USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 482 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 84 THR OG1 : rot 5:sc= -2.46! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 152:sc= -0.0425 (180deg=-0.76) USER MOD Single : A 96 LYS NZ :NH3+ 141:sc= -1.67 (180deg=-3.13!) USER MOD Single : A 101 HIS : no HD1:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 102 TYR OH : rot 84:sc= 0.976 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -111:sc= -0.0605 USER MOD Single : A 118 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0671) USER MOD Single : A 120 SER OG : rot 85:sc= 1.12 USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ -171:sc= -0.294 (180deg=-0.506) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 187 N THR A 84 8.997 -5.781 6.113 1.00 0.00 N ATOM 188 CA THR A 84 8.701 -7.198 5.946 1.00 0.00 C ATOM 189 C THR A 84 8.970 -7.651 4.516 1.00 0.00 C ATOM 190 O THR A 84 8.939 -8.845 4.216 1.00 0.00 O ATOM 191 CB THR A 84 7.235 -7.511 6.304 1.00 0.00 C ATOM 192 OG1 THR A 84 6.904 -8.842 5.891 1.00 0.00 O ATOM 193 CG2 THR A 84 6.292 -6.519 5.640 1.00 0.00 C ATOM 0 HA THR A 84 9.358 -7.741 6.626 1.00 0.00 H new ATOM 0 HB THR A 84 7.122 -7.427 7.385 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.706 -9.286 5.546 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.263 -6.760 5.907 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.528 -5.510 5.979 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.408 -6.575 4.558 1.00 0.00 H new ATOM 201 N PHE A 85 9.235 -6.691 3.636 1.00 0.00 N ATOM 202 CA PHE A 85 9.511 -6.992 2.236 1.00 0.00 C ATOM 203 C PHE A 85 8.580 -8.086 1.721 1.00 0.00 C ATOM 204 O PHE A 85 9.025 -9.059 1.115 1.00 0.00 O ATOM 205 CB PHE A 85 10.968 -7.424 2.062 1.00 0.00 C ATOM 206 CG PHE A 85 11.395 -7.529 0.626 1.00 0.00 C ATOM 207 CD1 PHE A 85 10.494 -7.288 -0.398 1.00 0.00 C ATOM 208 CD2 PHE A 85 12.698 -7.871 0.300 1.00 0.00 C ATOM 209 CE1 PHE A 85 10.883 -7.384 -1.721 1.00 0.00 C ATOM 210 CE2 PHE A 85 13.093 -7.969 -1.021 1.00 0.00 C ATOM 211 CZ PHE A 85 12.184 -7.726 -2.032 1.00 0.00 C ATOM 0 H PHE A 85 9.264 -5.698 3.868 1.00 0.00 H new ATOM 0 HA PHE A 85 9.336 -6.087 1.655 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.614 -6.710 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 85 11.113 -8.389 2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.475 -7.022 -0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 85 13.413 -8.063 1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.171 -7.192 -2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 85 14.111 -8.235 -1.262 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.491 -7.803 -3.065 1.00 0.00 H new ATOM 221 N GLU A 86 7.284 -7.917 1.969 1.00 0.00 N ATOM 222 CA GLU A 86 6.291 -8.891 1.533 1.00 0.00 C ATOM 223 C GLU A 86 5.205 -8.222 0.694 1.00 0.00 C ATOM 224 O GLU A 86 4.547 -8.869 -0.121 1.00 0.00 O ATOM 225 CB GLU A 86 5.661 -9.587 2.741 1.00 0.00 C ATOM 226 CG GLU A 86 4.840 -8.658 3.619 1.00 0.00 C ATOM 227 CD GLU A 86 4.484 -9.281 4.955 1.00 0.00 C ATOM 228 OE1 GLU A 86 5.064 -10.334 5.293 1.00 0.00 O ATOM 229 OE2 GLU A 86 3.625 -8.715 5.663 1.00 0.00 O ATOM 0 H GLU A 86 6.899 -7.116 2.469 1.00 0.00 H new ATOM 0 HA GLU A 86 6.796 -9.635 0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.024 -10.399 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.450 -10.038 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.398 -7.737 3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.925 -8.384 3.095 1.00 0.00 H new ATOM 236 N LEU A 87 5.024 -6.922 0.901 1.00 0.00 N ATOM 237 CA LEU A 87 4.018 -6.163 0.165 1.00 0.00 C ATOM 238 C LEU A 87 3.960 -6.608 -1.293 1.00 0.00 C ATOM 239 O LEU A 87 2.892 -6.623 -1.907 1.00 0.00 O ATOM 240 CB LEU A 87 4.323 -4.666 0.242 1.00 0.00 C ATOM 241 CG LEU A 87 4.915 -4.169 1.561 1.00 0.00 C ATOM 242 CD1 LEU A 87 4.303 -4.915 2.736 1.00 0.00 C ATOM 243 CD2 LEU A 87 6.429 -4.324 1.558 1.00 0.00 C ATOM 0 H LEU A 87 5.560 -6.372 1.572 1.00 0.00 H new ATOM 0 HA LEU A 87 3.047 -6.353 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.015 -4.415 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.401 -4.117 0.051 1.00 0.00 H new ATOM 0 HG LEU A 87 4.678 -3.110 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.737 -4.548 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.225 -4.752 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.508 -5.981 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.833 -3.965 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.687 -5.375 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.853 -3.743 0.739 1.00 0.00 H new ATOM 255 N LYS A 88 5.114 -6.972 -1.842 1.00 0.00 N ATOM 256 CA LYS A 88 5.195 -7.420 -3.227 1.00 0.00 C ATOM 257 C LYS A 88 4.154 -8.498 -3.512 1.00 0.00 C ATOM 258 O LYS A 88 4.241 -9.611 -2.995 1.00 0.00 O ATOM 259 CB LYS A 88 6.596 -7.957 -3.529 1.00 0.00 C ATOM 260 CG LYS A 88 7.020 -7.769 -4.976 1.00 0.00 C ATOM 261 CD LYS A 88 6.610 -8.954 -5.835 1.00 0.00 C ATOM 262 CE LYS A 88 7.587 -10.111 -5.691 1.00 0.00 C ATOM 263 NZ LYS A 88 8.819 -9.901 -6.501 1.00 0.00 N ATOM 0 H LYS A 88 6.007 -6.965 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 88 4.993 -6.565 -3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.315 -7.457 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.630 -9.019 -3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.571 -6.858 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.101 -7.639 -5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.611 -9.283 -5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.559 -8.647 -6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.858 -10.229 -4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.102 -11.037 -6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.459 -10.711 -6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.563 -9.814 -7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.296 -9.031 -6.188 1.00 0.00 H new ATOM 277 N GLY A 89 3.170 -8.160 -4.339 1.00 0.00 N ATOM 278 CA GLY A 89 2.127 -9.111 -4.679 1.00 0.00 C ATOM 279 C GLY A 89 0.851 -8.877 -3.895 1.00 0.00 C ATOM 280 O GLY A 89 -0.245 -9.156 -4.380 1.00 0.00 O ATOM 0 H GLY A 89 3.076 -7.245 -4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.912 -9.044 -5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.486 -10.123 -4.489 1.00 0.00 H new ATOM 284 N LYS A 90 0.993 -8.366 -2.677 1.00 0.00 N ATOM 285 CA LYS A 90 -0.156 -8.095 -1.821 1.00 0.00 C ATOM 286 C LYS A 90 -0.935 -6.883 -2.323 1.00 0.00 C ATOM 287 O LYS A 90 -0.413 -6.071 -3.087 1.00 0.00 O ATOM 288 CB LYS A 90 0.299 -7.861 -0.379 1.00 0.00 C ATOM 289 CG LYS A 90 0.378 -9.133 0.448 1.00 0.00 C ATOM 290 CD LYS A 90 1.581 -9.976 0.060 1.00 0.00 C ATOM 291 CE LYS A 90 2.029 -10.869 1.207 1.00 0.00 C ATOM 292 NZ LYS A 90 3.005 -11.900 0.758 1.00 0.00 N ATOM 0 H LYS A 90 1.894 -8.131 -2.260 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.812 -8.965 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.278 -7.383 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.390 -7.167 0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.438 -8.877 1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.534 -9.714 0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.332 -10.591 -0.805 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.403 -9.324 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.480 -10.258 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.160 -11.358 1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.286 -12.488 1.