USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 578 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 62 HIS : no HE2:sc= -5.33! C(o=-5.4!,f=-8.5!) USER MOD Set 1.2: A 96 GLN : amide:sc= -0.0438 K(o=-5.4,f=-7!) USER MOD Single : A 58 SER OG : rot 29:sc= 0.0441 USER MOD Single : A 65 LYS NZ :NH3+ 152:sc= -0.228 (180deg=-1.06) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0708 USER MOD Single : A 87 ASN : amide:sc= -0.45 K(o=-0.45,f=-5.3!) USER MOD Single : A 90 MET CE :methyl -141:sc= -0.12 (180deg=-2.63!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 81:sc= 0.0704 USER MOD Single : A 110 MET CE :methyl -167:sc= 0 (180deg=-0.166) USER MOD Single : A 112 ASN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -5.76! C(o=-5.8!,f=-7.8!) USER MOD Single : A 123 ASN : amide:sc= -0.0776 X(o=-0.078,f=-0.099) USER MOD Single : A 124 GLN : amide:sc= -0.949 X(o=-0.95,f=-0.85) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 141:sc= 0.372 USER MOD ----------------------------------------------------------------- ATOM 160 N SER A 58 -2.621 10.021 1.454 1.00 0.00 N ATOM 161 CA SER A 58 -1.299 9.990 2.068 1.00 0.00 C ATOM 162 C SER A 58 -0.265 9.418 1.103 1.00 0.00 C ATOM 163 O SER A 58 -0.572 8.544 0.293 1.00 0.00 O ATOM 164 CB SER A 58 -1.329 9.160 3.352 1.00 0.00 C ATOM 165 OG SER A 58 -2.212 9.726 4.304 1.00 0.00 O ATOM 0 HA SER A 58 -1.015 11.014 2.312 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.641 8.141 3.123 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.325 9.099 3.773 1.00 0.00 H new ATOM 0 HG SER A 58 -2.932 10.202 3.840 1.00 0.00 H new ATOM 171 N ARG A 59 0.963 9.920 1.196 1.00 0.00 N ATOM 172 CA ARG A 59 2.043 9.459 0.331 1.00 0.00 C ATOM 173 C ARG A 59 2.280 7.963 0.506 1.00 0.00 C ATOM 174 O ARG A 59 2.439 7.230 -0.471 1.00 0.00 O ATOM 175 CB ARG A 59 3.330 10.231 0.632 1.00 0.00 C ATOM 176 CG ARG A 59 3.223 11.723 0.364 1.00 0.00 C ATOM 177 CD ARG A 59 4.126 12.522 1.291 1.00 0.00 C ATOM 178 NE ARG A 59 5.523 12.109 1.184 1.00 0.00 N ATOM 179 CZ ARG A 59 6.362 12.590 0.274 1.00 0.00 C ATOM 180 NH1 ARG A 59 5.949 13.494 -0.604 1.00 0.00 N ATOM 181 NH2 ARG A 59 7.619 12.166 0.241 1.00 0.00 N ATOM 0 H ARG A 59 1.234 10.645 1.861 1.00 0.00 H new ATOM 0 HA ARG A 59 1.751 9.643 -0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.600 10.077 1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.140 9.820 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.491 11.928 -0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.190 12.044 0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.042 13.582 1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.789 12.398 2.320 1.00 0.00 H new ATOM 0 HE ARG A 59 5.873 11.414 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.984 13.822 -0.582 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.597 13.861 -1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.941 11.471 0.915 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.264 12.535 -0.458 1.00 0.00 H new ATOM 195 N VAL A 60 2.305 7.516 1.758 1.00 0.00 N ATOM 196 CA VAL A 60 2.523 6.107 2.062 1.00 0.00 C ATOM 197 C VAL A 60 1.225 5.315 1.958 1.00 0.00 C ATOM 198 O VAL A 60 0.194 5.718 2.498 1.00 0.00 O ATOM 199 CB VAL A 60 3.113 5.922 3.473 1.00 0.00 C ATOM 200 CG1 VAL A 60 3.305 4.445 3.781 1.00 0.00 C ATOM 201 CG2 VAL A 60 4.426 6.678 3.605 1.00 0.00 C ATOM 0 H VAL A 60 2.177 8.109 2.578 1.00 0.00 H new ATOM 0 HA VAL A 60 3.234 5.731 1.327 1.00 0.00 H new ATOM 0 HB VAL A 60 2.411 6.332 4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.723 4.333 4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.343 3.935 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.987 4.007 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.828 6.536 4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.138 6.301 2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.254 7.740 3.430 1.00 0.00 H new ATOM 211 N LEU A 61 1.281 4.186 1.259 1.00 0.00 N ATOM 212 CA LEU A 61 0.109 3.335 1.084 1.00 0.00 C ATOM 213 C LEU A 61 0.134 2.166 2.062 1.00 0.00 C ATOM 214 O LEU A 61 1.120 1.432 2.145 1.00 0.00 O ATOM 215 CB LEU A 61 0.044 2.813 -0.352 1.00 0.00 C ATOM 216 CG LEU A 61 -0.225 3.857 -1.435 1.00 0.00 C ATOM 217 CD1 LEU A 61 -0.001 3.264 -2.818 1.00 0.00 C ATOM 218 CD2 LEU A 61 -1.641 4.402 -1.310 1.00 0.00 C ATOM 0 H LEU A 61 2.126 3.839 0.804 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.779 3.934 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.988 2.317 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.736 2.054 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 61 0.475 4.682 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.198 4.023 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.031 2.923 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.675 2.421 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.815 5.144 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.356 3.586 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.767 4.866 -0.332 1.00 0.00 H new ATOM 230 N HIS A 62 -0.958 1.995 2.801 1.00 0.00 N ATOM 231 CA HIS A 62 -1.062 0.912 3.772 1.00 0.00 C ATOM 232 C HIS A 62 -1.720 -0.315 3.149 1.00 0.00 C ATOM 233 O HIS A 62 -2.919 -0.314 2.871 1.00 0.00 O ATOM 234 CB HIS A 62 -1.862 1.370 4.993 1.00 0.00 C ATOM 235 CG HIS A 62 -2.235 0.252 5.918 1.00 0.00 C ATOM 236 ND1 HIS A 62 -3.513 0.069 6.401 1.00 0.00 N ATOM 237 CD2 HIS A 62 -1.488 -0.746 6.446 1.00 0.00 C ATOM 238 CE1 HIS A 62 -3.537 -0.992 7.188 1.00 0.00 C ATOM 239 NE2 HIS A 62 -2.321 -1.505 7.232 1.00 0.00 N ATOM 0 H HIS A 62 -1.783 2.592 2.746 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.054 0.641 4.087 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.278 2.107 5.544 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.770 1.870 4.656 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -4.315 0.661 6.185 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.434 -0.914 6.280 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.403 -1.375 7.707 1.00 0.00 H new ATOM 247 N ILE A 63 -0.928 -1.359 2.933 1.00 0.00 N ATOM 248 CA ILE A 63 -1.433 -2.592 2.342 1.00 0.00 C ATOM 249 C ILE A 63 -1.471 -3.718 3.370 1.00 0.00 C ATOM 250 O ILE A 63 -0.585 -3.828 4.217 1.00 0.00 O ATOM 251 CB ILE A 63 -0.576 -3.035 1.142 1.00 0.00 C ATOM 252 CG1 ILE A 63 -0.392 -1.875 0.163 1.00 0.00 C ATOM 253 CG2 ILE A 63 -1.215 -4.228 0.446 1.00 0.00 C ATOM 254 CD1 ILE A 63 0.719 -2.098 -0.839 1.00 0.00 C ATOM 0 H ILE A 63 0.067 -1.376 3.158 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.446 -2.384 1.996 1.00 0.00 H new ATOM 0 HB ILE A 63 0.406 -3.336 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.327 -1.712 -0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.185 -0.965 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.597 -4.529 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.298 -5.057 1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.208 -3.953 0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.791 -1.235 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.664 -2.231 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.504 -2.989 -1.428 1.00 0.00 H new ATOM 266 N ARG A 64 -2.500 -4.555 3.287 1.00 0.00 N ATOM 267 CA ARG A 64 -2.652 -5.674 4.209 1.00 0.00 C ATOM 268 C ARG A 64 -3.146 -6.918 3.476 1.00 0.00 C ATOM 269 O ARG A 64 -3.419 -6.879 2.276 1.00 0.00 O ATOM 270 CB ARG A 64 -3.626 -5.309 5.330 1.00 0.00 C ATOM 271 CG ARG A 64 -3.442 -3.897 5.860 1.00 0.00 C ATOM 272 CD ARG A 64 -4.178 -2.879 5.002 1.00 0.00 C ATOM 273 NE ARG A 64 -5.545 -2.661 5.464 1.00 0.00 N ATOM 274 CZ ARG A 64 -6.408 -1.855 4.854 1.00 0.00 C ATOM 275 NH1 ARG A 64 -6.045 -1.196 3.762 1.00 0.00 N ATOM 276 NH2 ARG A 64 -7.636 -1.709 5.335 1.00 0.00 N ATOM 0 H ARG A 64 -3.241 -4.479 2.590 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.676 -5.892 4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.647 -5.421 4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.503 -6.015 6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.807 -3.842 6.886 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.380 -3.653 5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.636 -1.934 5.016 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.195 -3.222 3.967 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.855 -3.154 6.301 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.102 -1.307 3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.709 -0.578 3.295 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.919 -2.216 6.174 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.297 -1.090 4.866 1.00 0.00 H new ATOM 290 N LYS A 65 -3.258 -8.023 4.206 1.00 0.00 N ATOM 291 CA LYS A 65 -3.720 -9.279 3.629 1.00 0.00 C ATOM 292 C LYS A 65 -2.837 -9.695 2.456 1.00 0.00 C ATOM 293 O LYS A 65 -3.333 -10.149 1.424 1.00 0.00 O ATOM 294 CB LYS A 65 -5.173 -9.148 3.166 1.00 0.00 C ATOM 295 CG LYS A 65 -6.185 -9.337 4.282 1.00 0.00 C ATOM 296 CD LYS A 65 -6.645 -10.783 4.379 1.00 0.00 C ATOM 297 CE LYS A 65 -5.773 -11.580 5.338 1.00 0.00 C ATOM 298 NZ LYS A 65 -5.753 -10.979 6.700 1.00 0.00 N ATOM 0 H LYS A 65 -3.035 -8.073 5.200 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.659 -10.048 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.316 -8.164 2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.364 -9.883 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.744 -9.030 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.046 -8.691 4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.681 -10.815 4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.616 -11.243 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.142 -12.604 5.398 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.756 -11.630 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.582 -11.724 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.995 -10.269 6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.668 -10.524 6.892 1.00 0.00 H new ATOM 312 N LEU A 66 -1.529 -9.538 2.621 1.00 0.00 N ATOM 313 CA LEU A 66 -0.577 -9.899 1.576 1.00 0.00 C ATOM 314 C LEU A 66 -0.551 -11.409 1.361 1.00 0.00 C ATOM 315 O LEU A 66 -0.639 -12.197 2.303 1.00 0.00 O ATOM 316 CB LEU A 66 0.823 -9.401 1.940 1.00 0.00 C ATOM 317 CG LEU A 66 1.084 -7.911 1.718 1.00 0.00 C ATOM 318 CD1 LEU A 66 2.384 -7.490 2.385 1.00 0.00 C ATOM 319 CD2 LEU A 66 1.117 -7.591 0.230 1.00 0.00 C ATOM 0 H LEU A 66 -1.103 -9.163 3.468 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.896 -9.423 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.006 -9.629 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.551 -9.967 1.359 1.00 0.00 H new ATOM 0 HG LEU A 66 0.269 -7.348 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.552 -6.426 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.322 -7.682 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.211 -8.060 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.304 -6.526 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.911 -8.164 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.159 -7.853 -0.220 1.00 0.00 H new ATOM 331 N PRO A 67 -0.426 -11.824 0.091 1.00 0.00 N ATOM 332 CA PRO A 67 -0.383 -13.242 -0.278 1.00 0.00 C ATOM 333 C PRO A 67 0.587 -14.038 0.590 1.00 0.00 C ATOM 334 O PRO A 67 1.625 -13.526 1.007 1.00 0.00 O ATOM 335 CB PRO A 67 0.097 -13.216 -1.731 1.00 0.00 C ATOM 336 CG PRO A 67 -0.352 -11.895 -2.254 1.00 0.00 C ATOM 337 CD PRO A 67 -0.316 -10.941 -1.082 1.00 0.00 C ATOM 0 HA PRO A 67 -1.349 -13.728 -0.143 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.180 -13.319 -1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.334 -14.036 -2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.302 -11.551 -3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.357 -11.963 -2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.609 -10.364 -1.064 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.137 -10.225 -1.123 1.00 0.00 H new ATOM 345 N GLY A 68 0.242 -15.294 0.857 1.00 0.00 N ATOM 346 CA GLY A 68 1.094 -16.139 1.673 1.00 0.00 C ATOM 347 C GLY A 68 2.504 -16.241 1.126 1.00 0.00 C ATOM 348 O GLY A 68 2.704 -16.627 -0.025 1.00 0.00 O ATOM 0 H GLY A 68 -0.612 -15.741 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.129 -15.742 2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.659 -17.136 1.735 1.00 0.00 H new ATOM 352 N GLU A 69 3.484 -15.891 1.954 1.00 0.00 N ATOM 353 CA GLU A 69 4.883 -15.944 1.545 1.00 0.00 C ATOM 354 C GLU A 69 5.105 -15.147 0.263 1.00 0.00 C ATOM 355 O GLU A 69 5.731 -15.630 -0.681 1.00 0.00 O ATOM 356 CB GLU A 69 5.324 -17.394 1.341 1.00 0.00 C ATOM 357 CG GLU A 69 5.637 -18.123 2.636 1.00 0.00 C ATOM 358 CD GLU A 69 6.661 -19.227 2.452 1.00 0.00 C ATOM 359 OE1 GLU A 69 7.802 -18.918 2.050 1.00 0.00 O ATOM 360 OE2 GLU A 69 6.320 -20.400 2.710 1.00 0.00 O ATOM 0 H GLU A 69 3.335 -15.568 2.910 1.00 0.00 H new ATOM 0 HA GLU A 69 5.484 -15.499 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.538 -17.933 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.207 -17.410 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.007 -17.408 3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.718 -18.548 3.040 1.00 0.00 H new ATOM 367 N VAL A 70 4.585 -13.924 0.234 1.00 0.00 N ATOM 368 CA VAL A 70 4.726 -13.060 -0.931 1.00 0.00 C ATOM 369 C VAL A 70 6.083 -12.365 -0.939 1.00 0.00 C ATOM 370 O VAL A 70 6.741 -12.249 0.095 1.00 0.00 O ATOM 371 CB VAL A 70 3.615 -11.993 -0.976 1.00 0.00 C ATOM 372 CG1 VAL A 70 3.874 -10.909 0.058 1.00 0.00 C ATOM 373 CG2 VAL A 70 3.509 -11.395 -2.371 1.00 0.00 C ATOM 0 H VAL A 70 4.062 -13.509 1.005 1.00 0.00 H new ATOM 0 HA VAL A 70 4.643 -13.698 -1.811 1.00 0.00 H new ATOM 0 HB VAL A 70 2.665 -12.471 -0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.079 -10.164 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.897 -11.353 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.832 -10.431 -0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.720 -10.643 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.458 -10.931 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.274 -12.182 -3.087 1.00 0.00 H new ATOM 383 N THR A 71 6.498 -11.905 -2.116 1.00 0.00 N ATOM 384 CA THR A 71 7.779 -11.222 -2.260 1.00 0.00 C ATOM 385 C THR A 71 7.580 -9.749 -2.598 1.00 0.00 C ATOM 386 O THR A 71 6.760 -9.403 -3.448 1.00 0.00 O ATOM 387 CB THR A 71 8.644 -11.876 -3.353 1.00 0.00 C ATOM 388 OG1 THR A 71 7.950 -11.853 -4.606 1.00 0.00 O ATOM 389 CG2 THR A 71 8.988 -13.312 -2.985 1.00 0.00 C ATOM 0 H THR A 71 5.967 -11.993 -2.982 1.00 0.00 H new ATOM 0 HA THR A 71 8.293 -11.306 -1.302 1.00 0.00 H new ATOM 0 HB THR A 71 9.570 -11.308 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.507 -12.269 -5.296 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.599 -13.753 -3.772 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.541 -13.324 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.070 -13.889 -2.873 1.00 0.00 H new ATOM 397 N GLU A 72 8.338 -8.886 -1.929 1.00 0.00 N ATOM 398 CA GLU A 72 8.245 -7.449 -2.159 1.00 0.00 C ATOM 399 C GLU A 72 8.103 -7.145 -3.648 1.00 0.00 C ATOM 400 O GLU A 72 7.282 -6.319 -4.050 1.00 0.00 O ATOM 401 CB GLU A 72 9.478 -6.738 -1.597 1.00 0.00 C ATOM 402 CG GLU A 72 9.612 -6.852 -0.088 1.00 0.00 C ATOM 403 CD GLU A 72 11.047 -6.716 0.382 1.00 0.00 C ATOM 404 OE1 GLU A 72 11.961 -7.062 -0.396 1.00 0.00 O ATOM 405 OE2 GLU A 72 11.257 -6.265 1.527 1.00 0.00 O ATOM 0 H GLU A 72 9.023 -9.157 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 72 7.357 -7.081 -1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.371 -7.153 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.435 -5.684 -1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.004 -6.082 0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.217 -7.815 0.236 1.00 0.00 H new ATOM 412 N THR A 73 8.908 -7.819 -4.462 1.00 0.00 N ATOM 413 CA THR A 73 8.874 -7.621 -5.906 1.00 0.00 C ATOM 414 C THR A 73 7.440 -7.523 -6.414 1.00 0.00 C ATOM 415 O THR A 73 7.130 -6.689 -7.265 1.00 0.00 O ATOM 416 CB THR A 73 9.592 -8.765 -6.647 1.00 0.00 C ATOM 417 OG1 THR A 73 10.903 -8.955 -6.103 1.00 0.00 O ATOM 418 CG2 THR A 73 9.694 -8.466 -8.135 1.00 0.00 C ATOM 0 H THR A 73 9.592 -8.507 -4.146 1.00 0.00 H new ATOM 0 HA THR A 73 9.393 -6.684 -6.109 1.00 0.00 H new ATOM 0 HB THR A 73 9.009 -9.676 -6.514 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.352 -9.685 -6.578 1.00 0.00 H new ATOM 0 HG21 THR A 73 10.205 -9.288 -8.637 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.694 -8.351 -8.552 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.257 -7.544 -8.283 1.00 0.00 H new ATOM 426 N GLU A 74 6.571 -8.380 -5.888 1.00 0.00 N ATOM 427 CA GLU A 74 5.169 -8.387 -6.289 1.00 0.00 C ATOM 428 C GLU A 74 4.534 -7.017 -6.075 1.00 0.00 C ATOM 429 O GLU A 74 4.020 -6.405 -7.010 1.00 0.00 O ATOM 430 CB GLU A 74 4.396 -9.449 -5.504 1.00 0.00 C ATOM 431 CG GLU A 74 4.440 -10.828 -6.141 1.00 0.00 C ATOM 432 CD GLU A 74 3.536 -10.941 -7.353 1.00 0.00 C ATOM 433 OE1 GLU A 74 3.809 -10.256 -8.361 1.00 0.00 O ATOM 434 OE2 GLU A 74 2.555 -11.711 -7.294 1.00 0.00 O ATOM 0 H GLU A 74 6.813 -9.078 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 