USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=11 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 180:sc= -0.0596 USER MOD Single : A 88 LYS NZ :NH3+ 124:sc= -0.36 (180deg=-1.98!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.824 F(o=-1.8!,f=-0.82) USER MOD Single : A 102 TYR OH : rot 88:sc= 1.08 USER MOD Single : A 110 LYS NZ :NH3+ -173:sc= -0.837 (180deg=-1) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 111:sc= -1.43 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl -152:sc= -0.895 (180deg=-1.99) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00117) USER MOD Single : A 138 LYS NZ :NH3+ 152:sc= -0.0666 (180deg=-0.82) USER MOD ----------------------------------------------------------------- ATOM 187 N THR A 84 8.610 -4.921 6.504 1.00 0.00 N ATOM 188 CA THR A 84 8.528 -6.365 6.322 1.00 0.00 C ATOM 189 C THR A 84 9.144 -6.787 4.993 1.00 0.00 C ATOM 190 O THR A 84 9.598 -7.921 4.840 1.00 0.00 O ATOM 191 CB THR A 84 7.069 -6.856 6.377 1.00 0.00 C ATOM 192 OG1 THR A 84 7.027 -8.281 6.244 1.00 0.00 O ATOM 193 CG2 THR A 84 6.239 -6.214 5.276 1.00 0.00 C ATOM 0 HA THR A 84 9.088 -6.819 7.140 1.00 0.00 H new ATOM 0 HB THR A 84 6.648 -6.568 7.341 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.096 -8.586 6.281 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.213 -6.576 5.336 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.249 -5.131 5.397 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.660 -6.474 4.305 1.00 0.00 H new ATOM 201 N PHE A 85 9.158 -5.867 4.033 1.00 0.00 N ATOM 202 CA PHE A 85 9.719 -6.145 2.716 1.00 0.00 C ATOM 203 C PHE A 85 8.984 -7.301 2.045 1.00 0.00 C ATOM 204 O PHE A 85 9.596 -8.136 1.380 1.00 0.00 O ATOM 205 CB PHE A 85 11.209 -6.471 2.832 1.00 0.00 C ATOM 206 CG PHE A 85 11.852 -6.809 1.517 1.00 0.00 C ATOM 207 CD1 PHE A 85 11.278 -6.399 0.324 1.00 0.00 C ATOM 208 CD2 PHE A 85 13.030 -7.537 1.474 1.00 0.00 C ATOM 209 CE1 PHE A 85 11.868 -6.708 -0.887 1.00 0.00 C ATOM 210 CE2 PHE A 85 13.625 -7.848 0.266 1.00 0.00 C ATOM 211 CZ PHE A 85 13.042 -7.434 -0.916 1.00 0.00 C ATOM 0 H PHE A 85 8.787 -4.923 4.143 1.00 0.00 H new ATOM 0 HA PHE A 85 9.596 -5.254 2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.726 -5.618 3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 85 11.337 -7.310 3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 85 10.359 -5.832 0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 85 13.489 -7.865 2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 85 11.411 -6.382 -1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 85 14.545 -8.414 0.246 1.00 0.00 H new ATOM 0 HZ PHE A 85 13.504 -7.678 -1.861 1.00 0.00 H new ATOM 221 N GLU A 86 7.667 -7.342 2.224 1.00 0.00 N ATOM 222 CA GLU A 86 6.849 -8.396 1.637 1.00 0.00 C ATOM 223 C GLU A 86 5.734 -7.805 0.778 1.00 0.00 C ATOM 224 O GLU A 86 5.117 -8.505 -0.026 1.00 0.00 O ATOM 225 CB GLU A 86 6.249 -9.278 2.734 1.00 0.00 C ATOM 226 CG GLU A 86 7.291 -10.000 3.572 1.00 0.00 C ATOM 227 CD GLU A 86 7.664 -11.354 2.999 1.00 0.00 C ATOM 228 OE1 GLU A 86 6.816 -11.961 2.313 1.00 0.00 O ATOM 229 OE2 GLU A 86 8.804 -11.806 3.237 1.00 0.00 O ATOM 0 H GLU A 86 7.145 -6.658 2.771 1.00 0.00 H new ATOM 0 HA GLU A 86 7.490 -9.006 1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.633 -8.661 3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.589 -10.015 2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.186 -9.381 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.910 -10.131 4.585 1.00 0.00 H new ATOM 236 N LEU A 87 5.481 -6.513 0.955 1.00 0.00 N ATOM 237 CA LEU A 87 4.440 -5.827 0.198 1.00 0.00 C ATOM 238 C LEU A 87 4.381 -6.342 -1.236 1.00 0.00 C ATOM 239 O LEU A 87 3.305 -6.446 -1.827 1.00 0.00 O ATOM 240 CB LEU A 87 4.692 -4.318 0.199 1.00 0.00 C ATOM 241 CG LEU A 87 5.231 -3.729 1.503 1.00 0.00 C ATOM 242 CD1 LEU A 87 4.615 -4.432 2.702 1.00 0.00 C ATOM 243 CD2 LEU A 87 6.749 -3.829 1.547 1.00 0.00 C ATOM 0 H LEU A 87 5.982 -5.920 1.616 1.00 0.00 H new ATOM 0 HA LEU A 87 3.483 -6.030 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.397 -4.087 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.757 -3.813 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 87 4.954 -2.675 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.011 -3.999 3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.532 -4.308 2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.860 -5.494 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.115 -3.405 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.047 -4.876 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.174 -3.278 0.708 1.00 0.00 H new ATOM 255 N LYS A 88 5.544 -6.667 -1.792 1.00 0.00 N ATOM 256 CA LYS A 88 5.626 -7.175 -3.156 1.00 0.00 C ATOM 257 C LYS A 88 4.572 -8.251 -3.399 1.00 0.00 C ATOM 258 O LYS A 88 4.665 -9.356 -2.867 1.00 0.00 O ATOM 259 CB LYS A 88 7.021 -7.741 -3.428 1.00 0.00 C ATOM 260 CG LYS A 88 7.452 -7.623 -4.880 1.00 0.00 C ATOM 261 CD LYS A 88 6.801 -8.690 -5.744 1.00 0.00 C ATOM 262 CE LYS A 88 7.555 -10.009 -5.665 1.00 0.00 C ATOM 263 NZ LYS A 88 7.065 -10.862 -4.548 1.00 0.00 N ATOM 0 H LYS A 88 6.443 -6.587 -1.318 1.00 0.00 H new ATOM 0 HA LYS A 88 5.438 -6.346 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.744 -7.221 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.042 -8.791 -3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.189 -6.636 -5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.536 -7.711 -4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.770 -8.840 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.767 -8.351 -6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.446 -10.546 -6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.619 -9.812 -5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.772 -11.788 -4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.827 -10.994 -3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.253 -10.401 -4.089 1.00 0.00 H new ATOM 277 N GLY A 89 3.571 -7.920 -4.209 1.00 0.00 N ATOM 278 CA GLY A 89 2.515 -8.870 -4.510 1.00 0.00 C ATOM 279 C GLY A 89 1.263 -8.623 -3.692 1.00 0.00 C ATOM 280 O GLY A 89 0.147 -8.789 -4.186 1.00 0.00 O ATOM 0 H GLY A 89 3.472 -7.012 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.270 -8.812 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.875 -9.881 -4.321 1.00 0.00 H new ATOM 284 N LYS A 90 1.446 -8.226 -2.438 1.00 0.00 N ATOM 285 CA LYS A 90 0.322 -7.956 -1.548 1.00 0.00 C ATOM 286 C LYS A 90 -0.537 -6.817 -2.088 1.00 0.00 C ATOM 287 O LYS A 90 -0.074 -6.000 -2.884 1.00 0.00 O ATOM 288 CB LYS A 90 0.827 -7.609 -0.146 1.00 0.00 C ATOM 289 CG LYS A 90 0.981 -8.817 0.761 1.00 0.00 C ATOM 290 CD LYS A 90 2.211 -9.633 0.399 1.00 0.00 C ATOM 291 CE LYS A 90 2.775 -10.359 1.611 1.00 0.00 C ATOM 292 NZ LYS A 90 1.938 -11.529 1.996 1.00 0.00 N ATOM 0 H LYS A 90 2.363 -8.084 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.291 -8.856 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.789 -7.103 -0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.136 -6.904 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.054 -8.488 1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.093 -9.444 0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.954 -10.358 -0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.974 -8.977 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.789 -10.694 1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.840 -9.667 2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.356 -11.997 2.