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.566 -12.500 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.845 -11.433 0.361 1.00 0.00 H new ATOM 306 N VAL A 91 -2.185 -6.767 -1.887 1.00 0.00 N ATOM 307 CA VAL A 91 -3.034 -5.652 -2.290 1.00 0.00 C ATOM 308 C VAL A 91 -3.199 -4.648 -1.155 1.00 0.00 C ATOM 309 O VAL A 91 -3.526 -5.018 -0.028 1.00 0.00 O ATOM 310 CB VAL A 91 -4.426 -6.139 -2.736 1.00 0.00 C ATOM 311 CG1 VAL A 91 -5.318 -4.958 -3.086 1.00 0.00 C ATOM 312 CG2 VAL A 91 -4.303 -7.094 -3.914 1.00 0.00 C ATOM 0 H VAL A 91 -2.632 -7.431 -1.255 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.540 -5.166 -3.132 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.887 -6.678 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.297 -5.321 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.431 -4.316 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.866 -4.389 -3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.295 -7.428 -4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.823 -6.583 -4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.703 -7.956 -3.622 1.00 0.00 H new ATOM 322 N GLY A 92 -2.971 -3.374 -1.460 1.00 0.00 N ATOM 323 CA GLY A 92 -3.100 -2.336 -0.455 1.00 0.00 C ATOM 324 C GLY A 92 -4.123 -1.284 -0.835 1.00 0.00 C ATOM 325 O GLY A 92 -4.545 -1.206 -1.989 1.00 0.00 O ATOM 0 H GLY A 92 -2.699 -3.043 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.384 -2.788 0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.132 -1.859 -0.304 1.00 0.00 H new ATOM 329 N LYS A 93 -4.525 -0.474 0.138 1.00 0.00 N ATOM 330 CA LYS A 93 -5.506 0.579 -0.099 1.00 0.00 C ATOM 331 C LYS A 93 -4.855 1.956 -0.023 1.00 0.00 C ATOM 332 O LYS A 93 -3.994 2.201 0.822 1.00 0.00 O ATOM 333 CB LYS A 93 -6.644 0.483 0.920 1.00 0.00 C ATOM 334 CG LYS A 93 -7.893 1.245 0.511 1.00 0.00 C ATOM 335 CD LYS A 93 -8.660 1.749 1.721 1.00 0.00 C ATOM 336 CE LYS A 93 -9.560 0.669 2.301 1.00 0.00 C ATOM 337 NZ LYS A 93 -8.797 -0.300 3.135 1.00 0.00 N ATOM 0 H LYS A 93 -4.187 -0.526 1.099 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.912 0.444 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.901 -0.566 1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.294 0.864 1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.615 2.088 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.536 0.598 -0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.958 2.087 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.262 2.612 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -10.340 1.132 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -10.058 0.137 1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.423 -0.701 3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.432 -1.065 2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.002 0.188 3.594 1.00 0.00 H new ATOM 351 N VAL A 94 -5.274 2.854 -0.910 1.00 0.00 N ATOM 352 CA VAL A 94 -4.734 4.208 -0.941 1.00 0.00 C ATOM 353 C VAL A 94 -5.432 5.102 0.077 1.00 0.00 C ATOM 354 O VAL A 94 -6.555 5.556 -0.147 1.00 0.00 O ATOM 355 CB VAL A 94 -4.873 4.835 -2.341 1.00 0.00 C ATOM 356 CG1 VAL A 94 -3.841 4.251 -3.294 1.00 0.00 C ATOM 357 CG2 VAL A 94 -6.282 4.631 -2.878 1.00 0.00 C ATOM 0 H VAL A 94 -5.986 2.668 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.676 4.133 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.691 5.907 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.955 4.706 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.840 4.454 -2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.988 3.174 -3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.363 5.080 -3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.495 3.564 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.999 5.102 -2.206 1.00 0.00 H new ATOM 367 N VAL A 95 -4.761 5.352 1.196 1.00 0.00 N ATOM 368 CA VAL A 95 -5.316 6.194 2.249 1.00 0.00 C ATOM 369 C VAL A 95 -5.084 7.671 1.952 1.00 0.00 C ATOM 370 O VAL A 95 -5.775 8.539 2.485 1.00 0.00 O ATOM 371 CB VAL A 95 -4.703 5.855 3.621 1.00 0.00 C ATOM 372 CG1 VAL A 95 -5.468 4.719 4.282 1.00 0.00 C ATOM 373 CG2 VAL A 95 -3.230 5.501 3.473 1.00 0.00 C ATOM 0 H VAL A 95 -3.831 4.983 1.397 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.388 5.997 2.279 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.780 6.734 4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.020 4.494 5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -6.508 5.014 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.425 3.834 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.813 5.264 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.128 4.637 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.694 6.348 3.045 1.00 0.00 H new ATOM 383 N LYS A 96 -4.107 7.950 1.096 1.00 0.00 N ATOM 384 CA LYS A 96 -3.783 9.322 0.724 1.00 0.00 C ATOM 385 C LYS A 96 -2.879 9.354 -0.504 1.00 0.00 C ATOM 386 O LYS A 96 -2.082 8.442 -0.723 1.00 0.00 O ATOM 387 CB LYS A 96 -3.102 10.041 1.891 1.00 0.00 C ATOM 388 CG LYS A 96 -3.369 11.535 1.924 1.00 0.00 C ATOM 389 CD LYS A 96 -2.352 12.302 1.096 1.00 0.00 C ATOM 390 CE LYS A 96 -1.144 12.703 1.928 1.00 0.00 C ATOM 391 NZ LYS A 96 -0.204 13.567 1.160 1.00 0.00 N ATOM 0 H LYS A 96 -3.525 7.243 0.646 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.713 9.836 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.442 9.599 2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.027 9.874 1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.372 11.735 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.341 11.888 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.028 11.688 0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.820 13.194 0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.477 13.233 2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.622 11.808 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.173 14.309 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.580 12.989 0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.708 14.007 0.364 1.00 0.00 H new ATOM 405 N ILE A 97 -3.007 10.411 -1.299 1.00 0.00 N ATOM 406 CA ILE A 97 -2.199 10.562 -2.503 1.00 0.00 C ATOM 407 C ILE A 97 -1.512 11.923 -2.537 1.00 0.00 C ATOM 408 O ILE A 97 -2.067 12.921 -2.079 1.00 0.00 O ATOM 409 CB ILE A 97 -3.050 10.397 -3.776 1.00 0.00 C ATOM 410 CG1 ILE A 97 -3.675 9.001 -3.821 1.00 0.00 C ATOM 411 CG2 ILE A 97 -2.202 10.644 -5.016 1.00 0.00 C ATOM 412 CD1 ILE A 97 -5.020 8.919 -3.134 1.00 0.00 C ATOM 0 H ILE A 97 -3.662 11.175 -1.131 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.443 9.777 -2.477 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.853 11.134 -3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.788 8.696 -4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.993 8.291 -3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.817 10.524 -5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.800 11.657 -4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.380 9.928 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.403 7.901 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.910 9.193 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.717 9.604 -3.617 1.00 0.00 H new ATOM 424 N ALA A 98 -0.301 11.955 -3.084 1.00 0.00 N ATOM 425 CA ALA A 98 0.460 13.194 -3.181 1.00 0.00 C ATOM 426 C ALA A 98 1.492 13.118 -4.301 1.00 0.00 C ATOM 427 O ALA A 98 2.256 12.157 -4.389 1.00 0.00 O ATOM 428 CB ALA A 98 1.140 13.501 -1.855 1.00 0.00 C ATOM 0 H ALA A 98 0.174 11.137 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.235 14.000 -3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.705 14.429 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.386 13.607 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.817 12.687 -1.596 1.00 0.00 H new ATOM 434 N GLU A 99 1.508 14.136 -5.156 1.00 0.00 N ATOM 435 CA GLU A 99 2.446 14.182 -6.271 1.00 0.00 C ATOM 436 C GLU A 99 3.833 13.717 -5.835 1.00 0.00 C ATOM 437 O GLU A 99 4.417 12.818 -6.440 1.00 0.00 O ATOM 438 CB GLU A 99 2.527 15.600 -6.841 1.00 0.00 C ATOM 439 CG GLU A 99 2.865 15.642 -8.321 1.00 0.00 C ATOM 440 CD GLU A 99 4.011 14.717 -8.685 1.00 0.00 C ATOM 441 OE1 GLU A 99 5.177 15.090 -8.438 1.00 0.00 O ATOM 442 OE2 GLU A 99 3.740 13.620 -9.216 1.00 0.00 O ATOM 0 H GLU A 99 0.882 14.939 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 99 2.082 13.507 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.573 16.102 -6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.280 16.162 -6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 99 1.983 15.366 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.124 16.663 -8.602 1.00 0.00 H new ATOM 449 N ASP A 100 4.354 14.337 -4.782 1.00 0.00 N ATOM 450 CA ASP A 100 5.672 13.988 -4.264 1.00 0.00 C ATOM 451 C ASP A 100 5.750 12.500 -3.937 1.00 0.00 C ATOM 452 O ASP A 100 6.792 11.868 -4.115 1.00 0.00 O ATOM 453 CB ASP A 100 5.988 14.815 -3.016 1.00 0.00 C ATOM 454 CG ASP A 100 7.477 15.022 -2.822 1.00 0.00 C ATOM 455 OD1 ASP A 100 8.213 14.016 -2.762 1.00 0.00 O ATOM 456 OD2 ASP A 100 7.906 16.191 -2.729 1.00 0.00 O ATOM 0 H ASP A 100 3.884 15.084 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 100 6.410 14.211 -5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.496 15.785 -3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.576 14.316 -2.139 1.00 0.00 H new ATOM 461 N HIS A 101 4.642 11.946 -3.456 1.00 0.00 N ATOM 462 CA HIS A 101 4.585 10.532 -3.104 1.00 0.00 C ATOM 463 C HIS A 101 3.170 10.129 -2.701 1.00 0.00 C ATOM 464 O HIS A 101 2.395 10.951 -2.210 1.00 0.00 O ATOM 465 CB HIS A 101 5.558 10.229 -1.964 1.00 0.00 C ATOM 466 CG HIS A 101 5.177 10.868 -0.665 1.00 0.00 C ATOM 467 ND1 HIS A 101 5.423 12.194 -0.378 1.00 0.00 N ATOM 468 CD2 HIS A 101 4.561 10.357 0.427 1.00 0.00 C ATOM 469 CE1 HIS A 101 4.978 12.470 0.835 1.00 0.00 C ATOM 470 NE2 HIS A 101 4.449 11.372 1.345 1.00 0.00 N ATOM 0 H HIS A 101 3.772 12.455 -3.301 1.00 0.00 H new ATOM 0 HA HIS A 101 4.873 9.953 -3.981 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.617 9.150 -1.825 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.554 10.568 -2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 101 4.221 9.340 0.553 1.00 0.00 H new ATOM 0 HE1 HIS A 101 5.037 13.430 1.326 1.00 0.00 H new ATOM 0 HE2 HIS A 101 4.026 11.291 2.270 1.00 0.00 H new ATOM 479 N TYR A 102 2.838 8.860 -2.911 1.00 0.00 N ATOM 480 CA TYR A 102 1.516 8.348 -2.573 1.00 0.00 C ATOM 481 C TYR A 102 1.562 7.523 -1.291 1.00 0.00 C ATOM 482 O TYR A 102 2.586 6.924 -0.961 1.00 0.00 O ATOM 483 CB TYR A 102 0.965 7.499 -3.720 1.00 0.00 C ATOM 484 CG TYR A 102 0.928 8.224 -5.046 1.00 0.00 C ATOM 485 CD1 TYR A 102 2.093 8.709 -5.629 1.00 0.00 C ATOM 486 CD2 TYR A 102 -0.272 8.423 -5.718 1.00 0.00 C ATOM 487 CE1 TYR A 102 2.063 9.372 -6.840 1.00 0.00 C ATOM 488 CE2 TYR A 102 -0.311 9.084 -6.931 1.00 0.00 C ATOM 489 CZ TYR A 102 0.859 9.557 -7.487 1.00 0.00 C ATOM 490 OH TYR A 102 0.826 10.216 -8.694 1.00 0.00 O ATOM 0 H TYR A 102 3.468 8.166 -3.314 1.00 0.00 H new ATOM 0 HA TYR A 102 0.856 9.200 -2.411 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.576 6.602 -3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.043 7.171 -3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.038 8.565 -5.126 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.190 8.055 -5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.977 9.744 -7.278 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.252 9.229 -7.440 1.00 0.00 H new ATOM 0 HH TYR A 102 1.022 9.584 -9.417 1.00 0.00 H new ATOM 500 N LEU A 103 0.445 7.495 -0.572 1.00 0.00 N ATOM 501 CA LEU A 103 0.356 6.743 0.674 1.00 0.00 C ATOM 502 C LEU A 103 -0.541 5.520 0.509 1.00 0.00 C ATOM 503 O LEU A 103 -1.767 5.633 0.492 1.00 0.00 O ATOM 504 CB LEU A 103 -0.181 7.635 1.795 1.00 0.00 C ATOM 505 CG LEU A 103 0.867 8.396 2.608 1.00 0.00 C ATOM 506 CD1 LEU A 103 1.917 7.440 3.151 1.00 0.00 C ATOM 507 CD2 LEU A 103 1.517 9.479 1.760 1.00 0.00 C ATOM 0 H LEU A 103 -0.412 7.985 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 103 1.358 6.404 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.869 8.359 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.762 7.016 2.478 1.00 0.00 H new ATOM 0 HG LEU A 103 0.369 8.874 3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.655 7.999 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.439 6.701 3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.412 6.934 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.260 10.010 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.002 9.023 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.756 10.181 1.420 1.00 0.00 H new ATOM 519 N VAL A 104 0.079 4.350 0.390 1.00 0.00 N ATOM 520 CA VAL A 104 -0.663 3.105 0.229 1.00 0.00 C ATOM 521 C VAL A 104 -0.576 2.248 1.487 1.00 0.00 C ATOM 522 O VAL A 104 0.477 1.695 1.801 1.00 0.00 O ATOM 523 CB VAL A 104 -0.141 2.292 -0.970 1.00 0.00 C ATOM 524 CG1 VAL A 104 -1.249 1.426 -1.551 1.00 0.00 C ATOM 525 CG2 VAL A 104 0.435 3.217 -2.031 1.00 0.00 C ATOM 0 H VAL A 104 1.093 4.238 0.402 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.703 3.377 0.049 1.00 0.00 H new ATOM 0 HB VAL A 104 0.656 1.635 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.862 0.859 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.611 0.737 -0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.070 2.061 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.799 2.625 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.340 3.900 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.260 