3.118 12.414 1.00 73.45 C ATOM 654 C MET A 186 1.112 4.324 12.899 1.00 74.23 C ATOM 655 O MET A 186 0.493 4.276 13.964 1.00 43.12 O ATOM 656 CB MET A 186 3.432 3.379 12.644 1.00 33.53 C ATOM 657 CG MET A 186 3.802 3.580 14.109 1.00 71.33 C ATOM 658 SD MET A 186 3.339 2.169 15.135 1.00 14.40 S ATOM 659 CE MET A 186 3.837 2.752 16.756 1.00 45.21 C ATOM 0 H MET A 186 2.526 2.824 10.419 1.00 60.10 H new ATOM 0 HA MET A 186 1.624 2.249 12.993 1.00 73.45 H new ATOM 0 HB2 MET A 186 4.003 2.540 12.246 1.00 33.53 H new ATOM 0 HB3 MET A 186 3.728 4.263 12.079 1.00 33.53 H new ATOM 0 HG2 MET A 186 4.876 3.748 14.190 1.00 71.33 H new ATOM 0 HG3 MET A 186 3.310 4.477 14.486 1.00 71.33 H new ATOM 0 HE1 MET A 186 3.615 1.988 17.501 1.00 45.21 H new ATOM 0 HE2 MET A 186 4.907 2.958 16.756 1.00 45.21 H new ATOM 0 HE3 MET A 186 3.292 3.664 16.998 1.00 45.21 H new ATOM 669 N MET A 187 1.094 5.395 12.107 1.00 31.45 N ATOM 670 CA MET A 187 0.364 6.623 12.471 1.00 21.43 C ATOM 671 C MET A 187 -1.169 6.438 12.421 1.00 12.45 C ATOM 672 O MET A 187 -1.921 7.323 12.833 1.00 73.15 O ATOM 673 CB MET A 187 0.782 7.783 11.553 1.00 61.44 C ATOM 674 CG MET A 187 0.510 7.532 10.077 1.00 54.24 C ATOM 675 SD MET A 187 1.042 8.900 9.025 1.00 30.54 S ATOM 676 CE MET A 187 -0.012 10.222 9.627 1.00 1.32 C ATOM 0 H MET A 187 1.574 5.444 11.208 1.00 31.45 H new ATOM 0 HA MET A 187 0.629 6.856 13.502 1.00 21.43 H new ATOM 0 HB2 MET A 187 0.254 8.685 11.861 1.00 61.44 H new ATOM 0 HB3 MET A 187 1.846 7.975 11.688 1.00 61.44 H new ATOM 0 HG2 MET A 187 1.022 6.621 9.768 1.00 54.24 H new ATOM 0 HG3 MET A 187 -0.557 7.362 9.933 1.00 54.24 H new ATOM 0 HE1 MET A 187 -0.071 11.010 8.877 1.00 1.32 H new ATOM 0 HE2 MET A 187 -1.011 9.831 9.822 1.00 1.32 H new ATOM 0 HE3 MET A 187 0.405 10.629 10.548 1.00 1.32 H new ATOM 686 N ARG A 188 -1.627 5.299 11.897 1.00 41.15 N ATOM 687 CA ARG A 188 -3.066 4.986 11.846 1.00 44.23 C ATOM 688 C ARG A 188 -3.437 3.823 12.789 1.00 13.24 C ATOM 689 O ARG A 188 -4.601 3.660 13.159 1.00 42.42 O ATOM 690 CB ARG A 188 -3.484 4.641 10.409 1.00 61.14 C ATOM 691 CG ARG A 188 -3.422 5.815 9.434 1.00 64.44 C ATOM 692 CD ARG A 188 -4.358 6.950 9.836 1.00 10.33 C ATOM 693 NE ARG A 188 -4.377 8.021 8.838 1.00 4.30 N ATOM 694 CZ ARG A 188 -4.250 9.293 9.115 1.00 5.13 C ATOM 695 NH1 ARG A 188 -4.116 9.698 10.338 1.00 73.30 N ATOM 696 NH2 ARG A 188 -4.272 10.165 8.160 1.00 65.11 N ATOM 0 H ARG A 188 -1.027 4.576 11.501 1.00 41.15 H new ATOM 0 HA ARG A 188 -3.603 5.873 12.181 1.00 44.23 H new ATOM 0 HB2 ARG A 188 -2.841 3.843 10.038 1.00 61.14 H new ATOM 0 HB3 ARG A 188 -4.501 4.250 10.424 1.00 61.14 H new ATOM 0 HG2 ARG A 188 -2.400 6.190 9.385 1.00 64.44 H new ATOM 0 HG3 ARG A 188 -3.683 5.468 8.434 1.00 64.44 H new ATOM 0 HD2 ARG A 188 -5.367 6.559 9.968 1.00 10.33 H new ATOM 0 HD3 ARG A 188 -4.045 7.356 10.798 1.00 10.33 H new ATOM 0 HE ARG A 188 -4.497 7.757 7.860 1.00 4.30 H new ATOM 0 HH11 ARG A 188 -4.108 9.021 11.101 1.00 73.30 H new ATOM 0 HH12 ARG A 188 -4.018 10.693 10.538 1.00 73.30 H new ATOM 0 HH21 ARG A 188 -4.388 9.860 7.194 1.00 65.11 H new ATOM 0 HH22 ARG A 188 -4.173 11.158 8.373 1.00 65.11 H new ATOM 710 N GLY A 189 -2.446 3.013 13.163 1.00 1.32 N ATOM 711 CA GLY A 189 -2.689 1.884 14.064 1.00 1.04 C ATOM 712 C GLY A 189 -2.748 0.534 13.350 1.00 11.24 C ATOM 713 O GLY A 189 -3.562 -0.325 13.698 1.00 31.12 O ATOM 0 H GLY A 189 -1.477 3.115 12.860 1.00 1.32 H new ATOM 0 HA2 GLY A 189 -1.901 1.854 14.816 1.00 1.04 H new ATOM 0 HA3 GLY A 189 -3.628 2.047 14.593 1.00 1.04 H new ATOM 717 N LEU A 190 -1.893 0.344 12.344 1.00 4.50 N ATOM 718 CA LEU A 190 -1.819 -0.927 11.608 1.00 41.23 C ATOM 719 C LEU A 190 -0.406 -1.537 11.671 1.00 53.32 C ATOM 720 O LEU A 190 0.546 -0.890 12.114 1.00 40.20 O ATOM 721 CB LEU A 190 -2.213 -0.734 10.134 1.00 20.31 C ATOM 722 CG LEU A 190 -3.634 -0.202 9.870 1.00 13.11 C ATOM 723 CD1 LEU A 190 -3.699 1.310 10.036 1.00 65.42 C ATOM 724 CD2 LEU A 190 -4.107 -0.614 8.478 1.00 52.12 C ATOM 0 H LEU A 190 -1.238 1.054 12.017 1.00 4.50 H new ATOM 0 HA LEU A 190 -2.521 -1.609 12.087 1.00 41.23 H new ATOM 0 HB2 LEU A 190 -1.501 -0.047 9.677 1.00 20.31 H new ATOM 0 HB3 LEU A 190 -2.106 -1.691 9.623 1.00 20.31 H new ATOM 0 HG LEU A 190 -4.302 -0.644 10.609 1.00 13.11 H new ATOM 0 HD11 LEU A 190 -4.715 1.654 9.843 1.00 65.42 H new ATOM 0 HD12 LEU A 190 -3.413 1.577 11.053 1.00 65.42 H new ATOM 0 HD13 LEU A 190 -3.016 1.783 9.331 1.00 65.42 H new ATOM 0 HD21 LEU A 190 -5.113 -0.230 8.307 1.00 52.12 H new ATOM 0 HD22 LEU A 190 -3.430 -0.205 7.728 1.00 52.12 H new ATOM 0 HD23 LEU A 190 -4.116 -1.701 8.404 1.00 52.12 H new ATOM 736 N ILE A 191 -0.287 -2.789 11.220 1.00 30.20 N ATOM 737 CA ILE A 191 1.009 -3.478 11.109 1.00 65.13 C ATOM 738 