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.977 -11.207 2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.896 -12.202 1.204 1.00 0.00 H new ATOM 306 N VAL A 91 -1.790 -6.767 -1.648 1.00 0.00 N ATOM 307 CA VAL A 91 -2.713 -5.726 -2.084 1.00 0.00 C ATOM 308 C VAL A 91 -3.052 -4.777 -0.940 1.00 0.00 C ATOM 309 O VAL A 91 -3.433 -5.209 0.147 1.00 0.00 O ATOM 310 CB VAL A 91 -4.017 -6.329 -2.640 1.00 0.00 C ATOM 311 CG1 VAL A 91 -5.013 -5.230 -2.976 1.00 0.00 C ATOM 312 CG2 VAL A 91 -3.728 -7.189 -3.861 1.00 0.00 C ATOM 0 H VAL A 91 -2.190 -7.436 -0.989 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.212 -5.170 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.459 -6.965 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.928 -5.675 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.243 -4.660 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.583 -4.566 -3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.660 -7.607 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.263 -6.578 -4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.053 -7.999 -3.584 1.00 0.00 H new ATOM 322 N GLY A 92 -2.911 -3.479 -1.193 1.00 0.00 N ATOM 323 CA GLY A 92 -3.207 -2.489 -0.175 1.00 0.00 C ATOM 324 C GLY A 92 -4.379 -1.604 -0.550 1.00 0.00 C ATOM 325 O GLY A 92 -5.167 -1.945 -1.433 1.00 0.00 O ATOM 0 H GLY A 92 -2.597 -3.096 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.424 -2.994 0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.326 -1.869 -0.009 1.00 0.00 H new ATOM 329 N LYS A 93 -4.496 -0.464 0.122 1.00 0.00 N ATOM 330 CA LYS A 93 -5.581 0.474 -0.144 1.00 0.00 C ATOM 331 C LYS A 93 -5.083 1.914 -0.080 1.00 0.00 C ATOM 332 O LYS A 93 -4.578 2.362 0.949 1.00 0.00 O ATOM 333 CB LYS A 93 -6.717 0.270 0.861 1.00 0.00 C ATOM 334 CG LYS A 93 -7.982 1.035 0.512 1.00 0.00 C ATOM 335 CD LYS A 93 -8.759 1.424 1.758 1.00 0.00 C ATOM 336 CE LYS A 93 -9.762 0.349 2.147 1.00 0.00 C ATOM 337 NZ LYS A 93 -10.779 0.861 3.108 1.00 0.00 N ATOM 0 H LYS A 93 -3.852 -0.167 0.855 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.955 0.282 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.950 -0.793 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.376 0.579 1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.723 1.932 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.612 0.424 -0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.066 1.592 2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.281 2.365 1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -10.262 -0.022 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.235 -0.496 2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.444 0.099 3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.304 1.192 3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -11.299 1.651 2.675 1.00 0.00 H new ATOM 351 N VAL A 94 -5.230 2.636 -1.187 1.00 0.00 N ATOM 352 CA VAL A 94 -4.797 4.027 -1.255 1.00 0.00 C ATOM 353 C VAL A 94 -5.501 4.874 -0.200 1.00 0.00 C ATOM 354 O VAL A 94 -6.726 4.993 -0.200 1.00 0.00 O ATOM 355 CB VAL A 94 -5.067 4.631 -2.646 1.00 0.00 C ATOM 356 CG1 VAL A 94 -4.090 4.072 -3.670 1.00 0.00 C ATOM 357 CG2 VAL A 94 -6.504 4.370 -3.070 1.00 0.00 C ATOM 0 H VAL A 94 -5.645 2.281 -2.048 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.724 4.034 -1.066 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.919 5.709 -2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.296 4.510 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.071 4.315 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.203 2.989 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.677 4.804 -4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.682 3.295 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.184 4.824 -2.349 1.00 0.00 H new ATOM 367 N VAL A 95 -4.717 5.461 0.699 1.00 0.00 N ATOM 368 CA VAL A 95 -5.264 6.299 1.759 1.00 0.00 C ATOM 369 C VAL A 95 -5.161 7.777 1.400 1.00 0.00 C ATOM 370 O VAL A 95 -6.099 8.546 1.612 1.00 0.00 O ATOM 371 CB VAL A 95 -4.541 6.055 3.097 1.00 0.00 C ATOM 372 CG1 VAL A 95 -4.699 4.607 3.533 1.00 0.00 C ATOM 373 CG2 VAL A 95 -3.071 6.428 2.982 1.00 0.00 C ATOM 0 H VAL A 95 -3.701 5.371 0.714 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.314 6.027 1.867 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.996 6.690 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.182 4.454 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.757 4.378 3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.271 3.950 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.575 6.250 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.601 5.820 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.983 7.482 2.718 1.00 0.00 H new ATOM 383 N LYS A 96 -4.015 8.169 0.855 1.00 0.00 N ATOM 384 CA LYS A 96 -3.788 9.555 0.464 1.00 0.00 C ATOM 385 C LYS A 96 -2.898 9.633 -0.773 1.00 0.00 C ATOM 386 O LYS A 96 -2.115 8.721 -1.044 1.00 0.00 O ATOM 387 CB LYS A 96 -3.148 10.333 1.616 1.00 0.00 C ATOM 388 CG LYS A 96 -3.458 11.820 1.592 1.00 0.00 C ATOM 389 CD LYS A 96 -2.345 12.632 2.232 1.00 0.00 C ATOM 390 CE LYS A 96 -1.250 12.964 1.230 1.00 0.00 C ATOM 391 NZ LYS A 96 -0.364 14.056 1.719 1.00 0.00 N ATOM 0 H LYS A 96 -3.228 7.546 0.674 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.753 10.001 0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.492 9.914 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.067 10.195 1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.601 12.146 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.394 12.006 2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.756 13.554 2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.919 12.074 3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.654 12.073 1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.702 13.259 0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.369 14.253 1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.928 14.914 1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.087 13.765 2.610 1.00 0.00 H new ATOM 405 N ILE A 97 -3.022 10.726 -1.517 1.00 0.00 N ATOM 406 CA ILE A 97 -2.226 10.923 -2.723 1.00 0.00 C ATOM 407 C ILE A 97 -1.451 12.234 -2.662 1.00 0.00 C ATOM 408 O ILE A 97 -1.917 13.217 -2.086 1.00 0.00 O ATOM 409 CB ILE A 97 -3.108 10.919 -3.986 1.00 0.00 C ATOM 410 CG1 ILE A 97 -3.809 9.568 -4.141 1.00 0.00 C ATOM 411 CG2 ILE A 97 -2.270 11.232 -5.217 1.00 0.00 C ATOM 412 CD1 ILE A 97 -5.151 9.660 -4.832 1.00 0.00 C ATOM 0 H ILE A 97 -3.666 11.489 -1.307 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.524 