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 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -142:sc= -0.147 (180deg=-0.727) 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 : no HD1:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 102 TYR OH : rot 109:sc= 1.25 USER MOD Single : A 110 LYS NZ :NH3+ 123:sc= -0.145 (180deg=-0.768) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -98:sc= 0.115 USER MOD Single : A 118 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.299) USER MOD Single : A 120 SER OG : rot 81:sc= 0.605 USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ -151:sc= -0.705 (180deg=-1.76!) USER MOD ----------------------------------------------------------------- ATOM 187 N THR A 84 8.985 -6.317 6.940 1.00 0.00 N ATOM 188 CA THR A 84 8.435 -7.615 6.569 1.00 0.00 C ATOM 189 C THR A 84 8.894 -8.029 5.175 1.00 0.00 C ATOM 190 O THR A 84 9.068 -9.215 4.895 1.00 0.00 O ATOM 191 CB THR A 84 6.895 -7.604 6.608 1.00 0.00 C ATOM 192 OG1 THR A 84 6.393 -8.942 6.516 1.00 0.00 O ATOM 193 CG2 THR A 84 6.331 -6.766 5.470 1.00 0.00 C ATOM 0 HA THR A 84 8.805 -8.335 7.299 1.00 0.00 H new ATOM 0 HB THR A 84 6.581 -7.163 7.554 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.413 -8.926 6.543 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.242 -6.773 5.518 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.692 -5.741 5.559 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.655 -7.183 4.516 1.00 0.00 H new ATOM 201 N PHE A 85 9.090 -7.044 4.305 1.00 0.00 N ATOM 202 CA PHE A 85 9.529 -7.306 2.940 1.00 0.00 C ATOM 203 C PHE A 85 8.662 -8.379 2.286 1.00 0.00 C ATOM 204 O PHE A 85 9.173 -9.307 1.660 1.00 0.00 O ATOM 205 CB PHE A 85 10.996 -7.743 2.928 1.00 0.00 C ATOM 206 CG PHE A 85 11.497 -8.122 1.564 1.00 0.00 C ATOM 207 CD1 PHE A 85 10.919 -7.587 0.425 1.00 0.00 C ATOM 208 CD2 PHE A 85 12.548 -9.015 1.421 1.00 0.00 C ATOM 209 CE1 PHE A 85 11.378 -7.934 -0.832 1.00 0.00 C ATOM 210 CE2 PHE A 85 13.012 -9.365 0.168 1.00 0.00 C ATOM 211 CZ PHE A 85 12.425 -8.825 -0.961 1.00 0.00 C ATOM 0 H PHE A 85 8.952 -6.057 4.521 1.00 0.00 H new ATOM 0 HA PHE A 85 9.427 -6.383 2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.611 -6.933 3.320 1.00 0.00 H new ATOM 0 HB3 PHE A 85 11.120 -8.592 3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 85 10.099 -6.890 0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 85 13.009 -9.442 2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.918 -7.509 -1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 85 13.833 -10.060 0.070 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.784 -9.099 -1.942 1.00 0.00 H new ATOM 221 N GLU A 86 7.349 -8.243 2.438 1.00 0.00 N ATOM 222 CA GLU A 86 6.411 -9.202 1.864 1.00 0.00 C ATOM 223 C GLU A 86 5.389 -8.498 0.977 1.00 0.00 C ATOM 224 O GLU A 86 4.786 -9.113 0.096 1.00 0.00 O ATOM 225 CB GLU A 86 5.694 -9.974 2.973 1.00 0.00 C ATOM 226 CG GLU A 86 6.576 -10.997 3.670 1.00 0.00 C ATOM 227 CD GLU A 86 5.838 -11.761 4.753 1.00 0.00 C ATOM 228 OE1 GLU A 86 4.679 -12.159 4.514 1.00 0.00 O ATOM 229 OE2 GLU A 86 6.422 -11.961 5.839 1.00 0.00 O ATOM 0 H GLU A 86 6.910 -7.479 2.953 1.00 0.00 H new ATOM 0 HA GLU A 86 6.977 -9.903 1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.318 -9.267 3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.828 -10.482 2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.962 -11.701 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.436 -10.491 4.109 1.00 0.00 H new ATOM 236 N LEU A 87 5.198 -7.205 1.215 1.00 0.00 N ATOM 237 CA LEU A 87 4.248 -6.416 0.439 1.00 0.00 C ATOM 238 C LEU A 87 4.190 -6.900 -1.006 1.00 0.00 C ATOM 239 O LEU A 87 3.122 -6.943 -1.616 1.00 0.00 O ATOM 240 CB LEU A 87 4.633 -4.936 0.477 1.00 0.00 C ATOM 241 CG LEU A 87 5.227 -4.431 1.793 1.00 0.00 C ATOM 242 CD1 LEU A 87 4.520 -5.070 2.978 1.00 0.00 C ATOM 243 CD2 LEU