C ILE A 191 1.044 -4.367 9.848 1.00 54.13 C ATOM 739 O ILE A 191 0.093 -5.103 9.575 1.00 72.33 O ATOM 740 CB ILE A 191 1.324 -4.347 12.364 1.00 65.34 C ATOM 741 CG1 ILE A 191 0.155 -5.299 12.677 1.00 45.21 C ATOM 742 CG2 ILE A 191 1.656 -3.466 13.573 1.00 64.43 C ATOM 743 CD1 ILE A 191 0.399 -6.198 13.871 1.00 12.44 C ATOM 0 H ILE A 191 -1.081 -3.355 10.922 1.00 30.20 H new ATOM 0 HA ILE A 191 1.772 -2.703 11.035 1.00 65.13 H new ATOM 0 HB ILE A 191 2.202 -4.954 12.143 1.00 65.34 H new ATOM 0 HG12 ILE A 191 -0.743 -4.709 12.857 1.00 45.21 H new ATOM 0 HG13 ILE A 191 -0.040 -5.919 11.802 1.00 45.21 H new ATOM 0 HG21 ILE A 191 1.872 -4.097 14.435 1.00 64.43 H new ATOM 0 HG22 ILE A 191 2.527 -2.851 13.347 1.00 64.43 H new ATOM 0 HG23 ILE A 191 0.806 -2.822 13.799 1.00 64.43 H new ATOM 0 HD11 ILE A 191 -0.469 -6.839 14.028 1.00 12.44 H new ATOM 0 HD12 ILE A 191 1.278 -6.816 13.688 1.00 12.44 H new ATOM 0 HD13 ILE A 191 0.564 -5.587 14.759 1.00 12.44 H new ATOM 755 N PRO A 192 2.145 -4.321 9.066 1.00 34.51 N ATOM 756 CA PRO A 192 2.244 -5.043 7.778 1.00 30.15 C ATOM 757 C PRO A 192 1.907 -6.542 7.881 1.00 15.15 C ATOM 758 O PRO A 192 1.241 -7.101 7.009 1.00 35.44 O ATOM 759 CB PRO A 192 3.713 -4.848 7.373 1.00 3.10 C ATOM 760 CG PRO A 192 4.139 -3.599 8.069 1.00 5.32 C ATOM 761 CD PRO A 192 3.383 -3.572 9.372 1.00 13.02 C ATOM 0 HA PRO A 192 1.525 -4.658 7.055 1.00 30.15 H new ATOM 0 HB2 PRO A 192 4.323 -5.698 7.678 1.00 3.10 H new ATOM 0 HB3 PRO A 192 3.816 -4.753 6.292 1.00 3.10 H new ATOM 0 HG2 PRO A 192 5.215 -3.596 8.242 1.00 5.32 H new ATOM 0 HG3 PRO A 192 3.911 -2.719 7.467 1.00 5.32 H new ATOM 0 HD2 PRO A 192 3.950 -4.043 10.175 1.00 13.02 H new ATOM 0 HD3 PRO A 192 3.167 -2.552 9.690 1.00 13.02 H new ATOM 769 N GLU A 193 2.356 -7.182 8.960 1.00 44.34 N ATOM 770 CA GLU A 193 2.152 -8.626 9.159 1.00 63.50 C ATOM 771 C GLU A 193 0.672 -9.004 9.379 1.00 3.41 C ATOM 772 O GLU A 193 0.319 -10.185 9.359 1.00 1.34 O ATOM 773 CB GLU A 193 3.003 -9.108 10.342 1.00 54.33 C ATOM 774 CG GLU A 193 2.732 -8.366 11.646 1.00 40.21 C ATOM 775 CD GLU A 193 3.725 -8.729 12.742 1.00 75.41 C ATOM 776 OE1 GLU A 193 4.834 -8.151 12.758 1.00 54.25 O ATOM 777 OE2 GLU A 193 3.405 -9.584 13.591 1.00 44.21 O ATOM 0 H GLU A 193 2.866 -6.725 9.716 1.00 44.34 H new ATOM 0 HA GLU A 193 2.466 -9.124 8.241 1.00 63.50 H new ATOM 0 HB2 GLU A 193 2.821 -10.172 10.497 1.00 54.33 H new ATOM 0 HB3 GLU A 193 4.057 -8.998 10.086 1.00 54.33 H new ATOM 0 HG2 GLU A 193 2.773 -7.292 11.464 1.00 40.21 H new ATOM 0 HG3 GLU A 193 1.722 -8.593 11.986 1.00 40.21 H new ATOM 784 N CYS A 194 -0.190 -8.010 9.591 1.00 20.14 N ATOM 785 CA CYS A 194 -1.631 -8.257 9.780 1.00 50.14 C ATOM 786 C CYS A 194 -2.473 -7.495 8.744 1.00 20.11 C ATOM 787 O CYS A 194 -3.701 -7.447 8.836 1.00 60.35 O ATOM 788 CB CYS A 194 -2.058 -7.857 11.199 1.00 60.12 C ATOM 789 SG CYS A 194 -3.797 -8.181 11.575 1.00 25.31 S ATOM 0 H CYS A 194 0.077 -7.027 9.637 1.00 20.14 H new ATOM 0 HA CYS A 194 -1.806 -9.324 9.639 1.00 50.14 H new ATOM 0 HB2 CYS A 194 -1.438 -8.394 11.917 1.00 60.12 H new ATOM 0 HB3 CYS A 194 -1.861 -6.794 11.339 1.00 60.12 H new ATOM 0 HG CYS A 194 -4.500 -8.094 10.485 1.00 25.31 H new ATOM 795 N CYS A 195 -1.809 -6.921 7.743 1.00 73.04 N ATOM 796 CA CYS A 195 -2.493 -6.139 6.705 1.00 62.44 C ATOM 797 C CYS A 195 -2.200 -6.686 5.299 1.00 5.21 C ATOM 798 O CYS A 195 -1.091 -7.147 5.020 1.00 64.23 O ATOM 799 CB CYS A 195 -2.071 -4.669 6.791 1.00 54.33 C ATOM 800 SG CYS A 195 -2.500 -3.871 8.358 1.00 74.43 S ATOM 0 H CYS A 195 -0.798 -6.980 7.625 1.00 73.04 H new ATOM 0 HA CYS A 195 -3.566 -6.221 6.880 1.00 62.44 H new ATOM 0 HB2 CYS A 195 -0.993 -4.602 6.644 1.00 54.33 H new ATOM 0 HB3 CYS A 195 -2.539 -4.119 5.975 1.00 54.33 H new ATOM 0 HG CYS A 195 -1.617 -4.183 9.260 1.00 74.43 H new ATOM 806 N ALA A 196 -3.199 -6.631 4.419 1.00 60.20 N ATOM 807 CA ALA A 196 -3.056 -7.126 3.042 1.00 41.14 C ATOM 808 C ALA A 196 -3.355 -6.026 2.013 1.00 75.22 C ATOM 809 O ALA A 196 -4.463 -5.492 1.967 1.00 52.01 O ATOM 810 CB ALA A 196 -3.979 -8.321 2.822 1.00 30.13 C ATOM 0 H ALA A 196 -4.120 -6.248 4.632 1.00 60.20 H new ATOM 0 HA ALA A 196 -2.021 -7.437 2.901 1.00 41.14 H new ATOM 0 HB1 ALA A 196 -3.868 -8.683 1.800 1.00 30.13 H new ATOM 0 HB2 ALA A 196 -3.716 -9.117 3.519 1.00 30.13 H new ATOM 0 HB3 ALA A 196 -5.013 -8.018 2.990 1.00 30.13 H new ATOM 816 N VAL A 197 -2.369 -5.700 1.184 1.00 63.21 N ATOM 817 CA VAL A 197 -2.523 -4.670 0.151 1.00 72.34 C ATOM 818 C VAL A 197 -2.819 -5.304 -1.214 1.00 42.43 C ATOM 819 O VAL A 197 -2.169 -6.274 -1.604 1.00 53.54 O ATOM 820 CB VAL A 197 -1.240 -3.809 0.026 1.00 4.22 C ATOM 821 CG1 VAL A 197 -1.459 -2.636 -0.927 1.00 2.34 C ATOM 822 CG2 VAL A 197 -0.775 -3.320 1.395 