10.091 -2.777 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.870 11.692 -3.882 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.164 8.896 -4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.947 9.124 -3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.907 11.226 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.813 12.215 -5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.489 10.479 -5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.590 8.665 -4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.813 10.307 -4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.018 10.075 -5.831 1.00 0.00 H new ATOM 424 N ALA A 98 -0.264 12.242 -3.261 1.00 0.00 N ATOM 425 CA ALA A 98 0.575 13.434 -3.279 1.00 0.00 C ATOM 426 C ALA A 98 1.596 13.370 -4.409 1.00 0.00 C ATOM 427 O ALA A 98 2.287 12.366 -4.577 1.00 0.00 O ATOM 428 CB ALA A 98 1.277 13.604 -1.940 1.00 0.00 C ATOM 0 H ALA A 98 0.138 11.436 -3.740 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.067 14.298 -3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.900 14.498 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.533 13.704 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.901 12.732 -1.743 1.00 0.00 H new ATOM 434 N GLU A 99 1.684 14.448 -5.183 1.00 0.00 N ATOM 435 CA GLU A 99 2.620 14.512 -6.299 1.00 0.00 C ATOM 436 C GLU A 99 3.990 13.977 -5.891 1.00 0.00 C ATOM 437 O GLU A 99 4.580 13.154 -6.591 1.00 0.00 O ATOM 438 CB GLU A 99 2.752 15.951 -6.801 1.00 0.00 C ATOM 439 CG GLU A 99 3.060 16.052 -8.286 1.00 0.00 C ATOM 440 CD GLU A 99 1.843 15.796 -9.153 1.00 0.00 C ATOM 441 OE1 GLU A 99 1.164 14.770 -8.936 1.00 0.00 O ATOM 442 OE2 GLU A 99 1.569 16.622 -10.048 1.00 0.00 O ATOM 0 H GLU A 99 1.119 15.288 -5.057 1.00 0.00 H new ATOM 0 HA GLU A 99 2.230 13.888 -7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.825 16.486 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.541 16.452 -6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.455 17.044 -8.505 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.840 15.335 -8.541 1.00 0.00 H new ATOM 449 N ASP A 100 4.490 14.451 -4.755 1.00 0.00 N ATOM 450 CA ASP A 100 5.789 14.021 -4.253 1.00 0.00 C ATOM 451 C ASP A 100 5.807 12.515 -4.010 1.00 0.00 C ATOM 452 O ASP A 100 6.817 11.849 -4.241 1.00 0.00 O ATOM 453 CB ASP A 100 6.131 14.762 -2.960 1.00 0.00 C ATOM 454 CG ASP A 100 6.424 16.231 -3.195 1.00 0.00 C ATOM 455 OD1 ASP A 100 5.507 16.956 -3.635 1.00 0.00 O ATOM 456 OD2 ASP A 100 7.570 16.655 -2.937 1.00 0.00 O ATOM 0 H ASP A 100 4.015 15.133 -4.164 1.00 0.00 H new ATOM 0 HA ASP A 100 6.539 14.258 -5.008 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.301 14.667 -2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.997 14.292 -2.493 1.00 0.00 H new ATOM 461 N HIS A 101 4.682 11.983 -3.542 1.00 0.00 N ATOM 462 CA HIS A 101 4.568 10.555 -3.268 1.00 0.00 C ATOM 463 C HIS A 101 3.133 10.184 -2.906 1.00 0.00 C ATOM 464 O HIS A 101 2.335 11.043 -2.529 1.00 0.00 O ATOM 465 CB HIS A 101 5.512 10.155 -2.134 1.00 0.00 C ATOM 466 CG HIS A 101 5.171 10.787 -0.820 1.00 0.00 C ATOM 467 ND1 HIS A 101 4.497 10.300 0.248 1.00 0.00 N flip ATOM 468 CD2 HIS A 101 5.531 12.076 -0.489 1.00 0.00 C flip ATOM 469 CE1 HIS A 101 4.464 11.293 1.196 1.00 0.00 C flip ATOM 470 NE2 HIS A 101 5.095 12.354 0.727 1.00 0.00 N flip ATOM 0 H HIS A 101 3.837 12.519 -3.345 1.00 0.00 H new ATOM 0 HA HIS A 101 4.848 10.013 -4.172 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.493 9.071 -2.022 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.531 10.430 -2.407 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.083 12.753 -1.124 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.998 11.218 2.167 1.00 0.00 H new ATOM 0 HE2 HIS A 101 5.224 13.238 1.220 1.00 0.00 H new ATOM 479 N TYR A 102 2.811 8.901 -3.024 1.00 0.00 N ATOM 480 CA TYR A 102 1.471 8.417 -2.712 1.00 0.00 C ATOM 481 C TYR A 102 1.476 7.584 -1.434 1.00 0.00 C ATOM 482 O TYR A 102 2.442 6.877 -1.143 1.00 0.00 O ATOM 483 CB TYR A 102 0.922 7.587 -3.873 1.00 0.00 C ATOM 484 CG TYR A 102 1.006 8.287 -5.211 1.00 0.00 C ATOM 485 CD1 TYR A 102 2.233 8.659 -5.747 1.00 0.00 C ATOM 486 CD2 TYR A 102 -0.142 8.574 -5.939 1.00 0.00 C ATOM 487 CE1 TYR A 102 2.314 9.300 -6.968 1.00 0.00 C ATOM 488 CE2 TYR A 102 -0.070 9.213 -7.162 1.00 0.00 C ATOM 489 CZ TYR A 102 1.160 9.574 -7.672 1.00 0.00 C ATOM 490 OH TYR A 102 1.236 10.210 -8.890 1.00 0.00 O ATOM 0 H TYR A 102 3.459 8.177 -3.333 1.00 0.00 H new ATOM 0 HA TYR A 102 0.827 9.283 -2.557 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.472 6.647 -3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.119 7.336 -3.669 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.139 8.443 -5.200 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.106 8.293 -5.542 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.275 9.585 -7.369 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.972 9.429 -7.716 1.00 0.00 H new ATOM 0 HH TYR A 102 1.358 9.545 -9.599 1.00 0.00 H new ATOM 500 N LEU A 103 0.390 7.671 -0.674 1.00 0.00 N ATOM 501 CA LEU A 103 0.267 6.925 0.574 1.00 0.00 C ATOM 502 C LEU A 103 -0.603 5.687 0.384 1.00 0.00 C ATOM 503 O LEU A 103 -1.782 5.789 0.046 1.00 0.00 O ATOM 504 CB LEU A 103 -0.326 7.816 1.667 1.00 0.00 C ATOM 505 CG LEU A 103 0.628 8.833 2.294 1.00 0.00 C ATOM 506 CD1 LEU A 103 -0.071 9.611 3.398 1.00 0.00 C ATOM 507 CD2 LEU A 103 1.870 8.138 2.833 1.00 0.00 C ATOM 0 H LEU A 103 -0.418 8.251 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 103 1.264 6.604 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.175 8.355 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.714 7.176 2.459 1.00 0.00 H new ATOM 0 HG LEU A 103 0.937 9.537 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.624 10.330 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.929 10.140 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.410 8.921 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.538 8.877 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.580 7.411 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.383 7.627 2.018 1.00 0.00 H new ATOM 519 N VAL A 104 -0.013 4.516 0.606 1.00 0.00 N ATOM 520 CA VAL A 104 -0.735 3.257 0.463 1.00 0.00 C ATOM 521 C VAL A 104 -0.628 2.415 1.729 1.00 0.00 C ATOM 522 O VAL A 104 0.469 2.053 2.154 1.00 0.00 O ATOM 523 CB VAL A 104 -0.206 2.440 -0.731 1.00 0.00 C ATOM 524 CG1 VAL A 104 -1.313 1.582 -1.323 1.00 0.00 C ATOM 525 CG2 VAL A 104 0.388 3.361 -1.786 1.00 0.00 C ATOM 0 H VAL A 104 0.963 4.413 0.885 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.781 3.510 0.286 1.00 0.00 H new ATOM 0 HB VAL A 104 0.583 1.778 -0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.921 1.012 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.687 0.896 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.126 2.222 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.757 2.767 -2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.379 4.050 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.212 