A 87 6.721 -4.711 1.846 1.00 0.00 C ATOM 0 H LEU A 87 5.689 -6.681 1.939 1.00 0.00 H new ATOM 0 HA LEU A 87 3.261 -6.541 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.353 -4.748 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.746 -4.344 0.251 1.00 0.00 H new ATOM 0 HG LEU A 87 5.078 -3.353 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.956 -4.699 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.460 -4.817 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.636 -6.153 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.127 -4.345 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.893 -5.785 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.216 -4.204 1.017 1.00 0.00 H new ATOM 255 N LYS A 88 5.347 -7.267 -1.548 1.00 0.00 N ATOM 256 CA LYS A 88 5.429 -7.752 -2.921 1.00 0.00 C ATOM 257 C LYS A 88 4.293 -8.724 -3.224 1.00 0.00 C ATOM 258 O LYS A 88 4.296 -9.862 -2.758 1.00 0.00 O ATOM 259 CB LYS A 88 6.777 -8.436 -3.162 1.00 0.00 C ATOM 260 CG LYS A 88 6.971 -8.912 -4.591 1.00 0.00 C ATOM 261 CD LYS A 88 7.108 -7.745 -5.554 1.00 0.00 C ATOM 262 CE LYS A 88 6.560 -8.090 -6.930 1.00 0.00 C ATOM 263 NZ LYS A 88 7.516 -8.917 -7.716 1.00 0.00 N ATOM 0 H LYS A 88 6.241 -7.238 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 88 5.338 -6.895 -3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.578 -7.742 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.868 -9.288 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.861 -9.539 -4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.125 -9.532 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.577 -6.880 -5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.158 -7.464 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.618 -8.628 -6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.341 -7.171 -7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.106 -9.131 -8.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.406 -8.394 -7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.705 -9.805 -7.209 1.00 0.00 H new ATOM 277 N GLY A 89 3.322 -8.266 -4.008 1.00 0.00 N ATOM 278 CA GLY A 89 2.194 -9.108 -4.361 1.00 0.00 C ATOM 279 C GLY A 89 0.941 -8.755 -3.583 1.00 0.00 C ATOM 280 O GLY A 89 -0.168 -8.825 -4.113 1.00 0.00 O ATOM 0 H GLY A 89 3.296 -7.327 -4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.994 -9.013 -5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.451 -10.151 -4.176 1.00 0.00 H new ATOM 284 N LYS A 90 1.117 -8.375 -2.322 1.00 0.00 N ATOM 285 CA LYS A 90 -0.007 -8.010 -1.468 1.00 0.00 C ATOM 286 C LYS A 90 -0.720 -6.774 -2.007 1.00 0.00 C ATOM 287 O LYS A 90 -0.110 -5.931 -2.665 1.00 0.00 O ATOM 288 CB LYS A 90 0.474 -7.753 -0.039 1.00 0.00 C ATOM 289 CG LYS A 90 0.496 -8.999 0.830 1.00 0.00 C ATOM 290 CD LYS A 90 1.831 -9.719 0.738 1.00 0.00 C ATOM 291 CE LYS A 90 2.119 -10.521 1.998 1.00 0.00 C ATOM 292 NZ LYS A 90 2.220 -9.647 3.200 1.00 0.00 N ATOM 0 H LYS A 90 2.028 -8.312 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.712 -8.841 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.477 -7.327 -0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.173 -7.008 0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.300 -8.724 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.304 -9.673 0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.828 -10.384 -0.125 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.627 -8.992 0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.329 -11.257 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.050 -11.074 1.