74 5.123 -8.626 -7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.803 -9.511 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.357 -9.134 -5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.465 -11.056 -6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.146 -11.574 -5.403 1.00 0.00 H new ATOM 441 N VAL A 75 4.571 -6.542 -4.833 1.00 0.00 N ATOM 442 CA VAL A 75 4.000 -5.244 -4.494 1.00 0.00 C ATOM 443 C VAL A 75 4.726 -4.118 -5.218 1.00 0.00 C ATOM 444 O VAL A 75 4.121 -3.111 -5.587 1.00 0.00 O ATOM 445 CB VAL A 75 4.058 -4.986 -2.976 1.00 0.00 C ATOM 446 CG1 VAL A 75 3.449 -3.633 -2.642 1.00 0.00 C ATOM 447 CG2 VAL A 75 3.352 -6.100 -2.219 1.00 0.00 C ATOM 0 H VAL A 75 4.990 -7.037 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 75 2.958 -5.263 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 75 5.103 -4.974 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.498 -3.467 -1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.003 -2.848 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.408 -3.613 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.403 -5.901 -1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.308 -6.147 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.838 -7.051 -2.435 1.00 0.00 H new ATOM 457 N ILE A 76 6.028 -4.293 -5.421 1.00 0.00 N ATOM 458 CA ILE A 76 6.837 -3.291 -6.103 1.00 0.00 C ATOM 459 C ILE A 76 6.449 -3.180 -7.574 1.00 0.00 C ATOM 460 O ILE A 76 5.902 -2.167 -8.007 1.00 0.00 O ATOM 461 CB ILE A 76 8.338 -3.617 -6.003 1.00 0.00 C ATOM 462 CG1 ILE A 76 8.790 -3.602 -4.541 1.00 0.00 C ATOM 463 CG2 ILE A 76 9.151 -2.626 -6.823 1.00 0.00 C ATOM 464 CD1 ILE A 76 10.251 -3.944 -4.356 1.00 0.00 C ATOM 0 H ILE A 76 6.545 -5.120 -5.122 1.00 0.00 H new ATOM 0 HA ILE A 76 6.646 -2.340 -5.606 1.00 0.00 H new ATOM 0 HB ILE A 76 8.505 -4.616 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.601 -2.614 -4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.185 -4.310 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.210 -2.870 -6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.845 -2.680 -7.868 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.981 -1.617 -6.447 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.500 -3.914 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.443 -4.944 -4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.865 -3.221 -4.894 1.00 0.00 H new ATOM 476 N ALA A 77 6.735 -4.231 -8.336 1.00 0.00 N ATOM 477 CA ALA A 77 6.413 -4.253 -9.757 1.00 0.00 C ATOM 478 C ALA A 77 4.972 -3.818 -10.000 1.00 0.00 C ATOM 479 O ALA A 77 4.616 -3.401 -11.105 1.00 0.00 O ATOM 480 CB ALA A 77 6.649 -5.642 -10.330 1.00 0.00 C ATOM 0 H ALA A 77 7.189 -5.078 -7.993 1.00 0.00 H new ATOM 0 HA ALA A 77 7.070 -3.546 -10.264 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.404 -5.644 -11.392 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.695 -5.917 -10.198 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.016 -6.362 -9.811 1.00 0.00 H new ATOM 486 N LEU A 78 4.146 -3.916 -8.965 1.00 0.00 N ATOM 487 CA LEU A 78 2.742 -3.533 -9.066 1.00 0.00 C ATOM 488 C LEU A 78 2.564 -2.043 -8.789 1.00 0.00 C ATOM 489 O LEU A 78 1.654 -1.406 -9.320 1.00 0.00 O ATOM 490 CB LEU A 78 1.897 -4.350 -8.087 1.00 0.00 C ATOM 491 CG LEU A 78 1.611 -5.795 -8.494 1.00 0.00 C ATOM 492 CD1 LEU A 78 1.019 -6.571 -7.327 1.00 0.00 C ATOM 493 CD2 LEU A 78 0.676 -5.836 -9.694 1.00 0.00 C ATOM 0 H LEU A 78 4.424 -4.258 -8.045 1.00 0.00 H new ATOM 0 HA LEU A 78 2.407 -3.738 -10.083 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.402 -4.359 -7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.945 -3.838 -7.944 1.00 0.00 H new ATOM 0 HG LEU A 78 2.552 -6.266 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.822 -7.598 -7.635 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.723 -6.571 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.087 -6.101 -7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.483 -6.873 -9.970 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.265 -5.348 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.139 -5.317 -10.534 1.00 0.00 H new ATOM 505 N GLY A 79 3.440 -1.492 -7.954 1.00 0.00 N ATOM 506 CA GLY A 79 3.363 -0.081 -7.621 1.00 0.00 C ATOM 507 C GLY A 79 4.197 0.779 -8.550 1.00 0.00 C ATOM 508 O GLY A 79 3.939 1.973 -8.700 1.00 0.00 O ATOM 0 H GLY A 79 4.202 -1.998 -7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.323 0.244 -7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.699 0.066 -6.595 1.00 0.00 H new ATOM 512 N LEU A 80 5.203 0.172 -9.171 1.00 0.00 N ATOM 513 CA LEU A 80 6.080 0.892 -10.089 1.00 0.00 C ATOM 514 C LEU A 80 5.278 1.544 -11.210 1.00 0.00 C ATOM 515 O LEU A 80 5.521 2.688 -11.594 1.00 0.00 O ATOM 516 CB LEU A 80 7.123 -0.060 -10.678 1.00 0.00 C ATOM 517 CG LEU A 80 8.336 -0.356 -9.796 1.00 0.00 C ATOM 518 CD1 LEU A 80 9.066 -1.595 -10.290 1.00 0.00 C ATOM 519 CD2 LEU A 80 9.276 0.841 -9.762 1.00 0.00 C ATOM 0 H LEU A 80 5.432 -0.815 -9.056 1.00 0.00 H new ATOM 0 HA LEU A 80 6.588 1.677 -9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.632 -1.004 -10.914 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.477 0.359 -11.620 1.00 0.00 H new ATOM 0 HG LEU A 80 7.985 -0.546 -8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.926 -1.790 -9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.391 -2.451 -10.261 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.404 -1.434 -11.314 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.134 0.612 -9.129 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.619 1.063 -10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.749 1.706 -9.360 1.00 0.00 H new ATOM 531 N PRO A 81 4.300 0.802 -11.748 1.00 0.00 N ATOM 532 CA PRO A 81 3.441 1.289 -12.831 1.00 0.00 C ATOM 533 C PRO A 81 2.889 2.683 -12.552 1.00 0.00 C ATOM 534 O PRO A 81 3.045 3.597 -13.361 1.00 0.00 O ATOM 535 CB PRO A 81 2.305 0.263 -12.871 1.00 0.00 C ATOM 536 CG PRO A 81 2.902 -0.985 -12.319 1.00 0.00 C ATOM 537 CD PRO A 81 3.956 -0.570 -11.339 1.00 0.00 C ATOM 0 HA PRO A 81 3.984 1.382 -13.771 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.454 0.592 -12.275 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.943 0.112 -13.888 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.141 -1.594 -11.832 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.333 -1.591 -13.116 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.583 -0.600 -10.315 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.823 -1.229 -11.382 1.00 0.00 H new ATOM 545 N PHE A 82 2.246 2.840 -11.399 1.00 0.00 N ATOM 546 CA PHE A 82 1.670 4.123 -11.013 1.00 0.00 C ATOM 547 C PHE A 82 2.761 5.176 -10.835 1.00 0.00 C ATOM 548 O PHE A 82 2.683 6.268 -11.396 1.00 0.00 O ATOM 549 CB PHE A 82 0.870 3.978 -9.718 1.00 0.00 C ATOM 550 CG PHE A 82 -0.143 2.869 -9.760 1.00 0.00 C ATOM 551 CD1 PHE A 82 -1.429 3.105 -10.221 1.00 0.00 C ATOM 552 CD2 PHE A 82 0.190 1.592 -9.342 1.00 0.00 C ATOM 553 CE1 PHE A 82 -2.363 2.087 -10.260 1.00 0.00 C ATOM 554 CE2 PHE A 82 -0.739 0.569 -9.379 1.00 0.00 C ATOM 555 CZ PHE A 82 -2.017 0.817 -9.840 1.00 0.00 C ATOM 0 H PHE A 82 2.111 2.095 -10.716 1.00 0.00 H new ATOM 0 HA PHE A 82 1.001 4.448 -11.810 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.559 3.799 -8.893 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.359 4.918 -9.509 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.704 4.095 -10.553 1.00 0.00 H new ATOM 0 HD2 PHE A 82 1.189 1.392 -8.982 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.363 2.284 -10.618 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.466 -0.422 -9.048 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.745 0.020 -9.872 1.00 0.00 H new ATOM 565 N GLY A 83 3.779 4.838 -10.048 1.00 0.00 N ATOM 566 CA GLY A 83 4.870 5.763 -9.807 1.00 0.00 C ATOM 567 C GLY A 83 6.163 5.056 -9.457 1.00 0.00 C ATOM 568 O GLY A 83 6.255 3.832 -9.548 1.00 0.00 O ATOM 0 H GLY A 83 3.867 3.939 -9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.024 6.377 -10.694 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.597 6.438 -8.996 1.00 0.00 H new ATOM 572 N LYS A 84 7.169 5.828 -9.058 1.00 0.00 N ATOM 573 CA LYS A 84 8.465 5.269 -8.693 1.00 0.00 C ATOM 574 C LYS A 84 8.490 4.872 -7.219 1.00 0.00 C ATOM 575 O LYS A 84 7.923 5.559 -6.371 1.00 0.00 O ATOM 576 CB LYS A 84 9.578 6.279 -8.978 1.00 0.00 C ATOM 577 CG LYS A 84 10.953 5.648 -9.111 1.00 0.00 C ATOM 578 CD LYS A 84 11.667 5.580 -7.771 1.00 0.00 C ATOM 579 CE LYS A 84 13.036 4.931 -7.902 1.00 0.00 C ATOM 580 NZ LYS A 84 14.089 5.923 -8.257 1.00 0.00 N ATOM 0 H LYS A 84 7.111 6.843 -8.979 1.00 0.00 H new ATOM 0 HA LYS A 84 8.630 4.376 -9.296 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.343 6.816 -9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.602 7.016 -8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.855 4.644 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.553 6.225 -9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.777 6.585 -7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.061 5.015 -7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.298 4.444 -6.963 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.998 4.153 -8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.007 5.441 -8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.852 6.370 -9.