3.927 -1.352 1.00 0.00 H new ATOM 535 N GLU A 105 -1.774 2.107 2.327 1.00 0.00 N ATOM 536 CA GLU A 105 -1.808 1.308 3.546 1.00 0.00 C ATOM 537 C GLU A 105 -1.804 -0.183 3.219 1.00 0.00 C ATOM 538 O GLU A 105 -2.807 -0.732 2.762 1.00 0.00 O ATOM 539 CB GLU A 105 -3.046 1.655 4.376 1.00 0.00 C ATOM 540 CG GLU A 105 -3.221 0.778 5.604 1.00 0.00 C ATOM 541 CD GLU A 105 -4.622 0.852 6.179 1.00 0.00 C ATOM 542 OE1 GLU A 105 -5.582 0.544 5.442 1.00 0.00 O ATOM 543 OE2 GLU A 105 -4.759 1.219 7.365 1.00 0.00 O ATOM 0 H GLU A 105 -2.691 2.398 1.988 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.914 1.539 4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -2.982 2.697 4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.932 1.566 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.994 -0.256 5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.503 1.080 6.367 1.00 0.00 H new ATOM 550 N VAL A 106 -0.669 -0.832 3.455 1.00 0.00 N ATOM 551 CA VAL A 106 -0.533 -2.258 3.187 1.00 0.00 C ATOM 552 C VAL A 106 -0.556 -3.065 4.480 1.00 0.00 C ATOM 553 O VAL A 106 0.151 -2.746 5.435 1.00 0.00 O ATOM 554 CB VAL A 106 0.771 -2.565 2.427 1.00 0.00 C ATOM 555 CG1 VAL A 106 0.832 -4.035 2.041 1.00 0.00 C ATOM 556 CG2 VAL A 106 0.892 -1.677 1.197 1.00 0.00 C ATOM 0 H VAL A 106 0.171 -0.392 3.832 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.382 -2.545 2.567 1.00 0.00 H new ATOM 0 HB VAL A 106 1.613 -2.352 3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.760 -4.232 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.795 -4.649 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.016 -4.278 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.819 -1.907 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.045 -1.856 0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.898 -0.631 1.503 1.00 0.00 H new ATOM 566 N GLU A 107 -1.374 -4.113 4.503 1.00 0.00 N ATOM 567 CA GLU A 107 -1.489 -4.966 5.680 1.00 0.00 C ATOM 568 C GLU A 107 -1.559 -4.129 6.954 1.00 0.00 C ATOM 569 O GLU A 107 -0.999 -4.499 7.985 1.00 0.00 O ATOM 570 CB GLU A 107 -0.304 -5.931 5.756 1.00 0.00 C ATOM 571 CG GLU A 107 -0.515 -7.217 4.975 1.00 0.00 C ATOM 572 CD GLU A 107 -1.707 -8.012 5.472 1.00 0.00 C ATOM 573 OE1 GLU A 107 -1.908 -8.075 6.702 1.00 0.00 O ATOM 574 OE2 GLU A 107 -2.440 -8.571 4.629 1.00 0.00 O ATOM 0 H GLU A 107 -1.966 -4.391 3.721 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.411 -5.540 5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.587 -5.429 5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.113 -6.177 6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.656 -6.979 3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.382 -7.832 5.046 1.00 0.00 H new ATOM 581 N GLY A 108 -2.252 -2.997 6.874 1.00 0.00 N ATOM 582 CA GLY A 108 -2.383 -2.124 8.025 1.00 0.00 C ATOM 583 C GLY A 108 -1.107 -1.363 8.324 1.00 0.00 C ATOM 584 O GLY A 108 -0.796 -1.090 9.484 1.00 0.00 O ATOM 0 H GLY A 108 -2.725 -2.669 6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.192 -1.415 7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.662 -2.716 8.897 1.00 0.00 H new ATOM 588 N ASP A 109 -0.366 -1.020 7.276 1.00 0.00 N ATOM 589 CA ASP A 109 0.884 -0.285 7.432 1.00 0.00 C ATOM 590 C ASP A 109 1.102 0.671 6.263 1.00 0.00 C ATOM 591 O ASP A 109 1.227 0.246 5.114 1.00 0.00 O ATOM 592 CB ASP A 109 2.061 -1.256 7.538 1.00 0.00 C ATOM 593 CG ASP A 109 2.317 -1.701 8.965 1.00 0.00 C ATOM 594 OD1 ASP A 109 2.714 -0.851 9.789 1.00 0.00 O ATOM 595 OD2 ASP A 109 2.120 -2.899 9.257 1.00 0.00 O ATOM 0 H ASP A 109 -0.609 -1.239 6.310 1.00 0.00 H new ATOM 0 HA ASP A 109 0.821 0.300 8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.864 -2.130 6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.958 -0.780 7.142 1.00 0.00 H new ATOM 600 N LYS A 110 1.145 1.964 6.564 1.00 0.00 N ATOM 601 CA LYS A 110 1.347 2.982 5.539 1.00 0.00 C ATOM 602 C LYS A 110 2.653 2.745 4.787 1.00 0.00 C ATOM 603 O LYS A 110 3.630 2.264 5.359 1.00 0.00 O ATOM 604 CB LYS A 110 1.355 4.376 6.171 1.00 0.00 C ATOM 605 CG LYS A 110 0.147 4.653 7.049 1.00 0.00 C ATOM 606 CD LYS A 110 -0.174 6.137 7.105 1.00 0.00 C ATOM 607 CE LYS A 110 -0.690 6.646 5.767 1.00 0.00 C ATOM 608 NZ LYS A 110 -1.630 7.788 5.934 1.00 0.00 N ATOM 0 H LYS A 110 1.043 2.332 7.510 1.00 0.00 H new ATOM 0 HA LYS A 110 0.523 2.916 4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 110 2.261 4.490 6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.398 5.124 5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.715 4.108 6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.336 4.283 8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.921 6.320 7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.720 6.693 7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.151 6.956 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.193 5.836 5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.050 8.029 5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.384 7.523 6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.114 8.611 6.305 1.00 0.00 H new ATOM 622 N TRP A 111 2.662 3.089 3.505 1.00 0.00 N ATOM 623 CA TRP A 111 3.849 2.914 2.675 1.00 0.00 C ATOM 624 C TRP A 111 4.019 4.086 1.715 1.00 0.00 C ATOM 625 O TRP A 111 3.158 4.963 1.634 1.00 0.00 O ATOM 626 CB TRP A 111 3.760 1.605 1.890 1.00 0.00 C ATOM 627 CG TRP A 111 3.925 0.386 2.747 1.00 0.00 C ATOM 628 CD1 TRP A 111 2.931 -0.407 3.245 1.00 0.00 C ATOM 629 CD2 TRP A 111 5.158 -0.177 3.207 1.00 0.00 C ATOM 630 NE1 TRP A 111 3.472 -1.428 3.987 1.00 0.00 N ATOM 631 CE2 TRP A 111 4.837 -1.310 3.979 1.00 0.00 C ATOM 632 CE3 TRP A 111 6.503 0.165 3.041 1.00 0.00 C ATOM 633 CZ2 TRP A 111 5.811 -2.101 4.583 1.00 0.00 C ATOM 634 CZ3 TRP A 111 7.469 -0.620 3.641 1.00 0.00 C ATOM 635 CH2 TRP A 111 7.120 -1.743 4.403 1.00 0.00 C ATOM 0 H TRP A 111 1.861 3.491 3.017 1.00 0.00 H new ATOM 0 HA TRP A 111 4.718 2.877 3.332 1.00 0.00 H new ATOM 0 HB2 TRP A 111 2.795 1.557 1.385 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.526 1.602 1.115 1.00 0.00 H new ATOM 0 HD1 TRP A 111 1.875 -0.254 3.080 1.00 0.00 H new ATOM 0 HE1 TRP A 111 2.943 -2.156 4.467 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.782 1.028 2.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 5.543 -2.966 5.