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.973 -10.001 3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.443 -8.675 2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.314 -9.654 3.711 1.00 0.00 H new ATOM 306 N VAL A 91 -2.014 -6.671 -1.722 1.00 0.00 N ATOM 307 CA VAL A 91 -2.809 -5.536 -2.175 1.00 0.00 C ATOM 308 C VAL A 91 -3.174 -4.621 -1.011 1.00 0.00 C ATOM 309 O VAL A 91 -3.522 -5.086 0.073 1.00 0.00 O ATOM 310 CB VAL A 91 -4.101 -5.999 -2.874 1.00 0.00 C ATOM 311 CG1 VAL A 91 -4.964 -6.809 -1.919 1.00 0.00 C ATOM 312 CG2 VAL A 91 -4.870 -4.804 -3.418 1.00 0.00 C ATOM 0 H VAL A 91 -2.534 -7.360 -1.179 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.196 -4.985 -2.888 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.830 -6.640 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.872 -7.127 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.410 -7.686 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.229 -6.195 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.780 -5.150 -3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.131 -4.136 -2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.250 -4.270 -4.138 1.00 0.00 H new ATOM 322 N GLY A 92 -3.092 -3.314 -1.245 1.00 0.00 N ATOM 323 CA GLY A 92 -3.417 -2.354 -0.207 1.00 0.00 C ATOM 324 C GLY A 92 -4.383 -1.288 -0.685 1.00 0.00 C ATOM 325 O GLY A 92 -4.786 -1.281 -1.849 1.00 0.00 O ATOM 0 H GLY A 92 -2.807 -2.904 -2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.851 -2.878 0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.501 -1.879 0.144 1.00 0.00 H new ATOM 329 N LYS A 93 -4.758 -0.385 0.214 1.00 0.00 N ATOM 330 CA LYS A 93 -5.684 0.691 -0.121 1.00 0.00 C ATOM 331 C LYS A 93 -4.992 2.048 -0.044 1.00 0.00 C ATOM 332 O LYS A 93 -4.299 2.348 0.928 1.00 0.00 O ATOM 333 CB LYS A 93 -6.889 0.667 0.823 1.00 0.00 C ATOM 334 CG LYS A 93 -8.005 1.609 0.407 1.00 0.00 C ATOM 335 CD LYS A 93 -8.910 1.952 1.579 1.00 0.00 C ATOM 336 CE LYS A 93 -10.047 0.952 1.717 1.00 0.00 C ATOM 337 NZ LYS A 93 -10.912 1.254 2.891 1.00 0.00 N ATOM 0 H LYS A 93 -4.435 -0.377 1.181 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.028 0.536 -1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.281 -0.349 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.558 0.930 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.577 2.524 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.594 1.149 -0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.325 1.969 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.319 2.953 1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -10.651 0.961 0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.637 -0.053 1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.675 0.550 2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.342 1.221 3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -11.324 2.203 2.784 1.00 0.00 H new ATOM 351 N VAL A 94 -5.185 2.865 -1.074 1.00 0.00 N ATOM 352 CA VAL A 94 -4.582 4.192 -1.122 1.00 0.00 C ATOM 353 C VAL A 94 -5.221 5.123 -0.099 1.00 0.00 C ATOM 354 O VAL A 94 -6.239 5.759 -0.373 1.00 0.00 O ATOM 355 CB VAL A 94 -4.713 4.818 -2.523 1.00 0.00 C ATOM 356 CG1 VAL A 94 -3.680 4.227 -3.471 1.00 0.00 C ATOM 357 CG2 VAL A 94 -6.120 4.620 -3.065 1.00 0.00 C ATOM 0 H VAL A 94 -5.755 2.631 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.525 4.068 -0.886 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.526 5.889 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.788 4.681 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.679 4.425 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.832 3.151 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.195 5.068 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.337 3.554 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.838 5.095 -2.396 1.00 0.00 H new ATOM 367 N VAL A 95 -4.617 5.200 1.083 1.00 0.00 N ATOM 368 CA VAL A 95 -5.126 6.056 2.148 1.00 0.00 C ATOM 369 C VAL A 95 -5.042 7.527 1.758 1.00 0.00 C ATOM 370 O VAL A 95 -5.929 8.318 2.079 1.00 0.00 O ATOM 371 CB VAL A 95 -4.352 5.839 3.461 1.00 0.00 C ATOM 372 CG1 VAL A 95 -4.485 4.397 3.928 1.00 0.00 C ATOM 373 CG2 VAL