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.144 6.651 -7.517 1.00 0.00 H new ATOM 594 N VAL A 85 9.154 3.759 -6.923 1.00 0.00 N ATOM 595 CA VAL A 85 9.257 3.272 -5.552 1.00 0.00 C ATOM 596 C VAL A 85 10.510 3.809 -4.871 1.00 0.00 C ATOM 597 O VAL A 85 11.628 3.414 -5.200 1.00 0.00 O ATOM 598 CB VAL A 85 9.278 1.733 -5.504 1.00 0.00 C ATOM 599 CG1 VAL A 85 9.542 1.247 -4.087 1.00 0.00 C ATOM 600 CG2 VAL A 85 7.972 1.165 -6.037 1.00 0.00 C ATOM 0 H VAL A 85 9.629 3.178 -7.614 1.00 0.00 H new ATOM 0 HA VAL A 85 8.376 3.632 -5.020 1.00 0.00 H new ATOM 0 HB VAL A 85 10.088 1.378 -6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.553 0.157 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.506 1.625 -3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.756 1.611 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.005 0.076 -5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.143 1.526 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.831 1.485 -7.069 1.00 0.00 H new ATOM 610 N THR A 86 10.316 4.714 -3.916 1.00 0.00 N ATOM 611 CA THR A 86 11.430 5.307 -3.187 1.00 0.00 C ATOM 612 C THR A 86 11.687 4.567 -1.879 1.00 0.00 C ATOM 613 O THR A 86 12.824 4.220 -1.564 1.00 0.00 O ATOM 614 CB THR A 86 11.173 6.794 -2.880 1.00 0.00 C ATOM 615 OG1 THR A 86 9.974 6.936 -2.112 1.00 0.00 O ATOM 616 CG2 THR A 86 11.055 7.598 -4.166 1.00 0.00 C ATOM 0 H THR A 86 9.397 5.052 -3.630 1.00 0.00 H new ATOM 0 HA THR A 86 12.308 5.223 -3.828 1.00 0.00 H new ATOM 0 HB THR A 86 12.018 7.175 -2.307 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.819 7.884 -1.920 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.874 8.645 -3.925 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.981 7.512 -4.735 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.226 7.214 -4.761 1.00 0.00 H new ATOM 624 N ASN A 87 10.622 4.330 -1.119 1.00 0.00 N ATOM 625 CA ASN A 87 10.732 3.630 0.156 1.00 0.00 C ATOM 626 C ASN A 87 9.706 2.506 0.250 1.00 0.00 C ATOM 627 O ASN A 87 8.580 2.638 -0.229 1.00 0.00 O ATOM 628 CB ASN A 87 10.541 4.610 1.315 1.00 0.00 C ATOM 629 CG ASN A 87 11.749 5.502 1.523 1.00 0.00 C ATOM 630 OD1 ASN A 87 12.353 5.981 0.563 1.00 0.00 O ATOM 631 ND2 ASN A 87 12.105 5.731 2.782 1.00 0.00 N ATOM 0 H ASN A 87 9.673 4.613 -1.364 1.00 0.00 H new ATOM 0 HA ASN A 87 11.728 3.193 0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.665 5.229 1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.343 4.052 2.230 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.909 6.325 2.985 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.574 5.313 3.546 1.00 0.00 H new ATOM 638 N ILE A 88 10.103 1.400 0.871 1.00 0.00 N ATOM 639 CA ILE A 88 9.218 0.253 1.030 1.00 0.00 C ATOM 640 C ILE A 88 9.435 -0.426 2.378 1.00 0.00 C ATOM 641 O ILE A 88 10.565 -0.543 2.852 1.00 0.00 O ATOM 642 CB ILE A 88 9.428 -0.780 -0.092 1.00 0.00 C ATOM 643 CG1 ILE A 88 8.498 -1.979 0.107 1.00 0.00 C ATOM 644 CG2 ILE A 88 10.881 -1.230 -0.133 1.00 0.00 C ATOM 645 CD1 ILE A 88 8.575 -2.996 -1.009 1.00 0.00 C ATOM 0 H ILE A 88 11.032 1.274 1.272 1.00 0.00 H new ATOM 0 HA ILE A 88 8.198 0.632 0.977 1.00 0.00 H new ATOM 0 HB ILE A 88 9.186 -0.312 -1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.745 -2.467 1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.472 -1.622 0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.013 -1.960 -0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.523 -0.369 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 88 11.149 -1.683 0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.889 -3.817 -0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.299 -2.523 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 88 9.592 -3.382 -1.080 1.00 0.00 H new ATOM 657 N LEU A 89 8.344 -0.874 2.990 1.00 0.00 N ATOM 658 CA LEU A 89 8.414 -1.544 4.284 1.00 0.00 C ATOM 659 C LEU A 89 7.511 -2.773 4.310 1.00 0.00 C ATOM 660 O LEU A 89 6.286 -2.655 4.330 1.00 0.00 O ATOM 661 CB LEU A 89 8.014 -0.580 5.402 1.00 0.00 C ATOM 662 CG LEU A 89 8.003 -1.160 6.817 1.00 0.00 C ATOM 663 CD1 LEU A 89 9.420 -1.263 7.362 1.00 0.00 C ATOM 664 CD2 LEU A 89 7.136 -0.312 7.735 1.00 0.00 C ATOM 0 H LEU A 89 7.401 -0.785 2.611 1.00 0.00 H new ATOM 0 HA LEU A 89 9.443 -1.868 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.698 0.269 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.019 -0.193 5.182 1.00 0.00 H new ATOM 0 HG LEU A 89 7.578 -2.163 6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.393 -1.678 8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.011 -1.914 6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.872 -0.272 7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.140 -0.740 8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.530 0.703 7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.115 -0.291 7.354 1.00 0.00 H new ATOM 676 N MET A 90 8.124 -3.952 4.312 1.00 0.00 N ATOM 677 CA MET A 90 7.376 -5.203 4.339 1.00 0.00 C ATOM 678 C MET A 90 7.621 -5.956 5.644 1.00 0.00 C ATOM 679 O MET A 90 8.726 -6.440 5.894 1.00 0.00 O ATOM 680 CB MET A 90 7.766 -6.082 3.149 1.00 0.00 C ATOM 681 CG MET A 90 7.185 -7.485 3.214 1.00 0.00 C ATOM 682 SD MET A 90 7.073 -8.266 1.593 1.00 0.00 S ATOM 683 CE MET A 90 5.744 -7.322 0.852 1.00 0.00 C ATOM 0 H MET A 90 9.137 -4.067 4.295 1.00 0.00 H new ATOM 0 HA MET A 90 6.315 -4.963 4.272 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.433 -5.602 2.229 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.853 -6.150 3.098 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.803 -8.100 3.867 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.192 -7.443 3.662 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.108 -7.986 0.267 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.152 -6.850 1.636 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.162 -6.554 0.201 1.00 0.00 H new ATOM 693 N LEU A 91 6.586 -6.049 6.471 1.00 0.00 N ATOM 694 CA LEU A 91 6.690 -6.742 7.750 1.00 0.00 C ATOM 695 C LEU A 91 6.630 -8.254 7.557 1.00 0.00 C ATOM 696 O LEU A 91 5.634 -8.790 7.070 1.00 0.00 O ATOM 697 CB LEU A 91 5.568 -6.292 8.689 1.00 0.00 C ATOM 698 CG LEU A 91 5.441 -4.785 8.907 1.00 0.00 C ATOM 699 CD1 LEU A 91 4.194 -4.466 9.718 1.00 0.00 C ATOM 700 CD2 LEU A 91 6.682 -4.239 9.598 1.00 0.00 C ATOM 0 H LEU A 91 5.666 -5.653 6.279 1.00 0.00 H new ATOM 0 HA LEU A 91 7.652 -6.489 8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.622 -6.663 8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.719 -6.768 9.658 1.00 0.00 H new ATOM 0 HG LEU A 91 5.350 -4.303 7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.120 -3.388 9.863 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.312 -4.821 9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.255 -4.959 10.688 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.574 -3.164 9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.804 -4.727 10.565 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.558 -4.434 8.980 1.00 0.00 H new ATOM 763 N ASN A 95 0.758 -9.811 8.087 1.00 0.00 N ATOM 764 CA ASN A 95 0.657 -9.465 6.673 1.00 0.00 C ATOM 765 C ASN A 95 0.353 -7.980 6.497 1.00 0.00 C ATOM 766 O ASN A 95 -0.805 -7.586 6.359 1.00 0.00 O ATOM 767 CB ASN A 95 -0.430 -10.303 5.998 1.00 0.00 C ATOM 768 CG ASN A 95 -0.231 -11.791 6.214 1.00 0.00 C ATOM 769 OD1 ASN A 95 0.739 -12.375 5.731 1.00 0.00 O ATOM 770 ND2 ASN A 95 -1.151 -12.411 6.944 1.00 0.00 N ATOM 0 HA ASN A 95 1.616 -9.680 6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -1.405 -10.009 6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.436 -10.092 4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.070 -13.412 7.124 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -1.939 -11.886 7.325 1.00 0.00 H new ATOM 777 N GLN A 96 1.401 -7.163 6.503 1.00 0.00 N ATOM 778 CA GLN A 96 1.246 -5.722 6.343 1.00 0.00 C ATOM 