1.00 21.05 C ATOM 0 H VAL A 197 -1.447 -6.135 1.204 1.00 63.21 H new ATOM 0 HA VAL A 197 -3.358 -4.038 0.452 1.00 72.34 H new ATOM 0 HB VAL A 197 -0.454 -4.438 -0.391 1.00 4.22 H new ATOM 0 HG11 VAL A 197 -0.544 -2.048 -0.997 1.00 2.34 H new ATOM 0 HG12 VAL A 197 -1.724 -3.014 -1.915 1.00 2.34 H new ATOM 0 HG13 VAL A 197 -2.266 -2.007 -0.551 1.00 2.34 H new ATOM 0 HG21 VAL A 197 0.127 -2.718 1.280 1.00 21.05 H new ATOM 0 HG22 VAL A 197 -1.559 -2.715 1.851 1.00 21.05 H new ATOM 0 HG23 VAL A 197 -0.560 -4.177 2.034 1.00 21.05 H new ATOM 832 N TYR A 198 -3.803 -4.771 -1.939 1.00 64.02 N ATOM 833 CA TYR A 198 -4.090 -5.244 -3.303 1.00 1.00 C ATOM 834 C TYR A 198 -4.394 -4.078 -4.257 1.00 1.14 C ATOM 835 O TYR A 198 -4.826 -2.998 -3.835 1.00 3.34 O ATOM 836 CB TYR A 198 -5.254 -6.253 -3.309 1.00 44.43 C ATOM 837 CG TYR A 198 -6.596 -5.671 -2.905 1.00 1.25 C ATOM 838 CD1 TYR A 198 -6.956 -5.573 -1.566 1.00 21.33 C ATOM 839 CD2 TYR A 198 -7.506 -5.225 -3.863 1.00 61.51 C ATOM 840 CE1 TYR A 198 -8.178 -5.050 -1.194 1.00 44.11 C ATOM 841 CE2 TYR A 198 -8.726 -4.701 -3.494 1.00 5.51 C ATOM 842 CZ TYR A 198 -9.058 -4.616 -2.161 1.00 4.12 C ATOM 843 OH TYR A 198 -10.275 -4.091 -1.790 1.00 23.13 O ATOM 0 H TYR A 198 -4.411 -4.020 -1.614 1.00 64.02 H new ATOM 0 HA TYR A 198 -3.192 -5.747 -3.661 1.00 1.00 H new ATOM 0 HB2 TYR A 198 -5.343 -6.679 -4.308 1.00 44.43 H new ATOM 0 HB3 TYR A 198 -5.010 -7.073 -2.634 1.00 44.43 H new ATOM 0 HD1 TYR A 198 -6.269 -5.911 -0.805 1.00 21.33 H new ATOM 0 HD2 TYR A 198 -7.251 -5.291 -4.910 1.00 61.51 H new ATOM 0 HE1 TYR A 198 -8.443 -4.981 -0.149 1.00 44.11 H new ATOM 0 HE2 TYR A 198 -9.419 -4.358 -4.248 1.00 5.51 H new ATOM 0 HH TYR A 198 -10.777 -3.831 -2.591 1.00 23.13 H new ATOM 853 N ARG A 199 -4.168 -4.314 -5.546 1.00 71.42 N ATOM 854 CA ARG A 199 -4.394 -3.305 -6.590 1.00 33.22 C ATOM 855 C ARG A 199 -5.407 -3.801 -7.631 1.00 54.12 C ATOM 856 O ARG A 199 -5.533 -5.003 -7.865 1.00 44.04 O ATOM 857 CB ARG A 199 -3.067 -2.964 -7.290 1.00 63.21 C ATOM 858 CG ARG A 199 -2.325 -4.188 -7.832 1.00 33.32 C ATOM 859 CD ARG A 199 -1.036 -3.810 -8.558 1.00 62.43 C ATOM 860 NE ARG A 199 -0.214 -4.984 -8.856 1.00 73.41 N ATOM 861 CZ ARG A 199 0.408 -5.187 -9.986 1.00 20.52 C ATOM 862 NH1 ARG A 199 0.368 -4.306 -10.935 1.00 14.25 N ATOM 863 NH2 ARG A 199 1.088 -6.271 -10.163 1.00 32.34 N ATOM 0 H ARG A 199 -3.824 -5.206 -5.901 1.00 71.42 H new ATOM 0 HA ARG A 199 -4.797 -2.413 -6.111 1.00 33.22 H new ATOM 0 HB2 ARG A 199 -3.266 -2.277 -8.113 1.00 63.21 H new ATOM 0 HB3 ARG A 199 -2.420 -2.440 -6.587 1.00 63.21 H new ATOM 0 HG2 ARG A 199 -2.091 -4.862 -7.008 1.00 33.32 H new ATOM 0 HG3 ARG A 199 -2.977 -4.733 -8.514 1.00 33.32 H new ATOM 0 HD2 ARG A 199 -1.280 -3.293 -9.486 1.00 62.43 H new ATOM 0 HD3 ARG A 199 -0.465 -3.113 -7.945 1.00 62.43 H new ATOM 0 HE ARG A 199 -0.120 -5.694 -8.129 1.00 73.41 H new ATOM 0 HH11 ARG A 199 -0.154 -3.440 -10.805 1.00 14.25 H new ATOM 0 HH12 ARG A 199 0.859 -4.479 -11.812 1.00 14.25 H new ATOM 0 HH21 ARG A 199 1.139 -6.968 -9.420 1.00 32.34 H new ATOM 0 HH22 ARG A 199 1.574 -6.430 -11.046 1.00 32.34 H new ATOM 877 N ILE A 200 -6.120 -2.872 -8.262 1.00 63.03 N ATOM 878 CA ILE A 200 -7.093 -3.220 -9.302 1.00 73.13 C ATOM 879 C ILE A 200 -6.552 -2.864 -10.697 1.00 71.52 C ATOM 880 O ILE A 200 -6.616 -1.710 -11.123 1.00 61.01 O ATOM 881 CB ILE A 200 -8.447 -2.499 -9.069 1.00 72.14 C ATOM 882 CG1 ILE A 200 -8.967 -2.794 -7.650 1.00 41.22 C ATOM 883 CG2 ILE A 200 -9.477 -2.921 -10.121 1.00 71.50 C ATOM 884 CD1 ILE A 200 -10.259 -2.081 -7.298 1.00 33.02 C ATOM 0 H ILE A 200 -6.045 -1.872 -8.074 1.00 63.03 H new ATOM 0 HA ILE A 200 -7.258 -4.296 -9.247 1.00 73.13 H new ATOM 0 HB ILE A 200 -8.288 -1.425 -9.166 1.00 72.14 H new ATOM 0 HG12 ILE A 200 -9.119 -3.868 -7.547 1.00 41.22 H new ATOM 0 HG13 ILE A 200 -8.201 -2.510 -6.929 1.00 41.22 H new ATOM 0 HG21 ILE A 200 -10.418 -2.403 -9.937 1.00 71.50 H new ATOM 0 HG22 ILE A 200 -9.109 -2.664 -11.114 1.00 71.50 H new ATOM 0 HG23 ILE A 200 -9.638 -3.997 -10.061 1.00 71.50 H new ATOM 0 HD11 ILE A 200 -10.555 -2.344 -6.282 1.00 33.02 H new ATOM 0 HD12 ILE A 200 -10.110 -1.003 -7.365 1.00 33.02 H new ATOM 0 HD13 ILE A 200 -11.042 -2.383 -7.993 1.00 33.02 H new ATOM 896 N GLN A 201 -5.994 -3.854 -11.391 1.00 42.31 N ATOM 897 CA GLN A 201 -5.429 -3.646 -12.734 1.00 0.43 C ATOM 898 C GLN A 201 -6.259 -4.378 -13.797 1.00 61.11 C ATOM 899 O GLN A 201 -6.543 -5.568 -13.657 1.00 21.24 O ATOM 900 CB GLN A 201 -3.975 -4.142 -12.793 1.00 40.54 C ATOM 901 CG GLN A 201 -3.825 -5.636 -12.517 1.00 2.31 C ATOM 902 CD GLN A 201 -2.463 -6.185 -12.910 1.00 22.40 C ATOM 903 OE1 GLN A 201 -1.532 -6.210 -12.117 1.00 11.15 O ATOM 904 NE2 GLN A 201 -2.340 -6.628 -14.143 1.00 