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.511 -0.364 3.521 1.00 0.00 H new ATOM 0 HH2 TRP A 111 7.899 -2.338 4.857 1.00 0.00 H new ATOM 646 N ILE A 112 5.132 4.095 0.990 1.00 0.00 N ATOM 647 CA ILE A 112 5.413 5.160 0.035 1.00 0.00 C ATOM 648 C ILE A 112 5.538 4.609 -1.381 1.00 0.00 C ATOM 649 O ILE A 112 6.579 4.073 -1.760 1.00 0.00 O ATOM 650 CB ILE A 112 6.706 5.914 0.397 1.00 0.00 C ATOM 651 CG1 ILE A 112 6.580 6.552 1.782 1.00 0.00 C ATOM 652 CG2 ILE A 112 7.014 6.971 -0.654 1.00 0.00 C ATOM 653 CD1 ILE A 112 5.504 7.612 1.863 1.00 0.00 C ATOM 0 H ILE A 112 5.854 3.377 1.046 1.00 0.00 H new ATOM 0 HA ILE A 112 4.573 5.854 0.079 1.00 0.00 H new ATOM 0 HB ILE A 112 7.531 5.202 0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.367 5.773 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.537 6.995 2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.931 7.496 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.142 6.492 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.190 7.683 -0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.471 8.021 2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.726 8.411 1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 112 4.538 7.169 1.619 1.00 0.00 H new ATOM 665 N ALA A 113 4.470 4.746 -2.160 1.00 0.00 N ATOM 666 CA ALA A 113 4.462 4.266 -3.536 1.00 0.00 C ATOM 667 C ALA A 113 4.204 5.407 -4.515 1.00 0.00 C ATOM 668 O ALA A 113 3.662 6.447 -4.141 1.00 0.00 O ATOM 669 CB ALA A 113 3.415 3.175 -3.708 1.00 0.00 C ATOM 0 H ALA A 113 3.599 5.185 -1.861 1.00 0.00 H new ATOM 0 HA ALA A 113 5.445 3.850 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.420 2.826 -4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.644 2.343 -3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.430 3.574 -3.465 1.00 0.00 H new ATOM 675 N TYR A 114 4.597 5.205 -5.767 1.00 0.00 N ATOM 676 CA TYR A 114 4.412 6.219 -6.799 1.00 0.00 C ATOM 677 C TYR A 114 3.781 5.615 -8.050 1.00 0.00 C ATOM 678 O TYR A 114 4.282 4.634 -8.600 1.00 0.00 O ATOM 679 CB TYR A 114 5.751 6.868 -7.153 1.00 0.00 C ATOM 680 CG TYR A 114 6.821 5.874 -7.545 1.00 0.00 C ATOM 681 CD1 TYR A 114 7.360 5.000 -6.609 1.00 0.00 C ATOM 682 CD2 TYR A 114 7.293 5.810 -8.850 1.00 0.00 C ATOM 683 CE1 TYR A 114 8.338 4.090 -6.963 1.00 0.00 C ATOM 684 CE2 TYR A 114 8.269 4.902 -9.213 1.00 0.00 C ATOM 685 CZ TYR A 114 8.789 4.045 -8.266 1.00 0.00 C ATOM 686 OH TYR A 114 9.763 3.141 -8.623 1.00 0.00 O ATOM 0 H TYR A 114 5.046 4.349 -6.092 1.00 0.00 H new ATOM 0 HA TYR A 114 3.739 6.981 -6.406 1.00 0.00 H new ATOM 0 HB2 TYR A 114 5.600 7.569 -7.974 1.00 0.00 H new ATOM 0 HB3 TYR A 114 6.101 7.448 -6.299 1.00 0.00 H new ATOM 0 HD1 TYR A 114 7.009 5.032 -5.588 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.890 6.482 -9.594 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.747 3.418 -6.223 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.623 4.864 -10.233 1.00 0.00 H new ATOM 0 HH TYR A 114 9.967 3.239 -9.577 1.00 0.00 H new ATOM 696 N SER A 115 2.677 6.208 -8.493 1.00 0.00 N ATOM 697 CA SER A 115 1.975 5.728 -9.677 1.00 0.00 C ATOM 698 C SER A 115 1.914 6.811 -10.750 1.00 0.00 C ATOM 699 O SER A 115 1.563 7.957 -10.471 1.00 0.00 O ATOM 700 CB SER A 115 0.559 5.279 -9.309 1.00 0.00 C ATOM 701 OG SER A 115 -0.172 4.900 -10.462 1.00 0.00 O ATOM 0 H SER A 115 2.250 7.021 -8.050 1.00 0.00 H new ATOM 0 HA SER A 115 2.527 4.877 -10.076 1.00 0.00 H new ATOM 0 HB2 SER A 115 0.609 4.440 -8.615 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.040 6.088 -8.795 1.00 0.00 H new ATOM 0 HG SER A 115 -0.322 3.932 -10.451 1.00 0.00 H new ATOM 707 N ASP A 116 2.259 6.439 -11.978 1.00 0.00 N ATOM 708 CA ASP A 116 2.243 7.377 -13.094 1.00 0.00 C ATOM 709 C ASP A 116 0.817 7.812 -13.418 1.00 0.00 C ATOM 710 O ASP A 116 0.598 8.888 -13.972 1.00 0.00 O ATOM 711 CB ASP A 116 2.889 6.745 -14.328 1.00 0.00 C ATOM 712 CG ASP A 116 4.403 6.739 -14.249 1.00 0.00 C ATOM 713 OD1 ASP A 116 4.973 7.705 -13.701 1.00 0.00 O ATOM 714 OD2 ASP A 116 5.019 5.767 -14.736 1.00 0.00 O ATOM 0 H ASP A 116 2.553 5.494 -12.226 1.00 0.00 H new ATOM 0 HA ASP A 116 2.816 8.258 -12.804 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.530 5.722 -14.439 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.577 7.291 -15.218 1.00 0.00 H new ATOM 719 N GLU A 117 -0.148 6.967 -13.069 1.00 0.00 N ATOM 720 CA GLU A 117 -1.552 7.264 -13.325 1.00 0.00 C ATOM 721 C GLU A 117 -2.247 7.746 -12.055 1.00 0.00 C ATOM 722 O GLU A 117 -2.394 6.994 -11.090 1.00 0.00 O ATOM 723 CB GLU A 117 -2.267 6.026 -13.872 1.00 0.00 C ATOM 724 CG GLU A 117 -2.454 4.926 -12.842 1.00 0.00 C ATOM 725 CD GLU A 117 -2.872 3.608 -13.464 1.00 0.00 C ATOM 726 OE1 GLU A 117 -4.004 3.533 -13.987 1.00 0.00 O ATOM 727 OE2 GLU A 117 -2.069 2.653 -13.429 1.00 0.00 O ATOM 0 H GLU A 117 0.017 6.072 -12.609 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.598 8.060 -14.068 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -3.243 6.321 -14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -1.698 5.631 -14.714 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.523 4.785 -12.293 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.207 5.236 -12.117 1.00 0.00 H new ATOM 734 N LYS A 118 -2.672 9.004 -12.061 1.00 0.00 N ATOM 735 CA LYS A 118 -3.351 9.589 -10.911 1.00 0.00 C ATOM 736 C LYS A 118 -4.261 8.565 -10.238 1.00 0.00 C ATOM 737 O LYS A 118 -5.258 8.131 -10.817 1.00 0.00 O ATOM 738 CB LYS A 118 -4.169 10.809 -11.341 1.00 0.00 C ATOM 739 CG LYS A 118 -3.319 12.012 -11.708 1.00 0.00 C ATOM 740 CD LYS A 118 -4.141 13.290 -11.731 1.00 0.00 C ATOM 741 CE LYS A 118 -4.799 13.506 -13.085 1.00 0.00 C ATOM 742 NZ LYS A 118 -5.266 14.909 -13.257 1.00 0.00 N ATOM 0 H LYS A 118 -2.558 9.639 -12.851 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.593 9.903 -10.194 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -4.788 10.538 -12.196 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -4.846 11.086 -10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.504 12.115 -10.991 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.865 11.853 -12.686 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -4.907 13.245 -10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.500 14.140 -11.497 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.091 13.259 -13.876 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.645 12.826 -13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.709 15.015 -14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.961 15.137 -12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.455 15.556 -13.182 1.00 0.00 H new ATOM 756 N LEU A 119 -3.913 8.185 -9.014 1.00 0.00 N ATOM 757 CA LEU A 119 -4.699 7.214 -8.262 1.00 0.00 C ATOM 758 C LEU A 119 -5.894 7.883 -7.591 1.00 0.00 C ATOM 759 O LEU A 119 -6.145 9.071 -7.790 1.00 0.00 O ATOM 760 CB LEU A 119 -3.827 6.528 -7.209 1.00 0.00 C ATOM 761 CG LEU A 119 -2.552 5.860 -7.724 1.00 0.00 C ATOM 762 CD1 LEU A 119 -1.787 5.213 -6.580 1.00 0.00 C ATOM 763 CD2 LEU A 119 -2.884 4.831 -8.795 1.00 0.00 C ATOM 0 H LEU A 119 -3.091 8.535 -8.521 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.071 6.465 -8.961 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -3.548 7.268 -6.459 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.429 5.774 -6.703 1.00 0.00 H new ATOM 0 HG LEU A 119 -1.918 6.627 -8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -0.883 4.743 -6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.516 5.973 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.413 4.458 -6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.964 4.366 -9.150 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -3.539 4.067 -8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -3.387 5.322 -9.628 1.00 0.00 H new