779 C GLN A 96 2.521 -5.094 5.788 1.00 0.00 C ATOM 780 O GLN A 96 3.627 -5.451 6.195 1.00 0.00 O ATOM 781 CB GLN A 96 0.885 -5.075 7.682 1.00 0.00 C ATOM 782 CG GLN A 96 -0.611 -5.004 7.940 1.00 0.00 C ATOM 783 CD GLN A 96 -0.966 -4.031 9.047 1.00 0.00 C ATOM 784 OE1 GLN A 96 -0.120 -3.269 9.515 1.00 0.00 O ATOM 785 NE2 GLN A 96 -2.224 -4.051 9.472 1.00 0.00 N ATOM 0 H GLN A 96 2.366 -7.474 6.617 1.00 0.00 H new ATOM 0 HA GLN A 96 0.438 -5.546 5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.358 -5.638 8.487 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.299 -4.067 7.712 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.120 -4.707 7.023 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.978 -5.996 8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.893 -4.699 9.056 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.522 -3.418 10.215 1.00 0.00 H new ATOM 794 N ALA A 97 2.358 -4.160 4.859 1.00 0.00 N ATOM 795 CA ALA A 97 3.496 -3.481 4.249 1.00 0.00 C ATOM 796 C ALA A 97 3.124 -2.068 3.813 1.00 0.00 C ATOM 797 O ALA A 97 2.009 -1.823 3.353 1.00 0.00 O ATOM 798 CB ALA A 97 4.015 -4.283 3.065 1.00 0.00 C ATOM 0 H ALA A 97 1.449 -3.855 4.511 1.00 0.00 H new ATOM 0 HA ALA A 97 4.286 -3.405 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.864 -3.765 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.329 -5.270 3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.224 -4.389 2.323 1.00 0.00 H new ATOM 804 N PHE A 98 4.065 -1.141 3.961 1.00 0.00 N ATOM 805 CA PHE A 98 3.835 0.248 3.583 1.00 0.00 C ATOM 806 C PHE A 98 4.728 0.648 2.412 1.00 0.00 C ATOM 807 O PHE A 98 5.955 0.583 2.501 1.00 0.00 O ATOM 808 CB PHE A 98 4.093 1.172 4.775 1.00 0.00 C ATOM 809 CG PHE A 98 3.249 0.852 5.976 1.00 0.00 C ATOM 810 CD1 PHE A 98 3.570 -0.213 6.801 1.00 0.00 C ATOM 811 CD2 PHE A 98 2.135 1.618 6.279 1.00 0.00 C ATOM 812 CE1 PHE A 98 2.795 -0.510 7.905 1.00 0.00 C ATOM 813 CE2 PHE A 98 1.356 1.326 7.383 1.00 0.00 C ATOM 814 CZ PHE A 98 1.688 0.261 8.198 1.00 0.00 C ATOM 0 H PHE A 98 4.994 -1.327 4.340 1.00 0.00 H new ATOM 0 HA PHE A 98 2.795 0.347 3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.145 1.108 5.053 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.905 2.202 4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.436 -0.818 6.579 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.872 2.452 5.646 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.055 -1.345 8.539 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.489 1.930 7.608 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.083 0.032 9.063 1.00 0.00 H new ATOM 824 N LEU A 99 4.104 1.062 1.314 1.00 0.00 N ATOM 825 CA LEU A 99 4.840 1.473 0.125 1.00 0.00 C ATOM 826 C LEU A 99 4.737 2.979 -0.087 1.00 0.00 C ATOM 827 O LEU A 99 3.642 3.543 -0.079 1.00 0.00 O ATOM 828 CB LEU A 99 4.310 0.736 -1.107 1.00 0.00 C ATOM 829 CG LEU A 99 4.837 1.221 -2.457 1.00 0.00 C ATOM 830 CD1 LEU A 99 6.332 0.967 -2.571 1.00 0.00 C ATOM 831 CD2 LEU A 99 4.091 0.541 -3.596 1.00 0.00 C ATOM 0 H LEU A 99 3.090 1.122 1.223 1.00 0.00 H new ATOM 0 HA LEU A 99 5.889 1.217 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.551 -0.322 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.223 0.816 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 99 4.666 2.295 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.688 1.319 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.853 1.501 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.528 -0.101 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.479 0.898 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.230 -0.538 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.029 0.775 -3.526 1.00 0.00 H new ATOM 843 N GLU A 100 5.883 3.626 -0.278 1.00 0.00 N ATOM 844 CA GLU A 100 5.919 5.067 -0.494 1.00 0.00 C ATOM 845 C GLU A 100 6.459 5.396 -1.882 1.00 0.00 C ATOM 846 O GLU A 100 7.607 5.086 -2.204 1.00 0.00 O ATOM 847 CB GLU A 100 6.783 5.743 0.574 1.00 0.00 C ATOM 848 CG GLU A 100 6.969 7.234 0.352 1.00 0.00 C ATOM 849 CD GLU A 100 7.301 7.977 1.631 1.00 0.00 C ATOM 850 OE1 GLU A 100 8.379 7.716 2.205 1.00 0.00 O ATOM 851 OE2 GLU A 100 6.485 8.819 2.059 1.00 0.00 O ATOM 0 H GLU A 100 6.798 3.175 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 100 4.899 5.445 -0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.328 5.584 1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.761 5.263 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.767 7.393 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.058 7.650 -0.079 1.00 0.00 H new ATOM 858 N LEU A 101 5.623 6.025 -2.701 1.00 0.00 N ATOM 859 CA LEU A 101 6.015 6.396 -4.058 1.00 0.00 C ATOM 860 C LEU A 101 6.587 7.810 -4.091 1.00 0.00 C ATOM 861 O LEU A 101 6.377 8.597 -3.168 1.00 0.00 O ATOM 862 CB LEU A 101 4.815 6.296 -5.001 1.00 0.00 C ATOM 863 CG LEU A 101 4.317 4.883 -5.305 1.00 0.00 C ATOM 864 CD1 LEU A 101 3.459 4.362 -4.163 1.00 0.00 C ATOM 865 CD2 LEU A 101 3.538 4.861 -6.612 1.00 0.00 C ATOM 0 H LEU A 101 4.670 6.289 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 101 6.788 5.703 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.991 6.865 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.077 6.778 -5.943 1.00 0.00 H new ATOM 0 HG LEU A 101 5.183 4.229 -5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.114 3.355 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.048 4.339 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.599 5.018 -4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.191 3.847 -6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.680 5.529 -6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.184 5.191 -7.426 1.00 0.00 H new ATOM 877 N ALA A 102 7.306 8.126 -5.161 1.00 0.00 N ATOM 878 CA ALA A 102 7.904 9.446 -5.318 1.00 0.00 C ATOM 879 C ALA A 102 6.987 10.533 -4.767 1.00 0.00 C ATOM 880 O ALA A 102 7.356 11.266 -3.849 1.00 0.00 O ATOM 881 CB ALA A 102 8.221 9.713 -6.782 1.00 0.00 C ATOM 0 H ALA A 102 7.489 7.486 -5.934 1.00 0.00 H new ATOM 0 HA ALA A 102 8.833 9.466 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.667 10.702 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.921 8.961 -7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.303 9.667 -7.367 1.00 0.00 H new ATOM 887 N THR A 103 5.789 10.632 -5.334 1.00 0.00 N ATOM 888 CA THR A 103 4.819 11.632 -4.902 1.00 0.00 C ATOM 889 C THR A 103 3.504 10.978 -4.489 1.00 0.00 C ATOM 890 O THR A 103 3.206 9.855 -4.893 1.00 0.00 O ATOM 891 CB THR A 103 4.541 12.662 -6.012 1.00 0.00 C ATOM 892 OG1 THR A 103 4.184 11.991 -7.226 1.00 0.00 O ATOM 893 CG2 THR A 103 5.760 13.541 -6.251 1.00 0.00 C ATOM 0 H THR A 103 5.467 10.032 -6.093 1.00 0.00 H new ATOM 0 HA THR A 103 5.253 12.144 -4.043 1.00 0.00 H new ATOM 0 HB THR A 103 3.713 13.295 -5.691 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.007 12.654 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.540 14.261 -7.039 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.011 14.073 -5.333 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.603 12.919 -6.552 1.00 0.00 H new ATOM 901 N GLU A 104 2.722 11.690 -3.685 1.00 0.00 N ATOM 902 CA GLU A 104 1.438 11.179 -3.218 1.00 0.00 C ATOM 903 C GLU A 104 0.493 10.930 -4.391 1.00 0.00 C ATOM 904 O GLU A 104 -0.152 9.886 -4.469 1.00 0.00 O ATOM 905 CB GLU A 104 0.800 12.160 -2.234 1.00 0.00 C ATOM 906 CG GLU A 104 0.485 13.516 -2.844 1.00 0.00 C ATOM 907 CD GLU A 104 0.441 14.625 -1.810 1.00 0.00 C ATOM 908 OE1 GLU A 104 1.292 14.619 -0.897 1.00 0.00 O ATOM 909 OE2 GLU A 104 -0.444 15.499 -1.916 1.00 0.00 O ATOM 0 H GLU A 104 2.954 12.622 -3.343 1.00 0.00 H new ATOM 0 HA GLU A 104 1.616 10.232 -2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.120 11.724 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.471 12.299 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.237 13.755 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.475 13.465 -3.358 1.00 0.00 H new ATOM 916 N GLU A 105 0.420 11.897 -5.299 1.00 0.00 N ATOM 917 CA GLU A 105 -0.447 11.784 -6.466 1.00 0.00 C ATOM 918 C GLU A 105 -0.481 10.348 -6.981 1.00 0.00 C ATOM 919 O GLU A 105 -1.551 9.784 -7.207 1.00 0.00 O ATOM 920 CB GLU A 105 0.029 12.724 -7.577 1.00 0.00 C ATOM 921 CG GLU A 105 -1.090 13.221 -8.475 1.00 0.00 C ATOM 922 CD GLU A 105 -0.613 14.237 -9.494 1.00 0.00 C ATOM 923 OE1 GLU A 105 0.545 14.122 -9.950 1.00 0.00 O ATOM 924 OE2 GLU A 105 -1.397 15.147 -9.836 1.00 0.00 O ATOM 0 H GLU A 105 0.950 12.767 -5.250 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.455 12.069 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.530 