45.43 N ATOM 0 H GLN A 201 -5.918 -4.812 -11.049 1.00 42.31 H new ATOM 0 HA GLN A 201 -5.453 -2.576 -12.940 1.00 0.43 H new ATOM 0 HB2 GLN A 201 -3.564 -3.920 -13.778 1.00 40.54 H new ATOM 0 HB3 GLN A 201 -3.381 -3.586 -12.068 1.00 40.54 H new ATOM 0 HG2 GLN A 201 -3.991 -5.821 -11.456 1.00 2.31 H new ATOM 0 HG3 GLN A 201 -4.599 -6.179 -13.060 1.00 2.31 H new ATOM 0 HE21 GLN A 201 -3.136 -6.593 -14.779 1.00 45.43 H new ATOM 0 HE22 GLN A 201 -1.448 -7.007 -14.462 1.00 45.43 H new ATOM 913 N ASP A 202 -6.658 -3.664 -14.847 1.00 35.20 N ATOM 914 CA ASP A 202 -7.405 -4.268 -15.960 1.00 0.33 C ATOM 915 C ASP A 202 -8.745 -4.884 -15.483 1.00 33.32 C ATOM 916 O ASP A 202 -9.365 -5.693 -16.175 1.00 32.24 O ATOM 917 CB ASP A 202 -6.505 -5.317 -16.644 1.00 44.50 C ATOM 918 CG ASP A 202 -7.154 -6.006 -17.831 1.00 5.21 C ATOM 919 OD1 ASP A 202 -7.595 -5.305 -18.768 1.00 34.42 O ATOM 920 OD2 ASP A 202 -7.209 -7.255 -17.840 1.00 14.34 O ATOM 0 H ASP A 202 -6.479 -2.666 -14.955 1.00 35.20 H new ATOM 0 HA ASP A 202 -7.669 -3.494 -16.681 1.00 0.33 H new ATOM 0 HB2 ASP A 202 -5.587 -4.832 -16.976 1.00 44.50 H new ATOM 0 HB3 ASP A 202 -6.220 -6.071 -15.910 1.00 44.50 H new ATOM 925 N GLY A 203 -9.208 -4.458 -14.307 1.00 65.31 N ATOM 926 CA GLY A 203 -10.425 -5.021 -13.723 1.00 20.33 C ATOM 927 C GLY A 203 -10.163 -6.236 -12.836 1.00 1.30 C ATOM 928 O GLY A 203 -11.098 -6.883 -12.359 1.00 34.12 O ATOM 0 H GLY A 203 -8.763 -3.732 -13.745 1.00 65.31 H new ATOM 0 HA2 GLY A 203 -10.927 -4.252 -13.135 1.00 20.33 H new ATOM 0 HA3 GLY A 203 -11.107 -5.305 -14.525 1.00 20.33 H new ATOM 932 N GLU A 204 -8.892 -6.556 -12.624 1.00 73.42 N ATOM 933 CA GLU A 204 -8.495 -7.681 -11.771 1.00 25.11 C ATOM 934 C GLU A 204 -7.912 -7.191 -10.439 1.00 52.22 C ATOM 935 O GLU A 204 -6.973 -6.389 -10.420 1.00 31.02 O ATOM 936 CB GLU A 204 -7.442 -8.547 -12.474 1.00 0.31 C ATOM 937 CG GLU A 204 -7.854 -9.061 -13.847 1.00 51.44 C ATOM 938 CD GLU A 204 -6.808 -9.992 -14.438 1.00 71.03 C ATOM 939 OE1 GLU A 204 -5.698 -9.517 -14.757 1.00 53.14 O ATOM 940 OE2 GLU A 204 -7.070 -11.205 -14.543 1.00 12.23 O ATOM 0 H GLU A 204 -8.108 -6.049 -13.034 1.00 73.42 H new ATOM 0 HA GLU A 204 -9.392 -8.269 -11.577 1.00 25.11 H new ATOM 0 HB2 GLU A 204 -6.525 -7.967 -12.578 1.00 0.31 H new ATOM 0 HB3 GLU A 204 -7.209 -9.400 -11.837 1.00 0.31 H new ATOM 0 HG2 GLU A 204 -8.806 -9.587 -13.768 1.00 51.44 H new ATOM 0 HG3 GLU A 204 -8.011 -8.217 -14.519 1.00 51.44 H new ATOM 947 N LYS A 205 -8.456 -7.676 -9.329 1.00 35.31 N ATOM 948 CA LYS A 205 -7.899 -7.372 -8.009 1.00 33.25 C ATOM 949 C LYS A 205 -6.689 -8.274 -7.709 1.00 63.30 C ATOM 950 O LYS A 205 -6.839 -9.406 -7.245 1.00 20.40 O ATOM 951 CB LYS A 205 -8.985 -7.535 -6.934 1.00 63.42 C ATOM 952 CG LYS A 205 -10.109 -6.505 -7.051 1.00 5.42 C ATOM 953 CD LYS A 205 -11.327 -6.880 -6.209 1.00 12.01 C ATOM 954 CE LYS A 205 -10.985 -7.011 -4.729 1.00 14.20 C ATOM 955 NZ LYS A 205 -12.179 -7.350 -3.915 1.00 41.14 N ATOM 0 H LYS A 205 -9.278 -8.279 -9.312 1.00 35.31 H new ATOM 0 HA LYS A 205 -7.554 -6.338 -8.001 1.00 33.25 H new ATOM 0 HB2 LYS A 205 -9.410 -8.536 -7.005 1.00 63.42 H new ATOM 0 HB3 LYS A 205 -8.527 -7.452 -5.948 1.00 63.42 H new ATOM 0 HG2 LYS A 205 -9.739 -5.529 -6.737 1.00 5.42 H new ATOM 0 HG3 LYS A 205 -10.407 -6.412 -8.095 1.00 5.42 H new ATOM 0 HD2 LYS A 205 -12.101 -6.123 -6.336 1.00 12.01 H new ATOM 0 HD3 LYS A 205 -11.740 -7.822 -6.570 1.00 12.01 H new ATOM 0 HE2 LYS A 205 -10.225 -7.782 -4.598 1.00 14.20 H new ATOM 0 HE3 LYS A 205 -10.555 -6.076 -4.371 1.00 14.20 H new ATOM 0 HZ1 LYS A 205 -11.906 -7.430 -2.915 1.00 41.14 H new ATOM 0 HZ2 LYS A 205 -12.894 -6.602 -4.020 1.00 41.14 H new ATOM 0 HZ3 LYS A 205 -12.575 -8.255 -4.240 1.00 41.14 H new ATOM 969 N LYS A 206 -5.493 -7.771 -8.004 1.00 52.21 N ATOM 970 CA LYS A 206 -4.247 -8.518 -7.792 1.00 34.23 C ATOM 971 C LYS A 206 -3.615 -8.181 -6.428 1.00 74.23 C ATOM 972 O LYS A 206 -3.265 -7.027 -6.168 1.00 24.50 O ATOM 973 CB LYS A 206 -3.241 -8.209 -8.916 1.00 11.54 C ATOM 974 CG LYS A 206 -3.556 -8.874 -10.260 1.00 61.02 C ATOM 975 CD LYS A 206 -3.419 -10.396 -10.187 1.00 60.11 C ATOM 976 CE LYS A 206 -3.360 -11.047 -11.570 1.00 64.24 C ATOM 977 NZ LYS A 206 -4.580 -10.787 -12.379 1.00 50.52 N ATOM 0 H LYS A 206 -5.356 -6.839 -8.395 1.00 52.21 H new ATOM 0 HA LYS A 206 -4.493 -9.580 -7.805 1.00 34.23 H new ATOM 0 HB2 LYS A 206 -3.200 -7.130 -9.061 1.00 11.54 H new ATOM 0 HB3 LYS A 206 -2.249 -8.525 -8.594 1.00 11.54 H new ATOM 0 HG2 LYS A 206 -4.570 -8.615 -10.565 1.00 61.02 H new ATOM 0 HG3 LYS A 206 -2.884 -8.485 -11.025 1.00 61.02 H new ATOM 0 HD2 LYS A 206 -2.517 -10.650 -9.631 1.00 60.11 H new ATOM 0 HD3 LYS A 206 -4.262 -10.807 -9.631 1.00 60.11 H new ATOM 0 HE2 LYS A 206 -2.487 -10.674 -12.106 1.00 64.24 H new ATOM 0 HE3 LYS A 206 -3.227 -12.123 -11.455 1.00 64.24 H new ATOM 0 HZ1 LYS A 206 -4.997 -11.691 -12.679 1.00 50.52 H new ATOM 0 HZ2 LYS A 206 -5.270 -10.260 -11.807 1.00 50.52 H new ATOM 0 HZ3 LYS A 206 -4.327 -10.227 -13.218 1.00 50.52 H new ATOM 991 N PRO A 207 -3.474 -9.184 -5.534 1.00 1.40 N ATOM 992 CA PRO A 207 -2.790 -9.006 -4.238 1.00 51.25 C ATOM 993 C PRO A 207 -1.320 -8.569 -4.400 1.00 64.43 C ATOM 994 O PRO A 207 -0.655 -8.928 -5.374 1.00 43.00 O ATOM 995 CB PRO A 207 -2.874 -10.399 -3.590 1.00 14.51 C ATOM 996 CG PRO A 207 -4.007 -11.079 -4.285 1.00 14.12 C ATOM 997 CD PRO A 207 -3.996 -10.553 -5.694 1.00 30.14 C ATOM 0 HA PRO A 207 -3.252 -8.219 -3.642 1.00 51.25 H new ATOM 0 HB2 PRO A 207 -1.943 -10.951 -3.719 1.00 14.51 H new ATOM 0 HB3 PRO A 207 -3.055 -10.326 -2.518 1.00 14.51 H new ATOM 0 HG2 PRO A 207 -3.882 -12.162 -4.270 1.00 14.12 H new ATOM 0 HG3 PRO A 207 -4.955 -10.861 -3.793 1.00 14.12 H new ATOM 0 HD2 PRO A 207 -3.360 -11.154 -6.344 1.00 30.14 H new ATOM 0 HD3 PRO A 207 -4.994 -10.556 -6.133 1.00 30.14 H new ATOM 1005 N ILE A 208 -0.821 -7.797 -3.439 1.00 20.50 N ATOM 1006 CA ILE A 208 0.545 -7.263 -3.497 1.00 32.14 C ATOM 1007 C ILE A 208 1.395 -7.779 -2.323 1.00 71.52 C ATOM 1008 O ILE A 208 0.877 -8.045 -1.237 1.00 32.15 O ATOM 1009 CB ILE A 208 0.530 -5.711 -3.464 1.00 41.12 C ATOM 1010 CG1 ILE A 208 -0.417 -5.158 -4.541 1.00 1.32 C ATOM 1011 CG2 ILE A 208 1.942 -5.148 -3.646 1.00 41.22 C ATOM 1012 CD1 ILE A 208 -0.579 -3.654 -4.492 1.00 35.00 C ATOM 0 H ILE A 208 -1.341 -7.524 -2.605 1.00 20.50 H new ATOM 0 HA ILE A 208 0.986 -7.605 -4.434 1.00 32.14 H new ATOM 0 HB ILE A 208 0.163 -5.395 -2.487 1.00 41.12 H new ATOM 0 HG12 ILE A 208 -0.041 -5.443 -5.524 1.00 1.32 H new ATOM 0 HG13 ILE A 208 -1.396 -5.624 -4.426 1.00 1.32 H new ATOM 0 HG21 ILE A 208 1.906 -4.059 -3.619 1.00 41.22 H new ATOM 0 HG22 ILE A 208 2.584 -5.509 -2.843 1.00 41.22 H new ATOM 0 HG23 ILE A 208 2.343 -5.474 -4.606 1.00 41.22 H new ATOM 0 HD11 ILE A 208 -1.261 -3.336 -5.281 1.00 35.00 H new ATOM 0 HD12 ILE A 208 -0.984 -3.363 -3.523 1.00 35.00 H new ATOM 0 HD13 ILE A 208 0.391 -3.179 -4.637 1.00 35.00 H new ATOM 1024 N GLY A 209 2.694 -7.938 -2.555 1.00 0.50 N ATOM 1025 CA GLY A 209 3.607 -8.316 -1.482 1.00 51.24 C ATOM 1026 C GLY A 209 4.323 -7.109 -0.885 1.00 45.32 C ATOM 1027 O GLY A 209 4.735 -6.203 -1.608 1.00 61.30 O ATOM 0 H GLY A 209 3.135 -7.813 -3.466 1.00 0.50 H new ATOM 0 HA2 GLY A 209 3.051 -8.831 -0.699 1.00 51.24 H new ATOM 0 HA3 GLY A 209 4.344 -9.021 -1.866 1.00 51.24 H new ATOM 1031 N TRP A 210 4.467 -7.086 0.438 1.00 32.34 N ATOM 1032 CA TRP A 210 5.164 -5.984 1.119 1.00 64.21 C ATOM 1033 C TRP A 210 6.639 -5.900 0.693 1.00 14.54 C ATOM 1034 O TRP A 210 7.268 -4.844 0.786 1.00 13.44 O ATOM 1035 CB TRP A 210 5.051 -6.146 2.639 1.00 62.10 C ATOM 1036 CG TRP A 210 3.642 -6.004 3.138 1.00 53.13 C ATOM 1037 CD1 TRP A 210 2.719 -6.997 3.311 1.00 15.25 C ATOM 1038 CD2 TRP A 210 2.990 -4.787 3.514 1.00 70.45 C ATOM 1039 NE1 TRP A 210 1.539 -6.467 3.777 1.00 33.24 N ATOM 1040 CE2 TRP A 210 1.682 -5.113 3.909 1.00 24.32 C ATOM 1041 CE3 TRP A 210 3.392 -3.450 3.555 1.00 61.34 C ATOM 1042 CZ2 TRP A 210 0.773 -4.156 4.342 1.00 41.20 C ATOM 1043 CZ3 TRP A 210 2.491 -2.498 3.983 1.00 71.21 C ATOM 1044 CH2 TRP A 210 1.192 -2.854 4.371 1.00 12.04 C ATOM 0 H TRP A 210 4.114 -7.811 1.062 1.00 32.34 H new ATOM 0 HA TRP A 210 4.684 -5.051 0.825 1.00 64.21 H new ATOM 0 HB2 TRP A 210 5.435 -7.125 2.925 1.00 62.10 H new ATOM 0 HB3 TRP A 210 5.681 -5.402 3.127 1.00 62.10 H new ATOM 0 HD1 TRP A 210 2.891 -8.044 3.111 1.00 15.25 H new ATOM 0 HE1 TRP A 210 0.694 -6.997 3.990 1.00 33.24 H new ATOM 0 HE3 TRP A 210 4.391 -3.167 3.257 1.00 61.34 H new ATOM 0 HZ2 TRP A 210 -0.227 -4.430 4.644 1.00 41.20 H new ATOM 0 HZ3 TRP A 210 2.791 -1.461 4.020 1.00 71.21 H new ATOM 0 HH2 TRP A 210 0.508 -2.085 4.699 1.00 12.04 H new ATOM 1055 N ASP A 211 7.173 -7.020 0.217 1.00 41.52 N ATOM 1056 CA ASP A 211 8.550 -7.089 -0.282 1.00 42.42 C ATOM 1057 C ASP A 211 8.634 -6.787 -1.794 1.00 34.04 C ATOM 1058 O ASP A 211 9.652 -7.057 -2.439 1.00 22.21 O ATOM 1059 CB ASP A 211 9.145 -8.469 0.041 1.00 32.43 C ATOM 1060 CG ASP A 211 8.239 -9.619 -0.373 1.00 72.24 C ATOM 1061 OD1 ASP A 211 7.148 -9.766 0.221 1.00 21.13 O ATOM 1062 OD2 ASP A 211 8.614 -10.387 -1.282 1.00 2.31 O ATOM 0 H ASP A 211 6.669 -7.905 0.164 1.00 41.52 H new ATOM 0 HA ASP A 211 9.135 -6.319 0.222 1.00 42.42 H new ATOM 0 HB2 ASP A 211 10.106 -8.571 -0.463 1.00 32.43 H new ATOM 0 HB3 ASP A 211 9.338 -8.534 1.112 1.00 32.43 H new ATOM 1067 N THR A 212 7.563 -6.217 -2.353 1.00 23.12 N ATOM 1068 CA THR A 212 7.548 -5.772 -3.760 1.00 74.12 C ATOM 1069 C THR A 212 7.871 -4.270 -3.866 1.00 72.11 C ATOM 1070 O THR A 212 7.537 -3.495 -2.971 1.00 14.32 O ATOM 1071 CB THR A 212 6.168 -6.036 -4.421 1.00 55.41 C ATOM 1072 OG1 THR A 212 5.829 -7.428 -4.324 1.00 11.23 O ATOM 1073 CG2 THR A 212 6.156 -5.614 -5.891 1.00 3.20 C ATOM 0 H THR A 212 6.689 -6.050 -1.855 1.00 23.12 H new ATOM 0 HA THR A 212 8.312 -6.347 -4.284 1.00 74.12 H new ATOM 0 HB THR A 212 5.431 -5.437 -3.886 1.00 55.41 H new ATOM 0 HG1 THR A 212 4.956 -7.582 -4.742 1.00 11.23 H new ATOM 0 HG21 THR A 212 5.174 -5.814 -6.319 1.00 3.20 H new ATOM 0 HG22 THR A 212 6.374 -4.549 -5.965 1.00 3.20 H new ATOM 0 HG23 THR A 212 6.912 -6.178 -6.438 1.00 3.20 H new ATOM 1081 N ASP A 213 8.528 -3.866 -4.955 1.00 72.05 N ATOM 1082 CA ASP A 213 8.865 -2.452 -5.181 1.00 41.42 C ATOM 1083 C ASP A 213 7.605 -1.584 -5.366 1.00 44.00 C ATOM 1084 O ASP A 213 6.758 -1.862 -6.218 1.00 55.30 O ATOM 1085 CB ASP A 213 9.766 -2.313 -6.412 1.00 33.24 C ATOM 1086 CG ASP A 213 11.038 -3.132 -6.296 1.00 12.33 C ATOM 1087 OD1 ASP A 213 10.981 -4.355 -6.535 1.00 2.03 O ATOM 1088 OD2 ASP A 213 12.100 -2.557 -5.973 1.00 44.30 O ATOM 0 H ASP A 213 8.839 -4.495 -5.696 1.00 72.05 H new ATOM 0 HA ASP A 213 9.392 -2.098 -4.295 1.00 41.42 H new ATOM 0 HB2 ASP A 213 9.215 -2.627 -7.299 1.00 33.24 H new ATOM 0 HB3 ASP A 213 10.025 -1.264 -6.552 1.00 33.24 H new ATOM 1093 N ILE A 214 7.506 -0.517 -4.574 1.00 63.33 N ATOM 1094 CA ILE A 214 6.370 0.415 -4.642 1.00 3.53 C ATOM 1095 C ILE A 214 6.286 1.100 -6.024 1.00 0.13 C ATOM 1096 O ILE A 214 5.229 1.580 -6.432 1.00 32.24 O ATOM 1097 CB ILE A 214 6.465 1.488 -3.518 1.00 22.15 C ATOM 1098 CG1 ILE A 214 5.213 2.387 -3.492 1.00 24.02 C ATOM 1099 CG2 ILE A 214 7.729 2.332 -3.678 1.00 21.34 C ATOM 1100 CD1 ILE A 214 3.942 1.658 -3.105 1.00 41.50 C ATOM 0 H ILE A 214 8.203 -0.271 -3.871 1.00 63.33 H new ATOM 0 HA ILE A 214 5.461 -0.168 -4.494 1.00 3.53 H new ATOM 0 HB ILE A 214 6.519 0.963 -2.565 1.00 22.15 H new ATOM 0 HG12 ILE A 214 5.379 3.205 -2.791 1.00 24.02 H new ATOM 0 HG13 ILE A 214 5.078 2.834 -4.477 1.00 24.02 H new ATOM 0 HG21 ILE A 214 7.774 3.075 -2.882 1.00 21.34 H new ATOM 0 HG22 ILE A 214 8.606 1.687 -3.623 1.00 21.34 H new ATOM 0 HG23 ILE A 214 7.710 2.837 -4.644 1.00 21.34 H new ATOM 0 HD11 ILE A 214 3.106 2.357 -3.109 1.00 41.50 H new ATOM 0 HD12 ILE A 214 3.750 0.858 -3.820 1.00 41.50 H new ATOM 0 HD13 ILE A 214 4.055 1.234 -2.107 1.00 41.50 H new ATOM 1112 N SER A 215 7.404 1.108 -6.752 1.00 44.01 N ATOM 1113 CA SER A 215 7.465 1.704 -8.100 1.00 62.44 C ATOM 1114 C SER A 215 6.495 1.015 -9.077 1.00 52.52 C ATOM 1115 O SER A 215 6.102 1.598 -10.089 1.00 24.23 O ATOM 1116 CB SER A 215 8.892 1.622 -8.660 1.00 10.54 C ATOM 1117 OG SER A 215 9.333 0.276 -8.738 1.00 73.24 O ATOM 0 H SER A 215 8.287 0.708 -6.434 1.00 44.01 H new ATOM 0 HA SER A 215 7.167 2.748 -8.001 1.00 62.44 H new ATOM 0 HB2 SER A 215 8.924 2.076 -9.650 1.00 10.54 H new ATOM 0 HB3 SER A 215 9.569 2.194 -8.025 1.00 10.54 H new ATOM 0 HG SER A 215 10.244 0.251 -9.099 1.00 73.24 H new ATOM 1123 N TRP A 216 6.125 -0.229 -8.783 1.00 43.42 N ATOM 1124 CA TRP A 216 5.150 -0.970 -9.601 1.00 11.15 C ATOM 1125 C TRP A 216 3.730 -0.401 -9.449 1.00 33.22 C ATOM 1126 O TRP A 216 2.864 -0.615 -10.302 1.00 43.45 O ATOM 1127 CB TRP A 216 5.154 -2.455 -9.211 1.00 42.24 C ATOM 1128 CG TRP A 216 6.373 -3.200 -9.670 1.00 1.43 C ATOM 1129 CD1 TRP A 216 7.646 -3.073 -9.196 1.00 3.04 C ATOM 1130 CD2 TRP A 216 6.422 -4.198 -10.694 1.00 4.24 C ATOM 1131 NE1 TRP A 216 8.485 -3.930 -9.866 1.00 73.22 N ATOM 1132 CE2 TRP A 216 7.757 -4.630 -10.790 1.00 14.41 C ATOM 1133 CE3 TRP A 216 5.466 -4.765 -11.540 1.00 32.20 C ATOM 1134 CZ2 TRP A 216 8.158 -5.603 -11.698 1.00 23.13 C ATOM 1135 CZ3 TRP A 216 5.865 -5.731 -12.442 1.00 75.40 C ATOM 1136 CH2 TRP A 216 7.202 -6.143 -12.514 1.00 53.02 C ATOM 0 H TRP A 216 6.483 -0.752 -7.984 1.00 43.42 H new ATOM 0 HA TRP A 216 5.447 -0.862 -10.644 1.00 11.15 H new ATOM 0 HB2 TRP A 216 5.077 -2.536 -8.127 1.00 42.24 H new ATOM 0 HB3 TRP A 216 4.269 -2.933 -9.630 1.00 42.24 H new ATOM 0 HD1 TRP A 216 7.950 -2.398 -8.410 1.00 3.04 H new ATOM 0 HE1 TRP A 216 9.487 -4.029 -9.702 1.00 73.22 H new ATOM 0 HE3 TRP A 216 4.433 -4.453 -11.489 1.00 32.20 H new ATOM 0 HZ2 TRP A 216 9.188 -5.922 -11.757 1.00 23.13 H new ATOM 0 HZ3 TRP A 216 5.135 -6.176 -13.102 1.00 75.40 H new ATOM 0 HH2 TRP A 216 7.484 -6.902 -13.228 1.00 53.02 H new ATOM 1147 N LEU A 217 3.507 0.332 -8.363 1.00 30.30 N ATOM 1148 CA LEU A 217 2.176 0.844 -8.016 1.00 20.30 C ATOM 1149 C LEU A 217 2.052 2.354 -8.303 1.00 61.13 C ATOM 1150 O LEU A 217 1.070 2.994 -7.928 1.00 23.03 O ATOM 1151 CB LEU A 217 1.913 0.551 -6.532 1.00 13.52 C ATOM 1152 CG LEU A 217 2.278 -0.882 -6.090 1.00 54.00 C ATOM 1153 