ATOM 775 N SER A 120 -6.628 7.112 -6.795 1.00 0.00 N ATOM 776 CA SER A 120 -7.798 7.629 -6.096 1.00 0.00 C ATOM 777 C SER A 120 -7.682 7.393 -4.593 1.00 0.00 C ATOM 778 O SER A 120 -6.656 6.917 -4.105 1.00 0.00 O ATOM 779 CB SER A 120 -9.071 6.970 -6.631 1.00 0.00 C ATOM 780 OG SER A 120 -8.919 6.594 -7.989 1.00 0.00 O ATOM 0 H SER A 120 -6.433 6.127 -6.618 1.00 0.00 H new ATOM 0 HA SER A 120 -7.851 8.703 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.309 6.091 -6.032 1.00 0.00 H new ATOM 0 HB3 SER A 120 -9.910 7.659 -6.533 1.00 0.00 H new ATOM 0 HG SER A 120 -9.745 6.174 -8.307 1.00 0.00 H new ATOM 786 N LEU A 121 -8.741 7.728 -3.865 1.00 0.00 N ATOM 787 CA LEU A 121 -8.760 7.553 -2.416 1.00 0.00 C ATOM 788 C LEU A 121 -9.690 6.412 -2.018 1.00 0.00 C ATOM 789 O LEU A 121 -10.889 6.450 -2.291 1.00 0.00 O ATOM 790 CB LEU A 121 -9.201 8.848 -1.732 1.00 0.00 C ATOM 791 CG LEU A 121 -8.195 10.000 -1.764 1.00 0.00 C ATOM 792 CD1 LEU A 121 -8.852 11.294 -1.308 1.00 0.00 C ATOM 793 CD2 LEU A 121 -6.987 9.678 -0.897 1.00 0.00 C ATOM 0 H LEU A 121 -9.598 8.122 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 121 -7.750 7.304 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -10.125 9.186 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -9.434 8.624 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 121 -7.854 10.132 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -8.122 12.103 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -9.684 11.533 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -9.221 11.175 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -6.282 10.509 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -7.310 9.519 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.502 8.775 -1.269 1.00 0.00 H new ATOM 805 N GLY A 122 -9.129 5.397 -1.368 1.00 0.00 N ATOM 806 CA GLY A 122 -9.923 4.260 -0.941 1.00 0.00 C ATOM 807 C GLY A 122 -9.919 3.134 -1.956 1.00 0.00 C ATOM 808 O GLY A 122 -10.531 2.089 -1.737 1.00 0.00 O ATOM 0 H GLY A 122 -8.139 5.342 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -9.539 3.889 0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -10.949 4.583 -0.766 1.00 0.00 H new ATOM 812 N ASP A 123 -9.228 3.349 -3.071 1.00 0.00 N ATOM 813 CA ASP A 123 -9.147 2.344 -4.125 1.00 0.00 C ATOM 814 C ASP A 123 -8.230 1.197 -3.713 1.00 0.00 C ATOM 815 O ASP A 123 -7.475 1.309 -2.746 1.00 0.00 O ATOM 816 CB ASP A 123 -8.643 2.976 -5.423 1.00 0.00 C ATOM 817 CG ASP A 123 -9.082 2.204 -6.652 1.00 0.00 C ATOM 818 OD1 ASP A 123 -8.422 1.198 -6.989 1.00 0.00 O ATOM 819 OD2 ASP A 123 -10.087 2.604 -7.276 1.00 0.00 O ATOM 0 H ASP A 123 -8.717 4.209 -3.268 1.00 0.00 H new ATOM 0 HA ASP A 123 -10.147 1.944 -4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.009 4.000 -5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.554 3.028 -5.400 1.00 0.00 H new ATOM 824 N ARG A 124 -8.300 0.095 -4.452 1.00 0.00 N ATOM 825 CA ARG A 124 -7.478 -1.074 -4.162 1.00 0.00 C ATOM 826 C ARG A 124 -6.327 -1.189 -5.157 1.00 0.00 C ATOM 827 O ARG A 124 -6.540 -1.208 -6.369 1.00 0.00 O ATOM 828 CB ARG A 124 -8.328 -2.345 -4.199 1.00 0.00 C ATOM 829 CG ARG A 124 -7.808 -3.452 -3.298 1.00 0.00 C ATOM 830 CD ARG A 124 -8.927 -4.384 -2.859 1.00 0.00 C ATOM 831 NE ARG A 124 -8.422 -5.528 -2.105 1.00 0.00 N ATOM 832 CZ ARG A 124 -9.199 -6.350 -1.407 1.00 0.00 C ATOM 833 NH1 ARG A 124 -10.509 -6.154 -1.368 1.00 0.00 N ATOM 834 NH2 ARG A 124 -8.664 -7.369 -0.746 1.00 0.00 N ATOM 0 H ARG A 124 -8.918 -0.013 -5.256 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.061 -0.954 -3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.348 -2.098 -3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.372 -2.713 -5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.043 -4.023 -3.825 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.332 -3.015 -2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.639 -3.832 -2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.469 -4.738 -3.736 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.418 -5.706 -2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.923 -5.371 -1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.103 -6.786 -0.832 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -7.656 -7.522 -0.773 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -9.261 -7.999 -0.211 1.00 0.00 H new ATOM 848 N VAL A 125 -5.107 -1.266 -4.636 1.00 0.00 N ATOM 849 CA VAL A 125 -3.922 -1.380 -5.478 1.00 0.00 C ATOM 850 C VAL A 125 -3.006 -2.496 -4.990 1.00 0.00 C ATOM 851 O VAL A 125 -3.077 -2.910 -3.833 1.00 0.00 O ATOM 852 CB VAL A 125 -3.129 -0.059 -5.514 1.00 0.00 C ATOM 853 CG1 VAL A 125 -3.920 1.018 -6.240 1.00 0.00 C ATOM 854 CG2 VAL A 125 -2.775 0.387 -4.104 1.00 0.00 C ATOM 0 H VAL A 125 -4.913 -1.252 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 125 -4.271 -1.614 -6.484 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.201 -0.226 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.345 1.944 -6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.118 0.697 -7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -4.865 1.187 -5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -2.215 1.321 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.689 0.538 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -2.166 -0.378 -3.622 1.00 0.00 H new ATOM 864 N MET A 126 -2.145 -2.980 -5.879 1.00 0.00 N ATOM 865 CA MET A 126 -1.213 -4.048 -5.538 1.00 0.00 C ATOM 866 C MET A 126 0.219 -3.651 -5.882 1.00 0.00 C ATOM 867 O MET A 126 0.460 -2.953 -6.868 1.00 0.00 O ATOM 868 CB MET A 126 -1.588 -5.336 -6.273 1.00 0.00 C ATOM 869 CG MET A 126 -0.527 -6.420 -6.181 1.00 0.00 C ATOM 870 SD MET A 126 -0.835 -7.793 -7.309 1.00 0.00 S ATOM 871 CE MET A 126 -2.050 -8.726 -6.381 1.00 0.00 C ATOM 0 H MET A 126 -2.073 -2.649 -6.841 1.00 0.00 H new ATOM 0 HA MET A 126 -1.275 -4.220 -4.464 1.00 0.00 H new ATOM 0 HB2 MET A 126 -2.523 -5.719 -5.864 1.00 0.00 H new ATOM 0 HB3 MET A 126 -1.770 -5.106 -7.323 1.00 0.00 H new ATOM 0 HG2 MET A 126 0.449 -5.987 -6.400 1.00 0.00 H new ATOM 0 HG3 MET A 126 -0.486 -6.797 -5.159 1.00 0.00 H new ATOM 0 HE1 MET A 126 -1.983 -9.780 -6.650 1.00 0.00 H new ATOM 0 HE2 MET A 126 -1.859 -8.611 -5.314 1.00 0.00 H new ATOM 0 HE3 MET A 126 -3.048 -8.355 -6.613 1.00 0.00 H new ATOM 881 N VAL A 127 1.166 -4.099 -5.064 1.00 0.00 N ATOM 882 CA VAL A 127 2.574 -3.791 -5.283 1.00 0.00 C ATOM 883 C VAL A 127 3.107 -4.504 -6.520 1.00 0.00 C ATOM 884 O VAL A 127 3.271 -5.724 -6.525 1.00 0.00 O ATOM 885 CB VAL A 127 3.431 -4.187 -4.066 1.00 0.00 C ATOM 886 CG1 VAL A 127 4.892 -3.837 -4.304 1.00 0.00 C ATOM 887 CG2 VAL A 127 2.911 -3.512 -2.806 1.00 0.00 C ATOM 0 H VAL A 127 0.983 -4.677 -4.243 1.00 0.00 H new ATOM 0 HA VAL A 127 2.643 -2.713 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 127 3.359 -5.266 -3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 127 5.481 -4.124 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 127 5.256 -4.372 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.987 -2.764 