13.581 -7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.770 12.206 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -1.537 12.374 -8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -1.872 13.668 -7.861 1.00 0.00 H new ATOM 931 N ALA A 106 0.698 9.763 -7.164 1.00 0.00 N ATOM 932 CA ALA A 106 0.804 8.393 -7.650 1.00 0.00 C ATOM 933 C ALA A 106 0.026 7.432 -6.756 1.00 0.00 C ATOM 934 O ALA A 106 -0.741 6.601 -7.242 1.00 0.00 O ATOM 935 CB ALA A 106 2.264 7.974 -7.735 1.00 0.00 C ATOM 0 H ALA A 106 1.593 10.217 -6.983 1.00 0.00 H new ATOM 0 HA ALA A 106 0.368 8.353 -8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.328 6.949 -8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.793 8.636 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.719 8.037 -6.746 1.00 0.00 H new ATOM 941 N ALA A 107 0.230 7.551 -5.449 1.00 0.00 N ATOM 942 CA ALA A 107 -0.452 6.693 -4.487 1.00 0.00 C ATOM 943 C ALA A 107 -1.958 6.697 -4.722 1.00 0.00 C ATOM 944 O ALA A 107 -2.564 5.649 -4.948 1.00 0.00 O ATOM 945 CB ALA A 107 -0.136 7.137 -3.067 1.00 0.00 C ATOM 0 H ALA A 107 0.862 8.233 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.091 5.674 -4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.652 6.488 -2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.939 7.077 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.469 8.165 -2.925 1.00 0.00 H new ATOM 951 N ILE A 108 -2.558 7.882 -4.666 1.00 0.00 N ATOM 952 CA ILE A 108 -3.995 8.021 -4.873 1.00 0.00 C ATOM 953 C ILE A 108 -4.450 7.246 -6.104 1.00 0.00 C ATOM 954 O ILE A 108 -5.227 6.296 -6.003 1.00 0.00 O ATOM 955 CB ILE A 108 -4.400 9.498 -5.029 1.00 0.00 C ATOM 956 CG1 ILE A 108 -4.013 10.291 -3.779 1.00 0.00 C ATOM 957 CG2 ILE A 108 -5.895 9.612 -5.293 1.00 0.00 C ATOM 958 CD1 ILE A 108 -3.985 11.788 -3.998 1.00 0.00 C ATOM 0 H ILE A 108 -2.072 8.759 -4.479 1.00 0.00 H new ATOM 0 HA ILE A 108 -4.483 7.611 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.866 9.917 -5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -4.718 10.062 -2.980 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.030 9.963 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.166 10.662 -5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.145 9.077 -6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.446 9.179 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -3.703 12.286 -3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.259 12.029 -4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -4.973 12.129 -4.307 1.00 0.00 H new ATOM 970 N THR A 109 -3.960 7.658 -7.270 1.00 0.00 N ATOM 971 CA THR A 109 -4.317 7.004 -8.523 1.00 0.00 C ATOM 972 C THR A 109 -4.430 5.494 -8.341 1.00 0.00 C ATOM 973 O THR A 109 -5.400 4.878 -8.782 1.00 0.00 O ATOM 974 CB THR A 109 -3.283 7.301 -9.625 1.00 0.00 C ATOM 975 OG1 THR A 109 -3.137 8.715 -9.792 1.00 0.00 O ATOM 976 CG2 THR A 109 -3.702 6.669 -10.945 1.00 0.00 C ATOM 0 H THR A 109 -3.315 8.442 -7.372 1.00 0.00 H new ATOM 0 HA THR A 109 -5.285 7.405 -8.825 1.00 0.00 H new ATOM 0 HB THR A 109 -2.328 6.872 -9.322 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.538 9.066 -9.101 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.956 6.892 -11.708 1.00 0.00 H new ATOM 0 HG22 THR A 109 -3.783 5.589 -10.822 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.667 7.073 -11.252 1.00 0.00 H new ATOM 984 N MET A 110 -3.434 4.905 -7.689 1.00 0.00 N ATOM 985 CA MET A 110 -3.424 3.466 -7.448 1.00 0.00 C ATOM 986 C MET A 110 -4.599 3.056 -6.567 1.00 0.00 C ATOM 987 O MET A 110 -5.316 2.103 -6.876 1.00 0.00 O ATOM 988 CB MET A 110 -2.107 3.047 -6.791 1.00 0.00 C ATOM 989 CG MET A 110 -1.963 1.543 -6.627 1.00 0.00 C ATOM 990 SD MET A 110 -0.251 1.034 -6.373 1.00 0.00 S ATOM 991 CE MET A 110 -0.465 -0.294 -5.190 1.00 0.00 C ATOM 0 H MET A 110 -2.623 5.401 -7.318 1.00 0.00 H new ATOM 0 HA MET A 110 -3.519 2.960 -8.409 1.00 0.00 H new ATOM 0 HB2 MET A 110 -1.276 3.420 -7.390 1.00 0.00 H new ATOM 0 HB3 MET A 110 -2.032 3.520 -5.812 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.565 1.214 -5.780 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.359 1.045 -7.512 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.501 -0.557 -4.760 1.00 0.00 H new ATOM 0 HE2 MET A 110 -1.139 0.030 -4.397 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.888 -1.164 -5.692 1.00 0.00 H new ATOM 1001 N VAL A 111 -4.791 3.778 -5.468 1.00 0.00 N ATOM 1002 CA VAL A 111 -5.880 3.488 -4.543 1.00 0.00 C ATOM 1003 C VAL A 111 -7.225 3.481 -5.261 1.00 0.00 C ATOM 1004 O VAL A 111 -8.079 2.638 -4.992 1.00 0.00 O ATOM 1005 CB VAL A 111 -5.929 4.514 -3.395 1.00 0.00 C ATOM 1006 CG1 VAL A 111 -7.085 4.208 -2.455 1.00 0.00 C ATOM 1007 CG2 VAL A 111 -4.608 4.533 -2.641 1.00 0.00 C ATOM 0 H VAL A 111 -4.206 4.568 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.688 2.498 -4.129 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.091 5.504 -3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -7.104 4.943 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.024 4.250 -3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -6.957 3.211 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.660 5.263 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.413 3.545 -2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.803 4.804 -3.324 1.00 0.00 H new ATOM 1017 N ASN A 112 -7.405 4.426 -6.178 1.00 0.00 N ATOM 1018 CA ASN A 112 -8.646 4.529 -6.937 1.00 0.00 C ATOM 1019 C ASN A 112 -8.815 3.332 -7.868 1.00 0.00 C ATOM 1020 O ASN A 112 -9.772 2.568 -7.746 1.00 0.00 O ATOM 1021 CB ASN A 112 -8.666 5.827 -7.747 1.00 0.00 C ATOM 1022 CG ASN A 112 -9.271 6.983 -6.973 1.00 0.00 C ATOM 1023 OD1 ASN A 112 -10.190 7.650 -7.448 1.00 0.00 O ATOM 1024 ND2 ASN A 112 -8.757 7.223 -5.772 1.00 0.00 N ATOM 0 H ASN A 112 -6.707 5.132 -6.413 1.00 0.00 H new ATOM 0 HA ASN A 112 -9.476 4.537 -6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -7.648 6.084 -8.042 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.234 5.671 -8.664 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -9.124 7.986 -5.203 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.995 6.644 -5.418 1.00 0.00 H new ATOM 1031 N TYR A 113 -7.879 3.176 -8.798 1.00 0.00 N ATOM 1032 CA TYR A 113 -7.926 2.074 -9.751 1.00 0.00 C ATOM 1033 C TYR A 113 -8.432 0.799 -9.085 1.00 0.00 C ATOM 1034 O TYR A 113 -9.184 0.029 -9.683 1.00 0.00 O ATOM 1035 CB TYR A 113 -6.540 1.834 -10.352 1.00 0.00 C ATOM 1036 CG TYR A 113 -6.428 0.533 -11.114 1.00 0.00 C ATOM 1037 CD1 TYR A 113 -7.068 0.364 -12.336 1.00 0.00 C ATOM 1038 CD2 TYR A 113 -5.683 -0.527 -10.614 1.00 0.00 C ATOM 1039 CE1 TYR A 113 -6.970 -0.823 -13.036 1.00 0.00 C ATOM 1040 CE2 TYR A 113 -5.577 -1.717 -11.307 1.00 0.00 C ATOM 1041 CZ TYR A 113 -6.223 -1.860 -12.519 1.00 0.00 C ATOM 1042 OH TYR A 113 -6.121 -3.044 -13.211 1.00 0.00 O ATOM 0 H TYR A 113 -7.079 3.799 -8.912 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.619 2.345 -10.548 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -6.295 2.659 -11.021 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -5.800 1.842 -9.552 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -7.652 1.175 -12.746 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -5.177 -0.419 -9.666 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -7.476 -0.938 -13.983 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -4.993 -2.531 -10.903 1.00 0.00 H new ATOM 0 HH TYR A 113 -5.558 -3.669 -12.709 1.00 0.00 H new ATOM 1052 N TYR A 114 -8.014 0.582 -7.843 1.00 0.00 N ATOM 1053 CA TYR A 114 -8.422 -0.600 -7.094 1.00 0.00 C ATOM 1054 C TYR A 114 -9.729 -0.348 -6.348 1.00 0.00 C ATOM 1055 O TYR A 114 -10.590 -1.224 -6.267 1.00 0.00 O ATOM 1056 CB TYR A 114 -7.327 -1.007 -6.105 1.00 0.00 C ATOM 1057 CG TYR A 114 -6.077 -1.534 -6.771 1.00 0.00 C ATOM 1058 CD1 TYR A 114 -6.141 -2.562 -7.703 1.00 0.00 C ATOM 1059 CD2 TYR A 114 -4.829 -1.002 -6.469 1.00 0.00 C ATOM 1060 CE1 TYR A 114 -5.000 -3.047 -8.313 1.00 0.00 C ATOM 1061 CE2 TYR A 114 -3.683 -1.479 -7.074 1.00 0.00 C ATOM 1062 CZ TYR A 114 -3.773 -2.501 -7.994 1.00 0.00 C ATOM 1063 OH TYR A 114 -2.634 -2.980 -8.601 1.00 0.00 O ATOM 0 H TYR A 114 -7.392 1.210 -7.333 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.581 -1.412 -7.804 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.066 -0.146 -5.490 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -7.721 -1.770 -5.434 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.100 -2.990 -7.955 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -4.754 -0.201 -5.748 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -5.068 -3.848 -9.034 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -2.721 -1.053 -6.828 1.00 0.00 H new ATOM 0 HH TYR A 114 -1.854 -2.489 -8.268 1.00 0.00 H new ATOM 1073 N SER A 115 -9.869 0.857 -5.804 1.00 0.00 N ATOM 1074 CA SER A 115 -11.069 1.225 -5.061 1.00 0.00 C ATOM 1075 C SER A 115 -12.307 0.572 -5.671 1.00 0.00 C ATOM 1076 O SER A 115 -13.199 0.119 -4.955 1.00 0.00 O ATOM 1077 CB SER A 115 -11.236 2.745 -5.043 1.00 0.00 C ATOM 1078 OG SER A 115 -12.534 3.111 -4.608 1.00 0.00 O ATOM 0 H SER A 115 -9.167 1.594 -5.864 1.00 0.00 H new ATOM 0 HA SER A 115 -10.958 0.867 -4.038 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.490 3.188 -4.383 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.057 3.145 -6.041 1.00 0.00 H new ATOM 0 HG SER A 115 -12.614 4.088 -4.604 1.00 0.00 H new ATOM 1084 N ALA A 116 -12.352 0.530 -6.999 1.00 0.00 N ATOM 1085 CA ALA A 116 -13.478 -0.067 -7.705 1.00 0.00 C ATOM 1086 C ALA A 116 -13.165 -1.500 -8.125 1.00 0.00 C ATOM 1087 O ALA A 116 -14.015 -2.385 -8.029 1.00 0.00 O ATOM 1088 CB ALA A 116 -13.844 0.772 -8.920 1.00 0.00 C ATOM 0 H ALA A 116 -11.622 0.902 -7.606 1.00 0.00 H new ATOM 0 HA ALA A 116 -14.329 -0.092 -7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.687 0.314 -9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.118 1.777 -8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -12.990 0.827 -9.595 1.00 0.00 H new ATOM 1094 N VAL A 117 -11.941 -1.720 -8.593 1.00 0.00 N ATOM 1095 CA VAL A 117 -11.515 -3.045 -9.027 1.00 0.00 C ATOM 1096 C VAL A 117 -10.775 -3.778 -7.914 1.00 0.00 C ATOM 1097 O VAL A 117 -9.839 -3.243 -7.318 1.00 0.00 O ATOM 1098 CB VAL A 117 -10.605 -2.964 -10.267 1.00 0.00 C ATOM 1099 CG1 VAL A 117 -10.132 -4.352 -10.674 1.00 0.00 C ATOM 1100 CG2 VAL A 117 -11.331 -2.281 -11.416 1.00 0.00 C ATOM 0 H VAL A 117 -11.226 -0.997 -8.681 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.418 -3.599 -9.284 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.728 -2.367 -10.015 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.490 -4.275 -11.552 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -9.572 -4.801 -9.853 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.994 -4.976 -10.909 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.674 -2.232 -12.284 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.226 -2.849 -11.670 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.615 -1.271 -11.118 1.00 0.00 H new ATOM 1110 N THR A 118 -11.199 -5.007 -7.636 1.00 0.00 N ATOM 1111 CA THR A 118 -10.578 -5.813 -6.594 1.00 0.00 C ATOM 1112 C THR A 118 -9.601 -6.822 -7.188 1.00 0.00 C ATOM 1113 O THR A 118 -9.994 -7.839 -7.760 1.00 0.00 O ATOM 1114 CB THR A 118 -11.633 -6.566 -5.762 1.00 0.00 C ATOM 1115 OG1 THR A 118 -12.651 -5.659 -5.326 1.00 0.00 O ATOM 1116 CG2 THR A 118 -10.993 -7.235 -4.555 1.00 0.00 C ATOM 0 H THR A 118 -11.971 -5.466 -8.119 1.00 0.00 H new ATOM 0 HA THR A 118 -10.036 -5.126 -5.944 1.00 0.00 H new ATOM 0 HB THR A 118 -12.078 -7.336 -6.392 1.00 0.00 H new ATOM 0 HG1 THR A 118 -13.319 -6.146 -4.799 1.00 0.00 H new ATOM 0 HG21 THR A 118 -11.757 -7.761 -3.983 1.00 0.00 H new ATOM 0 HG22 THR A 118 -10.238 -7.946 -4.891 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.524 -6.478 -3.926 1.00 0.00 H new ATOM 1124 N PRO A 119 -8.298 -6.537 -7.052 1.00 0.00 N ATOM 1125 CA PRO A 119 -7.238 -7.408 -7.567 1.00 0.00 C ATOM 1126 C PRO A 119 -7.050 -8.659 -6.715 1.00 0.00 C ATOM 1127 O PRO A 119 -7.777 -8.877 -5.746 1.00 0.00 O ATOM 1128 CB PRO A 119 -5.989 -6.524 -7.504 1.00 0.00 C ATOM 1129 CG PRO A 119 -6.263 -5.562 -6.401 1.00 0.00 C ATOM 1130 CD PRO A 119 -7.758 -5.341 -6.381 1.00 0.00 C ATOM 0 HA PRO A 119 -7.465 -7.777 -8.567 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -5.095 -7.115 -7.302 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.822 -6.006 -8.449 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -5.917 -5.959 -5.446 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -5.735 -4.623 -6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -8.135 -5.249 -5.363 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.035 -4.428 -6.907 1.00 0.00 H new ATOM 1138 N HIS A 120 -6.068 -9.476 -7.081 1.00 0.00 N ATOM 1139 CA HIS A 120 -5.783 -10.705 -6.350 1.00 0.00 C ATOM 1140 C HIS A 120 -4.389 -11.227 -6.685 1.00 0.00 C ATOM 1141 O HIS A 120 -4.093 -11.538 -7.839 1.00 0.00 O ATOM 1142 CB HIS A 120 -6.830 -11.770 -6.672 1.00 0.00 C ATOM 1143 CG HIS A 120 -8.228 -11.235 -6.745 1.00 0.00 C ATOM 1144 ND1 HIS A 120 -9.033 -11.081 -5.636 1.00 0.00 N ATOM 1145 CD2 HIS A 120 -8.961 -10.814 -7.802 1.00 0.00 C ATOM 1146 CE1 HIS A 120 -10.202 -10.591 -6.009 1.00 0.00 C ATOM 1147 NE2 HIS A 120 -10.183 -10.420 -7.319 1.00 0.00 N ATOM 0 H HIS A 120 -5.456 -9.309 -7.880 1.00 0.00 H new ATOM 0 HA HIS A 120 -5.821 -10.480 -5.284 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -6.579 -12.238 -7.624 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -6.788 -12.550 -5.912 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -8.643 -10.792 -8.834 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -11.032 -10.368 -5.355 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -10.952 -10.054 -7.880 1.00 0.00 H new ATOM 1155 N LEU A 121 -3.537 -11.319 -5.670 1.00 0.00 N ATOM 1156 CA LEU A 121 -2.174 -11.802 -5.858 1.00 0.00 C ATOM 1157 C LEU A 121 -2.040 -13.250 -5.394 1.00 0.00 C ATOM 1158 O LEU A 121 -2.415 -13.590 -4.271 1.00 0.00 O ATOM 1159 CB LEU A 121 -1.188 -10.918 -5.092 1.00 0.00 C ATOM 1160 CG LEU A 121 -0.803 -9.601 -5.769 1.00 0.00 C ATOM 1161 CD1 LEU A 121 -0.205 -8.636 -4.758 1.00 0.00 C ATOM 1162 CD2 LEU A 121 0.172 -9.854 -6.909 1.00 0.00 C ATOM 0 H LEU A 121 -3.766 -11.066 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.943 -11.757 -6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -1.617 -10.690 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -0.278 -11.492 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.705 -9.149 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.063 -7.705 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.935 -8.431 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 121 0.687 -9.079 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.435 -8.907 -7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.073 -10.328 -6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.292 -10.509 -7.646 1.00 0.00 H new ATOM 1174 N ARG A 122 -1.504 -14.098 -6.265 1.00 0.00 N ATOM 1175 CA ARG A 122 -1.320 -15.508 -5.944 1.00 0.00 C ATOM 1176 C ARG A 122 -2.598 -16.104 -5.364 1.00 0.00 C ATOM 1177 O ARG A 122 -2.554 -16.893 -4.420 1.00 0.00 O ATOM 1178 CB ARG A 122 -0.167 -15.682 -4.954 1.00 0.00 C ATOM 1179 CG ARG A 122 1.192 -15.323 -5.532 1.00 0.00 C ATOM 1180 CD ARG A 122 2.265 -15.289 -4.455 1.00 0.00 C ATOM 1181 NE ARG A 122 2.790 -16.621 -4.163 1.00 0.00 N ATOM 1182 CZ ARG A 122 3.732 -17.214 -4.887 1.00 0.00 C ATOM 1183 NH1 ARG A 122 4.250 -16.597 -5.940 1.00 0.00 N ATOM 1184 NH2 ARG A 122 4.157 -18.427 -4.558 1.00 0.00 N ATOM 0 H ARG A 122 -1.189 -13.833 -7.198 1.00 0.00 H new ATOM 0 HA ARG A 122 -1.079 -16.037 -6.866 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -0.355 -15.062 -4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -0.145 -16.717 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.466 -16.049 -6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.135 -14.351 -6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.080 -14.640 -4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.851 -14.855 -3.545 1.00 0.00 H new ATOM 0 HE ARG A 122 2.412 -17.123 -3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 122 3.925 -15.665 -6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.974 -17.055 -6.494 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.760 -18.904 -3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.881 -18.882 -5.114 1.00 0.00 H new ATOM 1198 N ASN A 123 -3.736 -15.722 -5.934 1.00 0.00 N ATOM 1199 CA ASN A 123 -5.028 -16.218 -5.472 1.00 0.00 C ATOM 1200 C ASN A 123 -5.276 -15.819 -4.021 1.00 0.00 C ATOM 1201 O ASN A 123 -5.752 -16.622 -3.220 1.00 0.00 O ATOM 1202 CB ASN A 123 -5.092 -17.740 -5.612 1.00 0.00 C ATOM 1203 CG ASN A 123 -6.516 -18.263 -5.590 1.00 0.00 C ATOM 1204 OD1 ASN A 123 -7.333 -17.905 -6.438 1.00 0.00 O ATOM 1205 ND2 ASN A 123 -6.818 -19.113 -4.615 1.00 0.00 N ATOM 0 H ASN A 123 -3.790 -15.070 -6.717 1.00 0.00 H new ATOM 0 HA ASN A 123 -5.805 -15.769 -6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -4.613 -18.037 -6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -4.526 -18.201 -4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -7.760 -19.497 -4.547 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -6.108 -19.381 -3.934 1.00 0.00 H new ATOM 1212 N GLN A 124 -4.950 -14.573 -3.692 1.00 0.00 N ATOM 1213 CA GLN A 124 -5.138 -14.068 -2.337 1.00 0.00 C ATOM 1214 C GLN A 124 -5.380 -12.562 -2.345 1.00 0.00 C ATOM 1215 O GLN A 124 -4.465 -11.762 -2.544 1.00 0.00 O ATOM 1216 CB GLN A 124 -3.917 -14.395 -1.474 1.00 0.00 C ATOM 1217 CG GLN A 124 -3.991 -15.759 -0.807 1.00 0.00 C ATOM 1218 CD GLN A 124 -3.185 -15.827 0.475 1.00 0.00 C ATOM 1219 OE1 GLN A 124 -3.193 -14.890 1.276 1.00 0.00 O ATOM 1220 NE2 GLN A 124 -2.485 -16.937 0.678 1.00 0.00 N ATOM 0 H GLN A 124 -4.555 -13.896 -4.344 1.00 0.00 H new ATOM 0 HA GLN A 124 -6.016 -14.556 -1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.022 -14.351 -2.094 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -3.810 -13.629 -0.706 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -5.032 -15.997 -0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -3.629 -16.518 -1.500 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -2.508 -17.688 -0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.925 -17.039 1.524 1.00 0.00 H new ATOM 1229 N PRO A 125 -6.642 -12.165 -2.127 1.00 0.00 N ATOM 1230 CA PRO A 125 -7.035 -10.753 -2.105 1.00 0.00 C ATOM 1231 C PRO A 125 -6.045 -9.888 -1.332 1.00 0.00 C ATOM 1232 O PRO A 125 -5.374 -10.364 -0.416 1.00 0.00 O ATOM 1233 CB PRO A 125 -8.393 -10.772 -1.399 1.00 0.00 C ATOM 1234 CG PRO A 125 -8.953 -12.121 -1.694 1.00 0.00 C ATOM 1235 CD PRO A 125 -7.784 -13.063 -1.883 1.00 0.00 C ATOM 0 HA PRO A 125 -7.067 -10.324 -3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -8.284 -10.614 -0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -9.045 -9.982 -1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -9.591 -12.459 -0.877 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -9.572 -12.092 -2.591 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -7.624 -13.683 -1.001 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -7.947 -13.739 -2.722 1.00 0.00 H new ATOM 1243 N ILE A 126 -5.959 -8.616 -1.707 1.00 0.00 N ATOM 1244 CA ILE A 126 -5.052 -7.685 -1.047 1.00 0.00 C ATOM 1245 C ILE A 126 -5.792 -6.439 -0.574 1.00 0.00 C ATOM 1246 O ILE A 126 -6.765 -6.009 -1.193 1.00 0.00 O ATOM 1247 CB ILE A 126 -3.903 -7.262 -1.980 1.00 0.00 C ATOM 1248 CG1 ILE A 126 -4.458 -6.596 -3.240 1.00 0.00 C ATOM 1249 CG2 ILE A 126 -3.046 -8.466 -2.344 1.00 0.00 C ATOM 1250 CD1 ILE A 126 -3.397 -5.925 -4.087 1.00 0.00 C ATOM 0 H ILE A 126 -6.506 -8.207 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 126 -4.636 -8.207 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 126 -3.277 -6.540 -1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -4.971 -7.346 -3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -5.203 -5.855 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.238 -8.151 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -2.625 -8.901 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -3.660 -9.210 -2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -3.862 -5.474 -4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -2.900 -5.151 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -2.664 -6.666 -4.406 1.00 0.00 H new ATOM 1262 N TYR A 127 -5.323 -5.861 0.527 1.00 0.00 N ATOM 1263 CA TYR A 127 -5.941 -4.663 1.084 1.00 0.00 C ATOM 1264 C TYR A 127 -5.113 -3.423 0.760 1.00 0.00 C ATOM 1265 O TYR A 127 -3.883 -3.475 0.727 1.00 0.00 O ATOM 1266 CB TYR A 127 -6.099 -4.804 2.599 1.00 0.00 C ATOM 1267 CG TYR A 127 -7.297 -5.630 3.009 1.00 0.00 C ATOM 1268 CD1 TYR A 127 -7.589 -6.828 2.369 1.00 0.00 C ATOM 1269 CD2 TYR A 127 -8.136 -5.213 4.034 1.00 0.00 C ATOM 1270 CE1 TYR A 127 -8.684 -7.587 2.739 1.00 0.00 C ATOM 1271 CE2 TYR A 127 -9.232 -5.966 4.412 1.00 0.00 C ATOM 1272 CZ TYR A 127 -9.501 -7.151 3.761 1.00 0.00 C ATOM 1273 OH TYR A 127 -10.592 -7.903 4.134 1.00 0.00 O ATOM 0 H TYR A 127 -4.517 -6.203 1.051 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.926 -4.548 0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.197 -5.259 3.009 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -6.184 -3.811 3.041 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -6.950 -7.172 1.569 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -7.929 -4.284 4.545 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -8.898 -8.516 2.231 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -9.874 -5.628 5.212 1.00 0.00 H new ATOM 0 HH TYR A 127 -11.062 -7.456 4.869 1.00 0.00 H new ATOM 1283 N ILE A 128 -5.797 -2.308 0.525 1.00 0.00 N ATOM 1284 CA ILE A 128 -5.126 -1.054 0.206 1.00 0.00 C ATOM 1285 C ILE A 128 -5.889 0.137 0.776 1.00 0.00 C ATOM 1286 O ILE A 128 -7.103 0.247 0.607 1.00 0.00 O ATOM 1287 CB ILE A 128 -4.971 -0.869 -1.315 1.00 0.00 C ATOM 1288 CG1 ILE A 128 -4.151 -2.017 -1.908 1.00 0.00 C ATOM 1289 CG2 ILE A 128 -4.317 0.469 -1.622 1.00 0.00 C ATOM 1290 CD1 ILE A 128 -4.311 -2.163 -3.406 1.00 0.00 C ATOM 0 H ILE A 128 -6.815 -2.248 0.550 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.136 -1.101 0.661 1.00 0.00 H new ATOM 0 HB ILE A 128 -5.961 -0.880 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -3.098 -1.858 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.445 -2.950 -1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -4.214 0.585 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -4.935 1.275 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -3.332 0.507 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -3.702 -2.996 -3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -5.358 -2.354 -3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -3.989 -1.245 -3.897 1.00 0.00 H new ATOM 1302 N GLN A 129 -5.167 1.026 1.450 1.00 0.00 N ATOM 1303 CA GLN A 129 -5.777 2.212 2.044 1.00 0.00 C ATOM 1304 C GLN A 129 -4.710 3.167 2.568 1.00 0.00 C ATOM 1305 O GLN A 129 -3.567 2.773 2.796 1.00 0.00 O ATOM 1306 CB GLN A 129 -6.721 1.811 3.179 1.00 0.00 C ATOM 1307 CG GLN A 129 -7.259 2.993 3.968 1.00 0.00 C ATOM 1308 CD GLN A 129 -8.128 2.568 5.136 1.00 0.00 C ATOM 1309 OE1 GLN A 129 -7.965 1.476 5.681 1.00 0.00 O ATOM 1310 NE2 GLN A 129 -9.058 3.431 5.526 1.00 0.00 N ATOM 0 H GLN A 129 -4.161 0.949 1.599 1.00 0.00 H new ATOM 0 HA GLN A 129 -6.348 2.724 1.269 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -7.558 1.251 2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -6.195 1.140 3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -6.424 3.588 4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -7.838 3.635 3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.158 4.325 5.045 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.673 3.200 6.306 1.00 0.00 H new ATOM 1319 N TYR A 130 -5.092 4.426 2.755 1.00 0.00 N ATOM 1320 CA TYR A 130 -4.167 5.440 3.249 1.00 0.00 C ATOM 1321 C TYR A 130 -3.778 5.163 4.698 1.00 0.00 C ATOM 1322 O TYR A 130 -4.622 4.813 5.524 1.00 0.00 O ATOM 1323 CB TYR A 130 -4.793 6.830 3.134 1.00 0.00 C ATOM 1324 CG TYR A 130 -5.509 7.066 1.824 1.00 0.00 C ATOM 1325 CD1 TYR A 130 -4.924 6.705 0.616 1.00 0.00 C ATOM 1326 CD2 TYR A 130 -6.769 7.650 1.793 1.00 0.00 C ATOM 1327 CE1 TYR A 130 -5.574 6.920 -0.584 1.00 0.00 C ATOM 1328 CE2 TYR A 130 -7.427 7.868 0.597 1.00 0.00 C ATOM 1329 CZ TYR A 130 -6.825 7.501 -0.588 1.00 0.00 C ATOM 1330 OH TYR A 130 -7.476 7.716 -1.782 1.00 0.00 O ATOM 0 H TYR A 130 -6.035 4.769 2.572 1.00 0.00 H new ATOM 0 HA TYR A 130 -3.266 5.403 2.637 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -5.498 6.971 3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.012 7.582 3.252 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -3.945 6.249 0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -7.243 7.939 2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -5.105 6.635 -1.514 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -8.406 8.323 0.591 1.00 0.00 H new ATOM 0 HH TYR A 130 -8.346 8.132 -1.610 1.00 0.00 H new ATOM 1340 N SER A 131 -2.493 5.321 4.999 1.00 0.00 N ATOM 1341 CA SER A 131 -1.990 5.085 6.348 1.00 0.00 C ATOM 1342 C SER A 131 -2.328 6.255 7.266 1.00 0.00 C ATOM 1343 O SER A 131 -2.951 7.228 6.846 1.00 0.00 O ATOM 1344 CB SER A 131 -0.476 4.864 6.318 1.00 0.00 C ATOM 1345 OG SER A 131 -0.048 4.110 7.439 1.00 0.00 O ATOM 0 H SER A 131 -1.782 5.611 4.328 1.00 0.00 H new ATOM 0 HA SER A 131 -2.473 4.189 6.739 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.199 4.346 5.400 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.035 5.827 6.307 1.00 0.00 H new ATOM 0 HG SER A 131 0.647 3.477 7.162 1.00 0.00 H new