3.789 -1.606 1.00 0.00 H new ATOM 535 N GLU A 105 -1.692 2.141 2.202 1.00 0.00 N ATOM 536 CA GLU A 105 -1.741 1.351 3.426 1.00 0.00 C ATOM 537 C GLU A 105 -1.720 -0.142 3.111 1.00 0.00 C ATOM 538 O GLU A 105 -2.743 -0.728 2.757 1.00 0.00 O ATOM 539 CB GLU A 105 -2.995 1.696 4.232 1.00 0.00 C ATOM 540 CG GLU A 105 -3.135 0.891 5.514 1.00 0.00 C ATOM 541 CD GLU A 105 -4.573 0.791 5.985 1.00 0.00 C ATOM 542 OE1 GLU A 105 -5.353 0.047 5.354 1.00 0.00 O ATOM 543 OE2 GLU A 105 -4.918 1.456 6.983 1.00 0.00 O ATOM 0 H GLU A 105 -2.573 2.591 1.955 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.859 1.592 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -2.977 2.757 4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.874 1.529 3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.738 -0.112 5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.532 1.352 6.296 1.00 0.00 H new ATOM 550 N VAL A 106 -0.546 -0.752 3.243 1.00 0.00 N ATOM 551 CA VAL A 106 -0.391 -2.177 2.973 1.00 0.00 C ATOM 552 C VAL A 106 -0.176 -2.960 4.263 1.00 0.00 C ATOM 553 O VAL A 106 0.591 -2.546 5.131 1.00 0.00 O ATOM 554 CB VAL A 106 0.791 -2.442 2.022 1.00 0.00 C ATOM 555 CG1 VAL A 106 0.859 -3.916 1.652 1.00 0.00 C ATOM 556 CG2 VAL A 106 0.677 -1.575 0.777 1.00 0.00 C ATOM 0 H VAL A 106 0.311 -0.282 3.535 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.313 -2.512 2.497 1.00 0.00 H new ATOM 0 HB VAL A 106 1.715 -2.179 2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.700 -4.084 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.992 -4.512 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.066 -4.210 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.520 -1.775 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.254 -1.804 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.682 -0.524 1.064 1.00 0.00 H new ATOM 566 N GLU A 107 -0.860 -4.094 4.381 1.00 0.00 N ATOM 567 CA GLU A 107 -0.743 -4.936 5.566 1.00 0.00 C ATOM 568 C GLU A 107 -0.957 -4.118 6.837 1.00 0.00 C ATOM 569 O GLU A 107 -0.474 -4.480 7.909 1.00 0.00 O ATOM 570 CB GLU A 107 0.629 -5.612 5.606 1.00 0.00 C ATOM 571 CG GLU A 107 1.753 -4.682 6.029 1.00 0.00 C ATOM 572 CD GLU A 107 2.925 -5.425 6.641 1.00 0.00 C ATOM 573 OE1 GLU A 107 2.691 -6.439 7.330 1.00 0.00 O ATOM 574 OE2 GLU A 107 4.077 -4.990 6.431 1.00 0.00 O ATOM 0 H GLU A 107 -1.500 -4.450 3.671 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.516 -5.703 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.589 -6.456 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.855 -6.016 4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.098 -4.117 5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.370 -3.959 6.749 1.00 0.00 H new ATOM 581 N GLY A 108 -1.684 -3.013 6.707 1.00 0.00 N ATOM 582 CA GLY A 108 -1.949 -2.160 7.852 1.00 0.00 C ATOM 583 C GLY A 108 -0.819 -1.187 8.123 1.00 0.00 C ATOM 584 O GLY A 108 -0.596 -0.787 9.266 1.00 0.00 O ATOM 0 H GLY A 108 -2.094 -2.693 5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -2.871 -1.604 7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.110 -2.780 8.734 1.00 0.00 H new ATOM 588 N ASP A 109 -0.104 -0.805 7.071 1.00 0.00 N ATOM 589 CA ASP A 109 1.009 0.128 7.201 1.00 0.00 C ATOM 590 C ASP A 109 1.120 1.018 5.967 1.00 0.00 C ATOM 591 O ASP A 109 1.198 0.528 4.840 1.00 0.00 O ATOM 592 CB ASP A 109 2.318 -0.634 7.415 1.00 0.00 C ATOM 593 CG ASP A 109 2.578 -0.941 8.876 1.00 0.00 C ATOM 594 OD1 ASP A 109 2.383 -0.037 9.716 1.00 0.00 O ATOM 595 OD2 ASP A 109 2.975 -2.085 9.181 1.00 0.00 O ATOM 0 H ASP A 109 -0.275 -1.127 6.118 1.00 0.00 H new ATOM 0 HA ASP A 109 0.820 0.762 8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.289 -1.566 6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.146 -0.047 7.017 1.00 0.00 H new ATOM 600 N LYS A 110 1.125 2.328 6.187 1.00 0.00 N ATOM 601 CA LYS A 110 1.225 3.288 5.094 1.00 0.00 C ATOM 602 C LYS A 110 2.628 3.284 4.494 1.00 0.00 C ATOM 603 O LYS A 110 3.601 3.627 5.165 1.00 0.00 O ATOM 604 CB LYS A 110 0.875 4.693 5.588 1.00 0.00 C ATOM 605 CG LYS A 110 -0.587 5.058 5.397 1.00 0.00 C ATOM 606 CD LYS A 110 -0.872 6.478 5.857 1.00 0.00 C ATOM 607 CE LYS A 110 -1.348 6.511 7.301 1.00 0.00 C ATOM 608 NZ LYS A 110 -2.831 6.411 7.399 1.00 0.00 N ATOM 0 H LYS A 110 1.061 2.750 7.113 1.00 0.00 H new ATOM 0 HA LYS A 110 0.516 2.995 4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.125 4.770 6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.494 5.419 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.854 4.955 4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.213 4.361 5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.030 7.082 5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.629 6.925 5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.891 5.689 7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.014 7.436 7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.115 6.437 8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.267 7.209 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.148 5.517 6.972 1.00 0.00 H new ATOM 622 N TRP A 111 2.723 2.895 3.228 1.00 0.00 N ATOM 623 CA TRP A 111 4.006 2.848 2.537 1.00 0.00 C ATOM 624 C TRP A 111 4.190 4.071 1.645 1.00 0.00 C ATOM 625 O TRP A 111 3.309 4.928 1.563 1.00 0.00 O ATOM 626 CB TRP A 111 4.113 1.571 1.701 1.00 0.00 C ATOM 627 CG TRP A 111 4.252 0.329 2.529 1.00 0.00 C ATOM 628 CD1 TRP A 111 3.241 -0.456 3.005 1.00 0.00 C ATOM 629 CD2 TRP A 111 5.473 -0.268 2.980 1.00 0.00 C ATOM 630 NE1 TRP A 111 3.760 -1.506 3.724 1.00 0.00 N ATOM 631 CE2 TRP A 111 5.126 -1.413 3.723 1.00 0.00 C ATOM 632 CE3 TRP A 111 6.824 0.052 2.826 1.00 0.00 C ATOM 633 CZ2 TRP A 111 6.083 -2.237 4.310 1.00 0.00 C ATOM 634 CZ3 TRP A 111 7.773 -0.766 3.410 1.00 0.00 C ATOM 635 CH2 TRP A 111 7.399 -1.900 4.144 1.00 0.00 C ATOM 0 H TRP A 111 1.927 2.608 2.659 1.00 0.00 H new ATOM 0 HA TRP A 111 4.795 2.848 3.289 1.00 0.00 H new ATOM 0 HB2 TRP A 111 3.228 1.482 1.071 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.971 1.653 1.034 1.00 0.00 H new ATOM 0 HD1 TRP A 111 2.189 -0.278 2.841 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.216 -2.236 4.184 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.122 0.923 2.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 5.797 -3.111 4.