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 127 3.528 -3.803 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 127 2.951 -2.430 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.880 -3.819 -2.628 1.00 0.00 H new ATOM 897 N VAL A 128 3.377 -3.734 -7.570 1.00 0.00 N ATOM 898 CA VAL A 128 3.893 -4.292 -8.814 1.00 0.00 C ATOM 899 C VAL A 128 5.381 -4.604 -8.701 1.00 0.00 C ATOM 900 O VAL A 128 5.861 -5.596 -9.250 1.00 0.00 O ATOM 901 CB VAL A 128 3.670 -3.329 -9.996 1.00 0.00 C ATOM 902 CG1 VAL A 128 4.481 -2.056 -9.807 1.00 0.00 C ATOM 903 CG2 VAL A 128 4.026 -4.008 -11.310 1.00 0.00 C ATOM 0 H VAL A 128 3.247 -2.722 -7.583 1.00 0.00 H new ATOM 0 HA VAL A 128 3.344 -5.215 -8.998 1.00 0.00 H new ATOM 0 HB VAL A 128 2.615 -3.058 -10.028 1.00 0.00 H new ATOM 0 HG11 VAL A 128 4.311 -1.388 -10.651 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.173 -1.562 -8.885 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.541 -2.305 -9.749 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.863 -3.314 -12.134 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.073 -4.310 -11.292 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.397 -4.888 -11.447 1.00 0.00 H new ATOM 913 N ASP A 129 6.105 -3.751 -7.985 1.00 0.00 N ATOM 914 CA ASP A 129 7.540 -3.937 -7.797 1.00 0.00 C ATOM 915 C ASP A 129 8.037 -3.144 -6.592 1.00 0.00 C ATOM 916 O ASP A 129 7.580 -2.030 -6.337 1.00 0.00 O ATOM 917 CB ASP A 129 8.300 -3.509 -9.054 1.00 0.00 C ATOM 918 CG ASP A 129 9.582 -4.294 -9.250 1.00 0.00 C ATOM 919 OD1 ASP A 129 9.507 -5.443 -9.732 1.00 0.00 O ATOM 920 OD2 ASP A 129 10.661 -3.758 -8.922 1.00 0.00 O ATOM 0 H ASP A 129 5.723 -2.925 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 129 7.724 -4.996 -7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.659 -3.642 -9.926 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.534 -2.446 -8.989 1.00 0.00 H new ATOM 925 N VAL A 130 8.976 -3.727 -5.853 1.00 0.00 N ATOM 926 CA VAL A 130 9.536 -3.075 -4.675 1.00 0.00 C ATOM 927 C VAL A 130 10.984 -3.494 -4.452 1.00 0.00 C ATOM 928 O VAL A 130 11.330 -4.668 -4.586 1.00 0.00 O ATOM 929 CB VAL A 130 8.718 -3.402 -3.412 1.00 0.00 C ATOM 930 CG1 VAL A 130 8.694 -4.902 -3.164 1.00 0.00 C ATOM 931 CG2 VAL A 130 9.281 -2.663 -2.207 1.00 0.00 C ATOM 0 H VAL A 130 9.365 -4.649 -6.049 1.00 0.00 H new ATOM 0 HA VAL A 130 9.496 -2.001 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 130 7.692 -3.068 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 130 8.111 -5.113 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 130 8.241 -5.405 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 130 9.713 -5.265 -3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 130 8.691 -2.906 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 130 10.316 -2.964 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 130 9.240 -1.589 -2.387 1.00 0.00 H new ATOM 941 N ASP A 131 11.828 -2.526 -4.111 1.00 0.00 N ATOM 942 CA ASP A 131 13.240 -2.793 -3.866 1.00 0.00 C ATOM 943 C ASP A 131 13.656 -2.300 -2.484 1.00 0.00 C ATOM 944 O ASP A 131 14.843 -2.244 -2.164 1.00 0.00 O ATOM 945 CB ASP A 131 14.101 -2.126 -4.940 1.00 0.00 C ATOM 946 CG ASP A 131 14.246 -2.983 -6.182 1.00 0.00 C ATOM 947 OD1 ASP A 131 15.014 -3.967 -6.138 1.00 0.00 O ATOM 948 OD2 ASP A 131 13.590 -2.671 -7.198 1.00 0.00 O ATOM 0 H ASP A 131 11.558 -1.549 -3.998 1.00 0.00 H new ATOM 0 HA ASP A 131 13.392 -3.872 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 131 13.658 -1.168 -5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 131 15.089 -1.915 -4.530 1.00 0.00 H new ATOM 953 N GLY A 132 12.670 -1.940 -1.668 1.00 0.00 N ATOM 954 CA GLY A 132 12.953 -1.455 -0.330 1.00 0.00 C ATOM 955 C GLY A 132 11.739 -0.835 0.331 1.00 0.00 C ATOM 956 O GLY A 132 10.905 -1.540 0.901 1.00 0.00 O ATOM 0 H GLY A 132 11.680 -1.976 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 132 13.315 -2.280 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 132 13.754 -0.717 -0.376 1.00 0.00 H new ATOM 960 N LEU A 133 11.638 0.488 0.258 1.00 0.00 N ATOM 961 CA LEU A 133 10.516 1.204 0.856 1.00 0.00 C ATOM 962 C LEU A 133 9.584 1.752 -0.219 1.00 0.00 C ATOM 963 O LEU A 133 8.614 2.448 0.080 1.00 0.00 O ATOM 964 CB LEU A 133 11.026 2.347 1.736 1.00 0.00 C ATOM 965 CG LEU A 133 10.115 2.761 2.892 1.00 0.00 C ATOM 966 CD1 LEU A 133 10.938 3.299 4.053 1.00 0.00 C ATOM 967 CD2 LEU A 133 9.103 3.798 2.428 1.00 0.00 C ATOM 0 H LEU A 133 12.319 1.086 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 133 9.955 0.501 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 133 11.993 2.059 2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.196 3.218 1.103 1.00 0.00 H new ATOM 0 HG LEU A 133 9.572 1.881 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.273 3.589 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 133 11.623 2.527 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 133 11.508 4.168 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 133 8.463 4.081 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 133 9.628 4.679 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 133 8.492 3.378 1.629 1.00 0.00 H new ATOM 979 N LYS A 134 9.884 1.431 -1.474 1.00 0.00 N ATOM 980 CA LYS A 134 9.072 1.888 -2.595 1.00 0.00 C ATOM 981 C LYS A 134 8.429 0.708 -3.318 1.00 0.00 C ATOM 982 O LYS A 134 9.074 0.033 -4.121 1.00 0.00 O ATOM 983 CB LYS A 134 9.927 2.695 -3.575 1.00 0.00 C ATOM 984 CG LYS A 134 10.721 3.809 -2.915 1.00 0.00 C ATOM 985 CD LYS A 134 10.899 4.995 -3.848 1.00 0.00 C ATOM 986 CE LYS A 134 9.752 5.986 -3.714 1.00 0.00 C ATOM 987 NZ LYS A 134 10.032 7.022 -2.682 1.00 0.00 N ATOM 0 H LYS A 134 10.684 0.856 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 134 8.281 2.526 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 134 10.616 2.021 -4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.280 3.125 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 134 10.211 4.132 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.698 3.432 -2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 134 11.842 5.496 -3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 134 10.959 4.643 -4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 134 9.575 6.469 -4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 134 8.839 5.451 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 9.227 7.678 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 10.176 6.563 -1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 10.889 7.550 -2.943 1.00 0.00 H new ATOM 1001 N LEU A 135 7.155 0.467 -3.028 1.00 0.00 N ATOM 1002 CA LEU A 135 6.424 -0.631 -3.652 1.00 0.00 C ATOM 1003 C LEU A 135 5.421 -0.106 -4.675 1.00 0.00 C ATOM 1004 O LEU A 135 4.226 -0.007 -4.395 1.00 0.00 O ATOM 1005 CB LEU A 135 5.699 -1.457 -2.588 1.00 0.00 C ATOM 1006 CG LEU A 135 5.354 -0.725 -1.290 1.00 0.00 C ATOM 1007 CD1 LEU A 135 6.620 -0.367 -0.527 1.00 0.00 C ATOM 1008 CD2 LEU A 135 4.535 0.523 -1.584 1.00 0.00 C ATOM 0 H LEU A 135 6.607 1.016 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 