CD1 LEU A 217 2.043 -1.081 -4.600 1.00 40.32 C ATOM 1154 CD2 LEU A 217 1.501 -1.916 -6.898 1.00 62.32 C ATOM 0 H LEU A 217 4.237 0.590 -7.698 1.00 30.30 H new ATOM 0 HA LEU A 217 1.431 0.344 -8.635 1.00 20.30 H new ATOM 0 HB2 LEU A 217 2.480 1.260 -5.928 1.00 13.52 H new ATOM 0 HB3 LEU A 217 0.858 0.725 -6.321 1.00 13.52 H new ATOM 0 HG LEU A 217 3.341 -1.023 -6.283 1.00 54.00 H new ATOM 0 HD11 LEU A 217 2.310 -2.101 -4.323 1.00 40.32 H new ATOM 0 HD12 LEU A 217 2.658 -0.379 -4.038 1.00 40.32 H new ATOM 0 HD13 LEU A 217 0.992 -0.906 -4.371 1.00 40.32 H new ATOM 0 HD21 LEU A 217 1.776 -2.918 -6.567 1.00 62.32 H new ATOM 0 HD22 LEU A 217 0.432 -1.766 -6.749 1.00 62.32 H new ATOM 0 HD23 LEU A 217 1.739 -1.805 -7.956 1.00 62.32 H new ATOM 1166 N THR A 218 3.052 2.909 -8.989 1.00 43.25 N ATOM 1167 CA THR A 218 3.091 4.347 -9.308 1.00 65.32 C ATOM 1168 C THR A 218 1.847 4.816 -10.081 1.00 72.04 C ATOM 1169 O THR A 218 1.670 4.481 -11.255 1.00 75.31 O ATOM 1170 CB THR A 218 4.341 4.699 -10.149 1.00 2.43 C ATOM 1171 OG1 THR A 218 5.534 4.253 -9.487 1.00 50.32 O ATOM 1172 CG2 THR A 218 4.430 6.200 -10.401 1.00 33.44 C ATOM 0 H THR A 218 3.854 2.385 -9.339 1.00 43.25 H new ATOM 0 HA THR A 218 3.123 4.861 -8.347 1.00 65.32 H new ATOM 0 HB THR A 218 4.248 4.189 -11.108 1.00 2.43 H new ATOM 0 HG1 THR A 218 5.705 3.316 -9.718 1.00 50.32 H new ATOM 0 HG21 THR A 218 5.318 6.417 -10.994 1.00 33.44 H new ATOM 0 HG22 THR A 218 3.543 6.532 -10.941 1.00 33.44 H new ATOM 0 HG23 THR A 218 4.493 6.726 -9.448 1.00 33.44 H new ATOM 1180 N GLY A 219 0.998 5.605 -9.425 1.00 24.12 N ATOM 1181 CA GLY A 219 -0.184 6.158 -10.086 1.00 13.24 C ATOM 1182 C GLY A 219 -1.462 5.355 -9.847 1.00 72.32 C ATOM 1183 O GLY A 219 -2.525 5.699 -10.374 1.00 3.04 O ATOM 0 H GLY A 219 1.104 5.874 -8.447 1.00 24.12 H new ATOM 0 HA2 GLY A 219 -0.338 7.179 -9.738 1.00 13.24 H new ATOM 0 HA3 GLY A 219 0.004 6.212 -11.158 1.00 13.24 H new ATOM 1187 N GLU A 220 -1.368 4.288 -9.057 1.00 4.43 N ATOM 1188 CA GLU A 220 -2.534 3.450 -8.747 1.00 53.14 C ATOM 1189 C GLU A 220 -3.070 3.718 -7.333 1.00 13.51 C ATOM 1190 O GLU A 220 -2.364 4.250 -6.475 1.00 35.13 O ATOM 1191 CB GLU A 220 -2.176 1.964 -8.901 1.00 72.54 C ATOM 1192 CG GLU A 220 -1.829 1.556 -10.330 1.00 53.24 C ATOM 1193 CD GLU A 220 -2.968 1.820 -11.305 1.00 24.22 C ATOM 1194 OE1 GLU A 220 -4.005 1.129 -11.217 1.00 23.24 O ATOM 1195 OE2 GLU A 220 -2.838 2.719 -12.163 1.00 51.51 O ATOM 0 H GLU A 220 -0.500 3.980 -8.618 1.00 4.43 H new ATOM 0 HA GLU A 220 -3.321 3.708 -9.455 1.00 53.14 H new ATOM 0 HB2 GLU A 220 -1.330 1.735 -8.253 1.00 72.54 H new ATOM 0 HB3 GLU A 220 -3.015 1.361 -8.555 1.00 72.54 H new ATOM 0 HG2 GLU A 220 -0.943 2.101 -10.655 1.00 53.24 H new ATOM 0 HG3 GLU A 220 -1.576 0.496 -10.350 1.00 53.24 H new ATOM 1202 N GLU A 221 -4.333 3.361 -7.105 1.00 3.41 N ATOM 1203 CA GLU A 221 -4.958 3.495 -5.784 1.00 44.25 C ATOM 1204 C GLU A 221 -5.101 2.121 -5.109 1.00 1.23 C ATOM 1205 O GLU A 221 -5.850 1.257 -5.575 1.00 34.24 O ATOM 1206 CB GLU A 221 -6.330 4.171 -5.910 1.00 65.04 C ATOM 1207 CG GLU A 221 -6.267 5.570 -6.516 1.00 51.20 C ATOM 1208 CD GLU A 221 -7.632 6.229 -6.649 1.00 70.30 C ATOM 1209 OE1 GLU A 221 -8.373 5.883 -7.594 1.00 13.45 O ATOM 1210 OE2 GLU A 221 -7.965 7.105 -5.819 1.00 12.53 O ATOM 0 H GLU A 221 -4.949 2.974 -7.820 1.00 3.41 H new ATOM 0 HA GLU A 221 -4.316 4.118 -5.162 1.00 44.25 H new ATOM 0 HB2 GLU A 221 -6.979 3.547 -6.524 1.00 65.04 H new ATOM 0 HB3 GLU A 221 -6.788 4.232 -4.923 1.00 65.04 H new ATOM 0 HG2 GLU A 221 -5.626 6.198 -5.897 1.00 51.20 H new ATOM 0 HG3 GLU A 221 -5.802 5.512 -7.500 1.00 51.20 H new ATOM 1217 N LEU A 222 -4.389 1.937 -4.005 1.00 5.02 N ATOM 1218 CA LEU A 222 -4.331 0.648 -3.307 1.00 63.11 C ATOM 1219 C LEU A 222 -5.390 0.553 -2.202 1.00 21.34 C ATOM 1220 O LEU A 222 -5.859 1.562 -1.682 1.00 5.23 O ATOM 1221 CB LEU A 222 -2.939 0.466 -2.685 1.00 53.42 C ATOM 1222 CG LEU A 222 -1.756 0.713 -3.631 1.00 43.03 C ATOM 1223 CD1 LEU A 222 -0.437 0.577 -2.875 1.00 33.42 C ATOM 1224 CD2 LEU A 222 -1.807 -0.242 -4.824 1.00 13.24 C ATOM 0 H LEU A 222 -3.835 2.671 -3.565 1.00 5.02 H new ATOM 0 HA LEU A 222 -4.529 -0.137 -4.037 1.00 63.11 H new ATOM 0 HB2 LEU A 222 -2.849 1.142 -1.834 1.00 53.42 H new ATOM 0 HB3 LEU A 222 -2.864 -0.549 -2.295 1.00 53.42 H new ATOM 0 HG LEU A 222 -1.826 1.730 -4.016 1.00 43.03 H new ATOM 0 HD11 LEU A 222 0.394 0.755 -3.558 1.00 33.42 H new ATOM 0 HD12 LEU A 222 -0.404 1.307 -2.066 1.00 33.42 H new ATOM 0 HD13 LEU A 222 -0.357 -0.428 -2.460 1.00 33.42 H new ATOM 0 HD21 LEU A 222 -0.959 -0.049 -5.481 1.00 13.24 H new ATOM 0 HD22 LEU A 222 -1.763 -1.271 -4.468 1.00 13.24 H new ATOM 0 HD23 LEU A 222 -2.735 -0.087 -5.374 1.00 13.24 H new ATOM 1236 N HIS A 223 -5.764 -0.670 -1.849 1.00 35.11 N ATOM 1237 CA HIS A 223 -6.708 -0.907 -0.753 1.00 4.30 C ATOM 1238 C HIS A 223 -6.137 -1.944 0.223 1.00 72.14 C ATOM 1239 O HIS A 223 -5.634 -2.987 -0.198 1.00 43.32 O ATOM 1240 CB HIS A 223 -8.057 -1.380 -1.305 1.00 53.31 C ATOM 1241 CG HIS A 223 -8.696 -0.407 -2.253 1.00 64.42 C ATOM 1242 ND1 HIS A 223 -9.629 0.530 -1.860 1.00 53.15 N ATOM 1243 CD2 HIS A 223 -8.530 -0.228 -3.588 1.00 63.55 C ATOM 1244 CE1 HIS A 223 -10.006 1.238 -2.904 1.00 14.12 C ATOM 1245 NE2 HIS A 223 -9.356 0.800 -3.962 1.00 21.04 N ATOM 0 H HIS A 223 -5.429 -1.519 -2.305 1.00 35.11 H new ATOM 0 HA HIS A 223 -6.863 0.029 -0.216 1.00 4.30 H new ATOM 0 HB2 HIS A 223 -7.917 -2.333 -1.816 1.00 53.31 H new ATOM 0 HB3 HIS A 223 -8.737 -1.562 -0.472 1.00 53.31 H new ATOM 0 HD2 HIS A 223 -7.871 -0.790 -4.234 1.00 63.55 H new ATOM 0 HE1 HIS A 223 -10.727 2.042 -2.894 1.00 14.12 H new ATOM 0 HE2 HIS A 223 -9.452 1.167 -4.909 1.00 21.04 H new ATOM 1254 N VAL A 224 -6.199 -1.648 1.519 1.00 23.33 N ATOM 1255 CA VAL A 224 -5.624 -2.530 2.543 1.00 24.14 C ATOM 1256 C VAL A 224 -6.708 -3.228 3.386 1.00 72.35 C ATOM 1257 O VAL A 224 -7.558 -2.572 3.991 1.00 42.11 O ATOM 1258 CB VAL A 224 -4.677 -1.740 3.479 1.00 61.45 C ATOM 1259 CG1 VAL A 224 -4.057 -2.652 4.539 1.00 2.33 C ATOM 1260 CG2 VAL A 224 -3.592 -1.033 2.668 1.00 55.13 C ATOM 0 H VAL A 224 -6.640 -0.806 1.889 1.00 23.33 H new ATOM 0 HA VAL A 224 -5.060 -3.297 2.013 1.00 24.14 H new ATOM 0 HB VAL A 224 -5.268 -0.985 3.998 1.00 61.45 H new ATOM 0 HG11 VAL A 224 -3.397 -2.068 5.181 1.00 2.33 H new ATOM 0 HG12 VAL A 224 -4.847 -3.099 5.142 1.00 2.33 H new ATOM 0 HG13 VAL A 224 -3.484 -3.440 4.051 1.00 2.33 H new ATOM 0 HG21 VAL A 224 -2.935 -0.482 3.341 1.00 55.13 H new ATOM 0 HG22 VAL A 224 -3.010 -1.772 2.117 1.00 55.13 H new ATOM 0 HG23 VAL A 224 -4.056 -0.340 1.966 1.00 55.13 H new ATOM 1270 N GLU A 225 -6.665 -4.559 3.413 1.00 32.10 N ATOM 1271 CA GLU A 225 -7.604 -5.369 4.204 1.00 62.03 C ATOM 1272 C GLU A 225 -6.958 -5.847 5.519 1.00 21.00 C ATOM 1273 O GLU A 225 -5.731 -5.925 5.630 1.00 52.15 O ATOM 1274 CB GLU A 225 -8.063 -6.589 3.390 1.00 2.04 C ATOM 1275 CG GLU A 225 -8.697 -6.248 2.043 1.00 40.02 C ATOM 1276 CD GLU A 225 -9.962 -5.410 2.165 1.00 5.34 C ATOM 1277 OE1 GLU A 225 -10.974 -5.924 2.688 1.00 70.41 O ATOM 1278 OE2 GLU A 225 -9.964 -4.241 1.720 1.00 5.21 O ATOM 0 H GLU A 225 -5.983 -5.109 2.891 1.00 32.10 H new ATOM 0 HA GLU A 225 -8.463 -4.743 4.446 1.00 62.03 H new ATOM 0 HB2 GLU A 225 -7.206 -7.240 3.220 1.00 2.04 H new ATOM 0 HB3 GLU A 225 -8.781 -7.156 3.982 1.00 2.04 H new ATOM 0 HG2 GLU A 225 -7.971 -5.710 1.434 1.00 40.02 H new ATOM 0 HG3 GLU A 225 -8.932 -7.173 1.516 1.00 40.02 H new ATOM 1285 N VAL A 226 -7.786 -6.172 6.512 1.00 30.01 N ATOM 1286 CA VAL A 226 -7.299 -6.702 7.794 1.00 62.33 C ATOM 1287 C VAL A 226 -7.318 -8.241 7.798 1.00 42.04 C ATOM 1288 O VAL A 226 -8.324 -8.860 7.443 1.00 35.41 O ATOM 1289 CB VAL A 226 -8.148 -6.178 8.982 1.00 43.33 C ATOM 1290 CG1 VAL A 226 -7.611 -6.707 10.314 1.00 25.24 C ATOM 1291 CG2 VAL A 226 -8.197 -4.647 8.980 1.00 15.31 C ATOM 0 H VAL A 226 -8.800 -6.079 6.457 1.00 30.01 H new ATOM 0 HA VAL A 226 -6.273 -6.354 7.913 1.00 62.33 H new ATOM 0 HB VAL A 226 -9.166 -6.549 8.861 1.00 43.33 H new ATOM 0 HG11 VAL A 226 -8.224 -6.325 11.131 1.00 25.24 H new ATOM 0 HG12 VAL A 226 -7.645 -7.796 10.313 1.00 25.24 H new ATOM 0 HG13 VAL A 226 -6.581 -6.377 10.448 1.00 25.24 H new ATOM 0 HG21 VAL A 226 -8.797 -4.301 9.821 1.00 15.31 H new ATOM 0 HG22 VAL A 226 -7.186 -4.250 9.069 1.00 15.31 H new ATOM 0 HG23 VAL A 226 -8.643 -4.298 8.048 1.00 15.31 H new ATOM 1301 N LEU A 227 -6.204 -8.855 8.196 1.00 5.10 N ATOM 1302 CA LEU A 227 -6.090 -10.320 8.218 1.00 63.41 C ATOM 1303 C LEU A 227 -6.707 -10.923 9.495 1.00 3.22 C ATOM 1304 O LEU A 227 -7.763 -11.555 9.444 1.00 23.14 O ATOM 1305 CB LEU A 227 -4.617 -10.739 8.090 1.00 55.41 C ATOM 1306 CG LEU A 227 -3.914 -10.286 6.796 1.00 42.34 C ATOM 1307 CD1 LEU A 227 -2.457 -10.740 6.783 1.00 53.13 C ATOM 1308 CD2 LEU A 227 -4.657 -10.818 5.573 1.00 22.22 C ATOM 0 H LEU A 227 -5.366 -8.364 8.508 1.00 5.10 H new ATOM 0 HA LEU A 227 -6.650 -10.708 7.367 1.00 63.41 H new ATOM 0 HB2 LEU A 227 -4.067 -10.339 8.942 1.00 55.41 H new ATOM 0 HB3 LEU A 227 -4.558 -11.826 8.155 1.00 55.41 H new ATOM 0 HG LEU A 227 -3.928 -9.197 6.761 1.00 42.34 H new ATOM 0 HD11 LEU A 227 -1.981 -10.409 5.860 1.00 53.13 H new ATOM 0 HD12 LEU A 227 -1.934 -10.308 7.636 1.00 53.13 H new ATOM 0 HD13 LEU A 227 -2.414 -11.827 6.843 1.00 53.13 H new ATOM 0 HD21 LEU A 227 -4.148 -10.489 4.667 1.00 22.22 H new ATOM 0 HD22 LEU A 227 -4.676 -11.907 5.604 1.00 22.22 H new ATOM 0 HD23 LEU A 227 -5.678 -10.437 5.574 1.00 22.22 H new