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.820 -0.527 3.299 1.00 0.00 H new ATOM 0 HH2 TRP A 111 8.164 -2.520 4.587 1.00 0.00 H new ATOM 646 N ILE A 112 5.337 4.145 0.979 1.00 0.00 N ATOM 647 CA ILE A 112 5.633 5.263 0.092 1.00 0.00 C ATOM 648 C ILE A 112 5.809 4.792 -1.347 1.00 0.00 C ATOM 649 O ILE A 112 6.912 4.439 -1.765 1.00 0.00 O ATOM 650 CB ILE A 112 6.905 6.011 0.535 1.00 0.00 C ATOM 651 CG1 ILE A 112 6.743 6.538 1.962 1.00 0.00 C ATOM 652 CG2 ILE A 112 7.211 7.151 -0.425 1.00 0.00 C ATOM 653 CD1 ILE A 112 6.942 5.479 3.023 1.00 0.00 C ATOM 0 H ILE A 112 6.076 3.445 1.037 1.00 0.00 H new ATOM 0 HA ILE A 112 4.783 5.943 0.147 1.00 0.00 H new ATOM 0 HB ILE A 112 7.742 5.314 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.458 7.344 2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.747 6.968 2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.112 7.670 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.365 6.751 -1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.375 7.850 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.812 5.924 4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.210 4.683 2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.947 5.066 2.941 1.00 0.00 H new ATOM 665 N ALA A 113 4.715 4.790 -2.102 1.00 0.00 N ATOM 666 CA ALA A 113 4.749 4.366 -3.496 1.00 0.00 C ATOM 667 C ALA A 113 4.377 5.514 -4.428 1.00 0.00 C ATOM 668 O ALA A 113 3.855 6.539 -3.989 1.00 0.00 O ATOM 669 CB ALA A 113 3.814 3.185 -3.711 1.00 0.00 C ATOM 0 H ALA A 113 3.794 5.077 -1.771 1.00 0.00 H new ATOM 0 HA ALA A 113 5.767 4.057 -3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.849 2.879 -4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 113 4.126 2.354 -3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.796 3.475 -3.452 1.00 0.00 H new ATOM 675 N TYR A 114 4.648 5.335 -5.716 1.00 0.00 N ATOM 676 CA TYR A 114 4.345 6.358 -6.710 1.00 0.00 C ATOM 677 C TYR A 114 3.712 5.739 -7.952 1.00 0.00 C ATOM 678 O TYR A 114 4.227 4.769 -8.508 1.00 0.00 O ATOM 679 CB TYR A 114 5.615 7.117 -7.096 1.00 0.00 C ATOM 680 CG TYR A 114 6.844 6.240 -7.175 1.00 0.00 C ATOM 681 CD1 TYR A 114 7.420 5.712 -6.026 1.00 0.00 C ATOM 682 CD2 TYR A 114 7.431 5.940 -8.398 1.00 0.00 C ATOM 683 CE1 TYR A 114 8.543 4.911 -6.093 1.00 0.00 C ATOM 684 CE2 TYR A 114 8.553 5.139 -8.475 1.00 0.00 C ATOM 685 CZ TYR A 114 9.106 4.627 -7.320 1.00 0.00 C ATOM 686 OH TYR A 114 10.225 3.829 -7.392 1.00 0.00 O ATOM 0 H TYR A 114 5.077 4.491 -6.096 1.00 0.00 H new ATOM 0 HA TYR A 114 3.633 7.056 -6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 114 5.461 7.600 -8.061 1.00 0.00 H new ATOM 0 HB3 TYR A 114 5.790 7.909 -6.368 1.00 0.00 H new ATOM 0 HD1 TYR A 114 6.982 5.932 -5.064 1.00 0.00 H new ATOM 0 HD2 TYR A 114 7.002 6.340 -9.305 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.978 4.509 -5.190 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.995 4.915 -9.434 1.00 0.00 H new ATOM 0 HH TYR A 114 10.494 3.727 -8.329 1.00 0.00 H new ATOM 696 N SER A 115 2.591 6.308 -8.384 1.00 0.00 N ATOM 697 CA SER A 115 1.884 5.812 -9.559 1.00 0.00 C ATOM 698 C SER A 115 1.790 6.892 -10.632 1.00 0.00 C ATOM 699 O SER A 115 1.427 8.034 -10.350 1.00 0.00 O ATOM 700 CB SER A 115 0.482 5.336 -9.173 1.00 0.00 C ATOM 701 OG SER A 115 -0.416 5.461 -10.262 1.00 0.00 O ATOM 0 H SER A 115 2.153 7.113 -7.937 1.00 0.00 H new ATOM 0 HA SER A 115 2.447 4.971 -9.964 1.00 0.00 H new ATOM 0 HB2 SER A 115 0.524 4.296 -8.849 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.117 5.919 -8.327 1.00 0.00 H new ATOM 0 HG SER A 115 -1.071 6.163 -10.067 1.00 0.00 H new ATOM 707 N ASP A 116 2.119 6.521 -11.865 1.00 0.00 N ATOM 708 CA ASP A 116 2.071 7.456 -12.983 1.00 0.00 C ATOM 709 C ASP A 116 0.630 7.826 -13.321 1.00 0.00 C ATOM 710 O ASP A 116 0.375 8.849 -13.955 1.00 0.00 O ATOM 711 CB ASP A 116 2.757 6.854 -14.210 1.00 0.00 C ATOM 712 CG ASP A 116 4.266 6.986 -14.152 1.00 0.00 C ATOM 713 OD1 ASP A 116 4.786 8.038 -14.581 1.00 0.00 O ATOM 714 OD2 ASP A 116 4.928 6.038 -13.680 1.00 0.00 O ATOM 0 H ASP A 116 2.422 5.580 -12.115 1.00 0.00 H new ATOM 0 HA ASP A 116 2.601 8.362 -12.689 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.490 5.800 -14.292 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.386 7.347 -15.109 1.00 0.00 H new ATOM 719 N GLU A 117 -0.307 6.985 -12.894 1.00 0.00 N ATOM 720 CA GLU A 117 -1.722 7.223 -13.153 1.00 0.00 C ATOM 721 C GLU A 117 -2.434 7.699 -11.890 1.00 0.00 C ATOM 722 O GLU A 117 -2.601 6.941 -10.935 1.00 0.00 O ATOM 723 CB GLU A 117 -2.388 5.950 -13.679 1.00 0.00 C ATOM 724 CG GLU A 117 -2.460 4.833 -12.652 1.00 0.00 C ATOM 725 CD GLU A 117 -2.736 3.480 -13.280 1.00 0.00 C ATOM 726 OE1 GLU A 117 -1.835 2.945 -13.958 1.00 0.00 O ATOM 727 OE2 GLU A 117 -3.855 2.957 -13.093 1.00 0.00 O ATOM 0 H GLU A 117 -0.112 6.133 -12.368 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.800 8.004 -13.909 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -3.397 6.190 -14.014 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -1.838 5.596 -14.551 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.520 4.789 -12.102 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.243 5.060 -11.928 1.00 0.00 H new ATOM 734 N LYS A 118 -2.852 8.960 -11.893 1.00 0.00 N ATOM 735 CA LYS A 118 -3.547 9.540 -10.750 1.00 0.00 C ATOM 736 C LYS A 118 -4.517 8.535 -10.136 1.00 0.00 C ATOM 737 O LYS A 118 -5.376 7.985 -10.827 1.00 0.00 O ATOM 738 CB LYS A 118 -4.302 10.802 -11.171 1.00 0.00 C ATOM 739 CG LYS A 118 -5.175 10.606 -12.399 1.00 0.00 C ATOM 740 CD LYS A 118 -5.789 11.917 -12.861 1.00 0.00 C ATOM 741 CE LYS A 118 -6.740 11.706 -14.029 1.00 0.00 C ATOM 742 NZ LYS A 118 -7.990 11.014 -13.609 1.00 0.00 N ATOM 0 H LYS A 118 -2.721 9.601 -12.676 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.802 9.804 -10.000 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -4.925 11.136 -10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -3.583 11.597 -11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -4.580 10.178 -13.205 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -5.967 9.892 -12.174 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -6.325 12.381 -12.033 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.998 12.607 -13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -6.990 12.670 -14.472 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -6.242 11.119 -14.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -8.679 11.039 -14.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -7.775 10.025 -13.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -8.390 11.494 -12.777 1.00 0.00 H new ATOM 756 N LEU A 119 -4.375 8.300 -8.836 1.00 0.00 N ATOM 757 CA LEU A 119 -5.240 7.362 -8.129 1.00 0.00 C ATOM 758 C LEU A 119 -6.368 8.097 -7.411 1.00 0.00 C ATOM 759 O LEU A 119 -6.385 9.327 -7.357 1.00 0.00 O ATOM 760 CB LEU A 119 -4.426 6.546 -7.124 1.00 0.00 C ATOM 761 CG LEU A 119 -3.089 6.001 -7.627 1.00 0.00 C ATOM 762 CD1 LEU A 119 -2.185 5.643 -6.458 1.00 0.00 C ATOM 763 CD2 LEU A 119 -3.311 4.791 -8.523 1.00 0.00 C ATOM 0 H LEU A 119 -3.669 8.746 -8.250 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.681 6.687 -8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.236 7.169 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.035 5.706 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.598 6.778 -8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.238 5.257 -6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -2.000 6.532 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.668 4.883 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.349 4.416 -8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -3.822 4.010 -7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -3.921 5.079 -9.379 1.00 0.00 H new ATOM 775 N SER A 120 -7.307 7.335 -6.860 1.00 0.00 N ATOM 776 CA SER A 120 -8.439 7.913 -6.146 1.00 0.00 C ATOM 777 C SER A 120 -8.522 7.366 -4.725 1.00 0.00 C ATOM 778 O SER A 120 -8.336 6.170 -4.495 1.00 0.00 O ATOM 779 CB SER A 120 -9.742 7.623 -6.894 1.00 0.00 C ATOM 780 OG SER A 120 -9.517 7.515 -8.289 1.00 0.00 O ATOM 0 H SER A 120 -7.306 6.316 -6.894 1.00 0.00 H new ATOM 0 HA SER A 120 -8.291 8.992 -6.093 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.181 6.698 -6.521 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.461 8.418 -6.699 1.00 0.00 H new ATOM 0 HG SER A 120 -9.233 6.602 -8.505 1.00 0.00 H new ATOM 786 N LEU A 121 -8.802 8.250 -3.773 1.00 0.00 N ATOM 787 CA LEU A 121 -8.911 7.857 -2.372 1.00 0.00 C ATOM 788 C LEU A 121 -9.786 6.617 -2.220 1.00 0.00 C ATOM 789 O LEU A 121 -10.960 6.625 -2.588 1.00 0.00 O ATOM 790 CB LEU A 121 -9.486 9.006 -1.543 1.00 0.00 C ATOM 791 CG LEU A 121 -8.470 9.998 -0.974 1.00 0.00 C ATOM 792 CD1 LEU A 121 -9.165 11.271 -0.518 1.00 0.00 C ATOM 793 CD2 LEU A 121 -7.697 9.368 0.176 1.00 0.00 C ATOM 0 H LEU A 121 -8.958 9.243 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 121 -7.911 7.620 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -10.193 9.557 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -10.053 8.581 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 121 -7.763 10.257 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -8.427 11.965 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -9.673 11.732 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -9.895 11.030 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -6.979 10.088 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -8.391 9.080 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -7.167 8.485 -0.182 1.00 0.00 H new ATOM 805 N GLY A 122 -9.206 5.553 -1.674 1.00 0.00 N ATOM 806 CA GLY A 122 -9.949 4.321 -1.481 1.00 0.00 C ATOM 807 C GLY A 122 -9.792 3.361 -2.643 1.00 0.00 C ATOM 808 O GLY A 122 -10.442 2.316 -2.687 1.00 0.00 O ATOM 0 H GLY A 122 -8.235 5.522 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -9.611 3.836 -0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -11.005 4.555 -1.347 1.00 0.00 H new ATOM 812 N ASP A 123 -8.929 3.715 -3.589 1.00 0.00 N ATOM 813 CA ASP A 123 -8.688 2.877 -4.758 1.00 0.00 C ATOM 814 C ASP A 123 -7.785 1.700 -4.406 1.00 0.00 C ATOM 815 O ASP A 123 -6.743 1.871 -3.774 1.00 0.00 O ATOM 816 CB ASP A 123 -8.058 3.702 -5.882 1.00 0.00 C ATOM 817 CG ASP A 123 -9.091 4.453 -6.698 1.00 0.00 C ATOM 818 OD1 ASP A 123 -10.299 4.207 -6.497 1.00 0.00 O ATOM 819 OD2 ASP A 123 -8.693 5.285 -7.539 1.00 0.00 O ATOM 0 H ASP A 123 -8.384 4.577 -3.569 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.647 2.486 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.350 4.412 -5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.490 3.043 -6.538 1.00 0.00 H new ATOM 824 N ARG A 124 -8.192 0.504 -4.819 1.00 0.00 N ATOM 825 CA ARG A 124 -7.421 -0.703 -4.546 1.00 0.00 C ATOM 826 C ARG A 124 -6.253 -0.833 -5.519 1.00 0.00 C ATOM 827 O ARG A 124 -6.420 -0.684 -6.729 1.00 0.00 O ATOM 828 CB ARG A 124 -8.317 -1.939 -4.639 1.00 0.00 C ATOM 829 CG ARG A 124 -8.983 -2.309 -3.324 1.00 0.00 C ATOM 830 CD ARG A 124 -10.067 -3.357 -3.524 1.00 0.00 C ATOM 831 NE ARG A 124 -11.370 -2.753 -3.785 1.00 0.00 N ATOM 832 CZ ARG A 124 -12.080 -2.110 -2.864 1.00 0.00 C ATOM 833 NH1 ARG A 124 -11.614 -1.987 -1.629 1.00 0.00 N ATOM 834 NH2 ARG A 124 -13.258 -1.586 -3.178 1.00 0.00 N ATOM 0 H ARG A 124 -9.052 0.345 -5.344 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.022 -0.628 -3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.087 -1.763 -5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.721 -2.784 -4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.233 -2.687 -2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -9.416 -1.417 -2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.795 -4.006 -4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.131 -3.987 -2.637 1.00 0.00 H new ATOM 0 HE ARG A 124 -11.757 -2.829 -4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.708 -2.386 -1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -12.161 -1.493 -0.924 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -13.620 -1.677 -4.127 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -13.802 -1.093 -2.470 1.00 0.00 H new ATOM 848 N VAL A 125 -5.070 -1.112 -4.981 1.00 0.00 N ATOM 849 CA VAL A 125 -3.874 -1.264 -5.801 1.00 0.00 C ATOM 850 C VAL A 125 -2.994 -2.398 -5.286 1.00 0.00 C ATOM 851 O VAL A 125 -2.882 -2.611 -4.079 1.00 0.00 O ATOM 852 CB VAL A 125 -3.048 0.036 -5.835 1.00 0.00 C ATOM 853 CG1 VAL A 125 -3.929 1.218 -6.209 1.00 0.00 C ATOM 854 CG2 VAL A 125 -2.368 0.270 -4.495 1.00 0.00 C ATOM 0 H VAL A 125 -4.914 -1.237 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 125 -4.211 -1.499 -6.811 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.274 -0.065 -6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.329 2.128 -6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.364 1.050 -7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -4.726 1.325 -5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -1.789 1.192 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.123 0.351 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -1.704 -0.565 -4.273 1.00 0.00 H new ATOM 864 N MET A 126 -2.372 -3.123 -6.210 1.00 0.00 N ATOM 865 CA MET A 126 -1.501 -4.235 -5.849 1.00 0.00 C ATOM 866 C MET A 126 -0.039 -3.889 -6.116 1.00 0.00 C ATOM 867 O MET A 126 0.301 -3.367 -7.178 1.00 0.00 O ATOM 868 CB MET A 126 -1.891 -5.491 -6.631 1.00 0.00 C ATOM 869 CG MET A 126 -1.117 -6.731 -6.214 1.00 0.00 C ATOM 870 SD MET A 126 -1.969 -8.260 -6.646 1.00 0.00 S ATOM 871 CE MET A 126 -1.724 -8.295 -8.420 1.00 0.00 C ATOM 0 H MET A 126 -2.455 -2.960 -7.214 1.00 0.00 H new ATOM 0 HA MET A 126 -1.622 -4.428 -4.783 1.00 0.00 H new ATOM 0 HB2 MET A 126 -2.957 -5.676 -6.497 1.00 0.00 H new ATOM 0 HB3 MET A 126 -1.729 -5.312 -7.694 1.00 0.00 H new ATOM 0 HG2 MET A 126 -0.136 -6.719 -6.690 1.00 0.00 H new ATOM 0 HG3 MET A 126 -0.949 -6.705 -5.137 1.00 0.00 H new ATOM 0 HE1 MET A 126 -2.196 -9.186 -8.835 1.00 0.00 H new ATOM 0 HE2 MET A 126 -2.170 -7.406 -8.867 1.00 0.00 H new ATOM 0 HE3 MET A 126 -0.657 -8.314 -8.640 1.00 0.00 H new ATOM 881 N VAL A 127 0.821 -4.184 -5.146 1.00 0.00 N ATOM 882 CA VAL A 127 2.246 -3.904 -5.277 1.00 0.00 C ATOM 883 C VAL A 127 2.883 -4.787 -6.345 1.00 0.00 C ATOM 884 O VAL A 127 2.946 -6.008 -6.200 1.00 0.00 O ATOM 885 CB VAL A 127 2.984 -4.117 -3.943 1.00 0.00 C ATOM 886 CG1 VAL A 127 4.477 -3.876 -4.114 1.00 0.00 C ATOM 887 CG2 VAL A 127 2.409 -3.210 -2.866 1.00 0.00 C ATOM 0 H VAL A 127 0.556 -4.617 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 127 2.338 -2.859 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 127 2.841 -5.151 -3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.982 -4.031 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.875 -4.571 -4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.644 -2.853 -4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.942 -3.374 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 127 2.520 -2.169 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.352 -3.436 -2.726 1.00 0.00 H new ATOM 897 N VAL A 128 3.356 -4.161 -7.418 1.00 0.00 N ATOM 898 CA VAL A 128 3.990 -4.889 -8.510 1.00 0.00 C ATOM 899 C VAL A 128 5.417 -5.288 -8.149 1.00 0.00 C ATOM 900 O VAL A 128 5.888 -6.360 -8.530 1.00 0.00 O ATOM 901 CB VAL A 128 4.014 -4.053 -9.803 1.00 0.00 C ATOM 902 CG1 VAL A 128 4.696 -2.715 -9.561 1.00 0.00 C ATOM 903 CG2 VAL A 128 4.706 -4.819 -10.920 1.00 0.00 C ATOM 0 H VAL A 128 3.312 -3.151 -7.554 1.00 0.00 H new ATOM 0 HA VAL A 128 3.396 -5.787 -8.678 1.00 0.00 H new ATOM 0 HB VAL A 128 2.986 -3.860 -10.109 1.00 0.00 H new ATOM 0 HG11 VAL A 128 4.704 -2.138 -10.486 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.153 -2.163 -8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.721 -2.884 -9.230 1.00 0.00 H new ATOM 0 HG21 VAL A 128 4.714 -4.213 -11.826 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.731 -5.045 -10.626 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.170 -5.749 -11.110 1.00 0.00 H new ATOM 913 N ASP A 129 6.099 -4.418 -7.412 1.00 0.00 N ATOM 914 CA ASP A 129 7.473 -4.680 -6.998 1.00 0.00 C ATOM 915 C ASP A 129 7.879 -3.759 -5.851 1.00 0.00 C ATOM 916 O ASP A 129 7.309 -2.683 -5.674 1.00 0.00 O ATOM 917 CB ASP A 129 8.428 -4.497 -8.178 1.00 0.00 C ATOM 918 CG ASP A 129 9.668 -5.362 -8.059 1.00 0.00 C ATOM 919 OD1 ASP A 129 10.572 -4.998 -7.279 1.00 0.00 O ATOM 920 OD2 ASP A 129 9.734 -6.403 -8.747 1.00 0.00 O ATOM 0 H ASP A 129 5.724 -3.526 -7.089 1.00 0.00 H new ATOM 0 HA ASP A 129 7.532 -5.712 -6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.907 -4.739 -9.104 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.724 -3.450 -8.243 1.00 0.00 H new ATOM 925 N VAL A 130 8.868 -4.191 -5.074 1.00 0.00 N ATOM 926 CA VAL A 130 9.350 -3.406 -3.944 1.00 0.00 C ATOM 927 C VAL A 130 10.856 -3.185 -4.032 1.00 0.00 C ATOM 928 O VAL A 130 11.631 -4.139 -4.096 1.00 0.00 O ATOM 929 CB VAL A 130 9.020 -4.089 -2.604 1.00 0.00 C ATOM 930 CG1 VAL A 130 9.325 -3.158 -1.441 1.00 0.00 C ATOM 931 CG2 VAL A 130 7.564 -4.530 -2.576 1.00 0.00 C ATOM 0 H VAL A 130 9.350 -5.080 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 130 8.841 -2.443 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 130 9.647 -4.975 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 130 9.086 -3.658 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 130 10.383 -2.896 -1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 130 8.725 -2.252 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 130 7.348 -5.011 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.918 -3.661 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.382 -5.235 -3.387 1.00 0.00 H new ATOM 941 N ASP A 131 11.264 -1.920 -4.034 1.00 0.00 N ATOM 942 CA ASP A 131 12.678 -1.573 -4.112 1.00 0.00 C ATOM 943 C ASP A 131 13.204 -1.128 -2.751 1.00 0.00 C ATOM 944 O ASP A 131 13.922 -0.134 -2.647 1.00 0.00 O ATOM 945 CB ASP A 131 12.898 -0.467 -5.145 1.00 0.00 C ATOM 946 CG ASP A 131 13.078 -1.012 -6.548 1.00 0.00 C ATOM 947 OD1 ASP A 131 12.307 -1.913 -6.937 1.00 0.00 O ATOM 948 OD2 ASP A 131 13.991 -0.538 -7.256 1.00 0.00 O ATOM 0 H ASP A 131 10.635 -1.118 -3.982 1.00 0.00 H new ATOM 0 HA ASP A 131 13.228 -2.462 -4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 131 12.048 0.215 -5.130 1.00 0.00 H new ATOM 0 HB3 ASP A 131 13.778 0.114 -4.869 1.00 0.00 H new ATOM 953 N GLY A 132 12.840 -1.869 -1.709 1.00 0.00 N ATOM 954 CA GLY A 132 13.283 -1.534 -0.368 1.00 0.00 C ATOM 955 C GLY A 132 12.203 -0.845 0.444 1.00 0.00 C ATOM 956 O GLY A 132 11.401 -1.503 1.107 1.00 0.00 O ATOM 0 H GLY A 132 12.246 -2.696 -1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 132 13.595 -2.443 0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 132 14.157 -0.886 -0.429 1.00 0.00 H new ATOM 960 N LEU A 133 12.184 0.482 0.393 1.00 0.00 N ATOM 961 CA LEU A 133 11.195 1.261 1.132 1.00 0.00 C ATOM 962 C LEU A 133 10.099 1.771 0.202 1.00 0.00 C ATOM 963 O LEU A 133 9.203 2.503 0.623 1.00 0.00 O ATOM 964 CB LEU A 133 11.869 2.438 1.838 1.00 0.00 C ATOM 965 CG LEU A 133 12.542 2.123 3.174 1.00 0.00 C ATOM 966 CD1 LEU A 133 13.443 3.272 3.603 1.00 0.00 C ATOM 967 CD2 LEU A 133 11.497 1.836 4.243 1.00 0.00 C ATOM 0 H LEU A 133 12.841 1.041 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 133 10.739 0.610 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 133 12.618 2.858 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.121 3.213 2.005 1.00 0.00 H new ATOM 0 HG LEU A 133 13.158 1.233 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 133 13.913 3.029 4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 133 14.213 3.432 2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 133 12.849 4.179 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 133 11.994 1.614 5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 133 10.855 2.708 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.893 0.980 3.941 1.00 0.00 H new ATOM 979 N LYS A 134 10.175 1.378 -1.065 1.00 0.00 N ATOM 980 CA LYS A 134 9.188 1.792 -2.055 1.00 0.00 C ATOM 981 C LYS A 134 8.563 0.580 -2.740 1.00 0.00 C ATOM 982 O LYS A 134 9.244 -0.406 -3.023 1.00 0.00 O ATOM 983 CB LYS A 134 9.835 2.703 -3.100 1.00 0.00 C ATOM 984 CG LYS A 134 10.715 3.786 -2.501 1.00 0.00 C ATOM 985 CD LYS A 134 9.926 5.054 -2.220 1.00 0.00 C ATOM 986 CE LYS A 134 10.813 6.288 -2.285 1.00 0.00 C ATOM 987 NZ LYS A 134 10.144 7.483 -1.698 1.00 0.00 N ATOM 0 H LYS A 134 10.910 0.773 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 134 8.401 2.342 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 134 10.433 2.095 -3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.052 3.171 -3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.162 3.422 -1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.534 4.010 -3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 134 9.116 5.148 -2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.466 4.987 -1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.744 6.095 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.076 6.492 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 10.712 8.331 -1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 9.199 7.593 -2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 10.053 7.360 -0.669 1.00 0.00 H new ATOM 1001 N LEU A 135 7.263 0.661 -3.003 1.00 0.00 N ATOM 1002 CA LEU A 135 6.546 -0.429 -3.657 1.00 0.00 C ATOM 1003 C LEU A 135 5.600 0.106 -4.727 1.00 0.00 C ATOM 1004 O LEU A 135 4.573 0.711 -4.417 1.00 0.00 O ATOM 1005 CB LEU A 135 5.761 -1.240 -2.624 1.00 0.00 C ATOM 1006 CG LEU A 135 5.313 -0.482 -1.374 1.00 0.00 C ATOM 1007 CD1 LEU A 135 4.020 -1.067 -0.829 1.00 0.00 C ATOM 1008 CD2 LEU A 135 6.403 -0.512 -0.313 1.00 0.00 C ATOM 0 H LEU A 135 6.684 1.469 -2.774 1.00 0.00 H new ATOM 0 HA LEU A 135 7.279 -1.077 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.877 -1.652 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.375 -2.084 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 135 5.130 0.557 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.717 -0.514 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.239 -0.992 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.175 -2.114 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 135 6.067 0.032 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 135 6.618 -1.546 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 135 7.306 -0.044 -0.706 1.00 0.00 H new ATOM 1020 N LYS A 136 5.951 -0.123 -5.987 1.00 0.00 N ATOM 1021 CA LYS A 136 5.132 0.333 -7.105 1.00 0.00 C ATOM 1022 C LYS A 136 3.735 -0.276 -7.040 1.00 0.00 C ATOM 1023 O LYS A 136 3.582 -1.495 -6.958 1.00 0.00 O ATOM 1024 CB LYS A 136 5.798 -0.033 -8.434 1.00 0.00 C ATOM 1025 CG LYS A 136 6.951 0.883 -8.808 1.00 0.00 C ATOM 1026 CD LYS A 136 8.246 0.447 -8.145 1.00 0.00 C ATOM 1027 CE LYS A 136 9.457 0.834 -8.980 1.00 0.00 C ATOM 1028 NZ LYS A 136 9.700 -0.132 -10.086 1.00 0.00 N ATOM 0 H LYS A 136 6.798 -0.622 -6.261 1.00 0.00 H new ATOM 0 HA LYS A 136 5.040 1.417 -7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.163 -1.059 -8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.050 -0.004 -9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.078 0.886 -9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 136 6.716 1.905 -8.512 1.00 0.00 H new ATOM 0 HD2 LYS A 136 8.322 0.903 -7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.235 -0.633 -7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 136 9.308 1.831 -9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 136 10.338 0.883 -8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 10.534 0.167 -10.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 9.867 -1.079 -9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 8.869 -0.160 -10.711 1.00 0.00 H new ATOM 1042 N VAL A 137 2.719 0.580 -7.077 1.00 0.00 N ATOM 1043 CA VAL A 137 1.334 0.125 -7.025 1.00 0.00 C ATOM 1044 C VAL A 137 0.645 0.308 -8.372 1.00 0.00 C ATOM 1045 O VAL A 137 0.895 1.281 -9.083 1.00 0.00 O ATOM 1046 CB VAL A 137 0.536 0.881 -5.946 1.00 0.00 C ATOM 1047 CG1 VAL A 137 1.125 0.623 -4.567 1.00 0.00 C ATOM 1048 CG2 VAL A 137 0.506 2.371 -6.251 1.00 0.00 C ATOM 0 H VAL A 137 2.828 1.592 -7.143 1.00 0.00 H new ATOM 0 HA VAL A 137 1.358 -0.935 -6.773 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.489 0.511 -5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.548 1.165 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.089 -0.445 -4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.160 0.963 -4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.062 2.889 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.525 2.758 -6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.034 2.535 -7.220 1.00 0.00 H new ATOM 1058 N LYS A 138 -0.225 -0.635 -8.718 1.00 0.00 N ATOM 1059 CA LYS A 138 -0.953 -0.579 -9.980 1.00 0.00 C ATOM 1060 C LYS A 138 -2.444 -0.814 -9.758 1.00 0.00 C ATOM 1061 O LYS A 138 -2.852 -1.882 -9.301 1.00 0.00 O ATOM 1062 CB LYS A 138 -0.402 -1.619 -10.957 1.00 0.00 C ATOM 1063 CG LYS A 138 0.928 -1.226 -11.577 1.00 0.00 C ATOM 1064 CD LYS A 138 1.180 -1.972 -12.876 1.00 0.00 C ATOM 1065 CE LYS A 138 1.846 -3.317 -12.627 1.00 0.00 C ATOM 1066 NZ LYS A 138 2.129 -4.040 -13.898 1.00 0.00 N ATOM 0 H LYS A 138 -0.443 -1.448 -8.142 1.00 0.00 H new ATOM 0 HA LYS A 138 -0.819 0.416 -10.405 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -0.284 -2.569 -10.435 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -1.130 -1.781 -11.752 1.00 0.00 H new ATOM 0 HG2 LYS A 138 0.940 -0.152 -11.765 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.734 -1.435 -10.874 1.00 0.00 H new ATOM 0 HD2 LYS A 138 0.236 -2.124 -13.399 1.00 0.00 H new ATOM 0 HD3 LYS A 138 1.811 -1.367 -13.527 1.00 0.00 H new ATOM 0 HE2 LYS A 138 2.777 -3.166 -12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 138 1.202 -3.930 -11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 2.583 -4.951 -13.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 1.238 -4.207 -14.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 2.764 -3.467 -14.489 1.00 0.00 H new ATOM 1080 N ARG A 139 -3.252 0.189 -10.086 1.00 0.00 N ATOM 1081 CA ARG A 139 -4.698 0.090 -9.923 1.00 0.00 C ATOM 1082 C ARG A 139 -5.218 -1.233 -10.478 1.00 0.00 C ATOM 1083 O ARG A 139 -4.833 -1.655 -11.569 1.00 0.00 O ATOM 1084 CB ARG A 139 -5.392 1.258 -10.626 1.00 0.00 C ATOM 1085 CG ARG A 139 -6.855 0.993 -10.946 1.00 0.00 C ATOM 1086 CD ARG A 139 -7.530 2.227 -11.525 1.00 0.00 C ATOM 1087 NE ARG A 139 -7.336 2.330 -12.969 1.00 0.00 N ATOM 1088 CZ ARG A 139 -7.944 3.234 -13.729 1.00 0.00 C ATOM 1089 NH1 ARG A 139 -8.779 4.108 -13.186 1.00 0.00 N ATOM 1090 NH2 ARG A 139 -7.715 3.264 -15.036 1.00 0.00 N ATOM 0 H ARG A 139 -2.930 1.079 -10.466 1.00 0.00 H new ATOM 0 HA ARG A 139 -4.923 0.131 -8.857 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -5.321 2.144 -9.996 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -4.861 1.482 -11.551 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -6.930 0.169 -11.656 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -7.376 0.683 -10.041 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.597 2.194 -11.304 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -7.132 3.119 -11.041 1.00 0.00 H new ATOM 0 HE ARG A 139 -6.699 1.672 -13.418 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -8.956 4.088 -12.182 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -9.244 4.801 -13.772 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -7.072 2.593 -15.457 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -8.182 3.958 -15.620 1.00 0.00 H new ATOM 1104 N ILE A 140 -6.095 -1.882 -9.719 1.00 0.00 N ATOM 1105 CA ILE A 140 -6.668 -3.157 -10.135 1.00 0.00 C ATOM 1106 C ILE A 140 -8.191 -3.118 -10.081 1.00 0.00 C ATOM 1107 O ILE A 140 -8.790 -2.513 -9.192 1.00 0.00 O ATOM 1108 CB ILE A 140 -6.163 -4.315 -9.255 1.00 0.00 C ATOM 1109 CG1 ILE A 140 -6.448 -4.024 -7.779 1.00 0.00 C ATOM 1110 CG2 ILE A 140 -4.675 -4.541 -9.478 1.00 0.00 C ATOM 1111 CD1 ILE A 140 -6.115 -5.180 -6.861 1.00 0.00 C ATOM 0 H ILE A 140 -6.424 -1.547 -8.814 1.00 0.00 H new ATOM 0 HA ILE A 140 -6.348 -3.327 -11.163 1.00 0.00 H new ATOM 0 HB ILE A 140 -6.694 -5.224 -9.537 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -5.874 -3.150 -7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -7.502 -3.771 -7.664 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -4.333 -5.363 -8.849 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -4.497 -4.787 -10.525 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -4.127 -3.635 -9.221 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -6.342 -4.904 -5.831 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.708 -6.050 -7.142 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -5.055 -5.420 -6.947 1.00 0.00 H new