135 7.143 -1.266 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.776 -1.841 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.318 -2.319 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 135 4.755 -1.390 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 135 6.355 0.153 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 135 7.168 -1.277 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 135 7.245 0.280 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.298 1.031 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.109 1.192 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 135 3.610 0.241 -2.088 1.00 0.00 H new ATOM 1020 N LYS A 136 5.915 0.228 -5.862 1.00 0.00 N ATOM 1021 CA LYS A 136 5.063 0.740 -6.929 1.00 0.00 C ATOM 1022 C LYS A 136 3.678 0.104 -6.872 1.00 0.00 C ATOM 1023 O LYS A 136 3.546 -1.120 -6.863 1.00 0.00 O ATOM 1024 CB LYS A 136 5.703 0.472 -8.293 1.00 0.00 C ATOM 1025 CG LYS A 136 4.903 1.027 -9.459 1.00 0.00 C ATOM 1026 CD LYS A 136 5.773 1.221 -10.690 1.00 0.00 C ATOM 1027 CE LYS A 136 5.099 2.125 -11.711 1.00 0.00 C ATOM 1028 NZ LYS A 136 3.841 1.526 -12.238 1.00 0.00 N ATOM 0 H LYS A 136 6.902 0.153 -6.110 1.00 0.00 H new ATOM 0 HA LYS A 136 4.955 1.816 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.702 0.908 -8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.822 -0.603 -8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 136 4.083 0.348 -9.695 1.00 0.00 H new ATOM 0 HG3 LYS A 136 4.456 1.980 -9.174 1.00 0.00 H new ATOM 0 HD2 LYS A 136 6.730 1.652 -10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 136 5.985 0.253 -11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 136 4.878 3.089 -11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 136 5.785 2.315 -12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 3.421 2.165 -12.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 4.052 0.610 -12.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 3.170 1.384 -11.456 1.00 0.00 H new ATOM 1042 N VAL A 137 2.647 0.942 -6.834 1.00 0.00 N ATOM 1043 CA VAL A 137 1.272 0.462 -6.780 1.00 0.00 C ATOM 1044 C VAL A 137 0.567 0.662 -8.117 1.00 0.00 C ATOM 1045 O VAL A 137 0.764 1.674 -8.790 1.00 0.00 O ATOM 1046 CB VAL A 137 0.470 1.178 -5.677 1.00 0.00 C ATOM 1047 CG1 VAL A 137 1.066 0.886 -4.308 1.00 0.00 C ATOM 1048 CG2 VAL A 137 0.424 2.676 -5.939 1.00 0.00 C ATOM 0 H VAL A 137 2.739 1.958 -6.840 1.00 0.00 H new ATOM 0 HA VAL A 137 1.318 -0.603 -6.552 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.552 0.798 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.486 1.400 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.042 -0.188 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.098 1.236 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.147 3.166 -5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.439 3.074 -5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.053 2.863 -6.901 1.00 0.00 H new ATOM 1058 N LYS A 138 -0.257 -0.309 -8.497 1.00 0.00 N ATOM 1059 CA LYS A 138 -0.994 -0.240 -9.753 1.00 0.00 C ATOM 1060 C LYS A 138 -2.480 -0.495 -9.526 1.00 0.00 C ATOM 1061 O LYS A 138 -2.858 -1.342 -8.717 1.00 0.00 O ATOM 1062 CB LYS A 138 -0.437 -1.258 -10.751 1.00 0.00 C ATOM 1063 CG LYS A 138 0.702 -0.718 -11.598 1.00 0.00 C ATOM 1064 CD LYS A 138 0.739 -1.377 -12.968 1.00 0.00 C ATOM 1065 CE LYS A 138 1.418 -2.736 -12.914 1.00 0.00 C ATOM 1066 NZ LYS A 138 0.501 -3.796 -12.412 1.00 0.00 N ATOM 0 H LYS A 138 -0.431 -1.154 -7.952 1.00 0.00 H new ATOM 0 HA LYS A 138 -0.874 0.763 -10.162 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -0.089 -2.136 -10.206 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -1.242 -1.589 -11.407 1.00 0.00 H new ATOM 0 HG2 LYS A 138 0.591 0.360 -11.715 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.649 -0.887 -11.086 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -0.277 -1.491 -13.345 1.00 0.00 H new ATOM 0 HD3 LYS A 138 1.269 -0.732 -13.669 1.00 0.00 H new ATOM 0 HE2 LYS A 138 1.773 -3.004 -13.909 1.00 0.00 H new ATOM 0 HE3 LYS A 138 2.294 -2.678 -12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 0.782 -4.715 -12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 0.554 -3.838 -11.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -0.474 -3.577 -12.700 1.00 0.00 H new ATOM 1080 N ARG A 139 -3.319 0.242 -10.247 1.00 0.00 N ATOM 1081 CA ARG A 139 -4.764 0.095 -10.124 1.00 0.00 C ATOM 1082 C ARG A 139 -5.209 -1.296 -10.566 1.00 0.00 C ATOM 1083 O ARG A 139 -5.013 -1.684 -11.718 1.00 0.00 O ATOM 1084 CB ARG A 139 -5.479 1.159 -10.959 1.00 0.00 C ATOM 1085 CG ARG A 139 -6.979 0.938 -11.072 1.00 0.00 C ATOM 1086 CD ARG A 139 -7.727 1.589 -9.920 1.00 0.00 C ATOM 1087 NE ARG A 139 -9.113 1.891 -10.268 1.00 0.00 N ATOM 1088 CZ ARG A 139 -9.462 2.804 -11.167 1.00 0.00 C ATOM 1089 NH1 ARG A 139 -8.532 3.500 -11.806 1.00 0.00 N ATOM 1090 NH2 ARG A 139 -10.745 3.022 -11.430 1.00 0.00 N ATOM 0 H ARG A 139 -3.023 0.947 -10.922 1.00 0.00 H new ATOM 0 HA ARG A 139 -5.029 0.226 -9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -5.297 2.139 -10.517 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -5.046 1.175 -11.959 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -7.338 1.346 -12.017 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -7.190 -0.131 -11.086 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -7.707 0.927 -9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -7.218 2.508 -9.630 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.853 1.372 -9.795 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -7.545 3.335 -11.608 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -8.803 4.201 -12.496 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -11.464 2.488 -10.941 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -11.012 3.723 -12.121 1.00 0.00 H new ATOM 1104 N ILE A 140 -5.807 -2.041 -9.643 1.00 0.00 N ATOM 1105 CA ILE A 140 -6.279 -3.389 -9.937 1.00 0.00 C ATOM 1106 C ILE A 140 -7.783 -3.505 -9.716 1.00 0.00 C ATOM 1107 O ILE A 140 -8.335 -2.987 -8.745 1.00 0.00 O ATOM 1108 CB ILE A 140 -5.561 -4.439 -9.069 1.00 0.00 C ATOM 1109 CG1 ILE A 140 -5.686 -4.080 -7.587 1.00 0.00 C ATOM 1110 CG2 ILE A 140 -4.098 -4.548 -9.472 1.00 0.00 C ATOM 1111 CD1 ILE A 140 -5.407 -5.241 -6.659 1.00 0.00 C ATOM 0 H ILE A 140 -5.976 -1.734 -8.685 1.00 0.00 H new ATOM 0 HA ILE A 140 -6.053 -3.581 -10.986 1.00 0.00 H new ATOM 0 HB ILE A 140 -6.035 -5.407 -9.230 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -4.995 -3.268 -7.358 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -6.692 -3.706 -7.396 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -3.604 -5.294 -8.850 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -4.030 -4.846 -10.518 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -3.611 -3.582 -9.337 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -5.514 -4.914 -5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.114 -6.046 -6.860 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -4.391 -5.601 -6.822 1.00 0.00 H new