A 95 -2.889 6.218 3.285 1.00 0.00 C ATOM 0 H VAL A 95 -3.774 4.680 1.327 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.170 5.783 2.302 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.782 6.485 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.931 4.263 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.537 4.164 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.082 3.729 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.357 6.059 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.444 5.600 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.817 7.268 3.001 1.00 0.00 H new ATOM 383 N LYS A 96 -3.969 7.889 1.062 1.00 0.00 N ATOM 384 CA LYS A 96 -3.768 9.265 0.626 1.00 0.00 C ATOM 385 C LYS A 96 -2.903 9.317 -0.629 1.00 0.00 C ATOM 386 O LYS A 96 -2.061 8.446 -0.851 1.00 0.00 O ATOM 387 CB LYS A 96 -3.117 10.086 1.742 1.00 0.00 C ATOM 388 CG LYS A 96 -3.327 11.583 1.598 1.00 0.00 C ATOM 389 CD LYS A 96 -2.684 12.349 2.742 1.00 0.00 C ATOM 390 CE LYS A 96 -2.321 13.767 2.329 1.00 0.00 C ATOM 391 NZ LYS A 96 -0.999 13.826 1.647 1.00 0.00 N ATOM 0 H LYS A 96 -3.225 7.247 0.788 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.743 9.692 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.519 9.762 2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.047 9.878 1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.906 11.921 0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.395 11.800 1.568 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.368 12.380 3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.788 11.825 3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.090 14.159 1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.304 14.408 3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.789 14.809 1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.261 13.476 2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.023 13.234 0.792 1.00 0.00 H new ATOM 405 N ILE A 97 -3.114 10.344 -1.446 1.00 0.00 N ATOM 406 CA ILE A 97 -2.351 10.510 -2.677 1.00 0.00 C ATOM 407 C ILE A 97 -1.652 11.864 -2.712 1.00 0.00 C ATOM 408 O ILE A 97 -2.218 12.877 -2.302 1.00 0.00 O ATOM 409 CB ILE A 97 -3.251 10.377 -3.919 1.00 0.00 C ATOM 410 CG1 ILE A 97 -3.824 8.961 -4.012 1.00 0.00 C ATOM 411 CG2 ILE A 97 -2.470 10.721 -5.179 1.00 0.00 C ATOM 412 CD1 ILE A 97 -5.174 8.899 -4.691 1.00 0.00 C ATOM 0 H ILE A 97 -3.807 11.073 -1.278 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.603 9.717 -2.694 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.080 11.079 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.123 8.329 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.912 8.547 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.120 10.622 -6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.106 11.746 -5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.624 10.041 -5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.519 7.865 -4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.890 9.504 -4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.088 9.283 -5.708 1.00 0.00 H new ATOM 424 N ALA A 98 -0.418 11.875 -3.207 1.00 0.00 N ATOM 425 CA ALA A 98 0.357 13.105 -3.299 1.00 0.00 C ATOM 426 C ALA A 98 1.350 13.043 -4.455 1.00 0.00 C ATOM 427 O ALA A 98 2.078 12.063 -4.607 1.00 0.00 O ATOM 428 CB ALA A 98 1.085 13.371 -1.990 1.00 0.00 C ATOM 0 H ALA A 98 0.066 11.045 -3.550 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.334 13.926 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.660 14.293 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.359 13.468 -1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.759 12.542 -1.774 1.00 0.00 H new ATOM 434 N GLU A 99 1.373 14.095 -5.267 1.00 0.00 N ATOM 435 CA GLU A 99 2.276 14.158 -6.410 1.00 0.00 C ATOM 436 C GLU A 99 3.675 13.686 -6.025 1.00 0.00 C ATOM 437 O GLU A 99 4.260 12.832 -6.691 1.00 0.00 O ATOM 438 CB GLU A 99 2.340 15.584 -6.961 1.00 0.00 C ATOM 439 CG GLU A 99 2.617 15.648 -8.454 1.00 0.00 C ATOM 440 CD GLU A 99 2.926 17.054 -8.929 1.00 0.00 C ATOM 441 OE1 GLU A 99 1.975 17.845 -9.102 1.00 0.00 O ATOM 442 OE2 GLU A 99 4.119 17.364 -9.129 1.00 0.00 O ATOM 0 H GLU A 99 0.777 14.915 -5.155 1.00 0.00 H new ATOM 0 HA GLU A 99 1.888 13.495 -7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.396 16.087 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.118 16.134 -6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.457 14.995 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.752 15.267 -8.997 1.00 0.00 H new ATOM 449 N ASP A 100 4.206 14.250 -4.945 1.00 0.00 N ATOM 450 CA ASP A 100 5.536 13.888 -4.469 1.00 0.00 C ATOM 451 C ASP A 100 5.613 12.397 -4.155 1.00 0.00 C ATOM 452 O ASP A 100 6.631 11.751 -4.408 1.00 0.00 O ATOM 453 CB ASP A 100 5.895 14.703 -3.226 1.00 0.00 C ATOM 454 CG ASP A 100 6.205 16.151 -3.552 1.00 0.00 C ATOM 455 OD1 ASP A 100 5.449 16.756 -4.341 1.00 0.00 O ATOM 456 OD2 ASP A 100 7.202 16.679 -3.019 1.00 0.00 O ATOM 0 H ASP A 100 3.736 14.959 -4.383 1.00 0.00 H new ATOM 0 HA ASP A 100 6.252 14.112 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.068 14.662 -2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.757 14.251 -2.736 1.00 0.00 H new ATOM 461 N HIS A 101 4.533 11.857 -3.601 1.00 0.00 N ATOM 462 CA HIS A 101 4.478 10.442 -3.252 1.00 0.00 C ATOM 463 C HIS A 101 3.056 10.027 -2.886 1.00 0.00 C ATOM 464 O HIS A 101 2.233 10.861 -2.508 1.00 0.00 O ATOM 465 CB HIS A 101 5.424 10.146 -2.087 1.00 0.00 C ATOM 466 CG HIS A 101 4.908 10.617 -0.762 1.00 0.00 C ATOM 467 ND1 HIS A 101 5.091 11.902 -0.298 1.00 0.00 N ATOM 468 CD2 HIS A 101 4.210 9.967 0.198 1.00 0.00 C ATOM 469 CE1 HIS A 101 4.529 12.022 0.892 1.00 0.00 C ATOM 470 NE2 HIS A 101 3.988 10.862 1.216 1.00 0.00 N ATOM 0 H HIS A 101 3.683 12.378 -3.384 1.00 0.00 H new ATOM 0 HA HIS A 101 4.793 9.866 -4.122 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.601 9.072 -2.038 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.386 10.619 -2.282 1.00 0.00 H new ATOM 0 HD2 HIS A 101 3.888 8.937 0.169 1.00 0.00 H new ATOM 0 HE1 HIS A 101 4.515 12.917 1.497 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.487 10.663 2.082 1.00 0.00 H new ATOM 479 N TYR A 102 2.775 8.734 -3.003 1.00 0.00 N ATOM 480 CA TYR A 102 1.451 8.208 -2.688 1.00 0.00 C ATOM 481 C TYR A 102 1.485 7.377 -1.409 1.00 0.00 C ATOM 482 O TYR A 102 2.440 6.640 -1.159 1.00 0.00 O ATOM 483 CB TYR A 102 0.928 7.360 -3.848 1.00 0.00 C ATOM 484 CG TYR A 102 0.931 8.082 -5.176 1.00 0.00 C ATOM 485 CD1 TYR A 102 2.116 8.546 -5.734 1.00 0.00 C ATOM 486 CD2 TYR A 102 -0.250 8.298 -5.875 1.00 0.00 C ATOM 487 CE1 TYR A 102 2.124 9.207 -6.947 1.00 0.00 C ATOM 488 CE2 TYR A 102 -0.252 8.957 -7.089 1.00 0.00 C ATOM 489 CZ TYR A 102 0.938 9.409 -7.621 1.00 0.00 C ATOM 490 OH TYR A 102 0.942 10.066 -8.830 1.00 0.00 O ATOM 0 H TYR A 102 3.445 8.031 -3.313 1.00 0.00 H new ATOM 0 HA TYR A 102 0.779 9.052 -2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.537 6.460 -3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.088 7.037 -3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.047 8.387 -5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.183 7.944 -5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.054 9.564 -7.365 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.180 9.117 -7.619 1.00 0.00 H new ATOM 0 HH TYR A 102 0.750 9.429 -9.549 1.00 0.00 H new ATOM 500 N LEU A 103 0.436 7.500 -0.604 1.00 0.00 N ATOM 501 CA LEU A 103 0.344 6.760 0.650 1.00 0.00 C ATOM 502 C LEU A 103 -0.536 5.524 0.489 1.00 0.00 C ATOM 503 O LEU A 103 -1.760 5.628 0.401 1.00 0.00 O ATOM 504 CB LEU A 103 -0.215 7.658 1.755 1.00 0.00 C ATOM 505 CG LEU A 103 0.764 8.662 2.364 1.00 0.00 C ATOM 506 CD1 LEU A 103 0.056 9.555 3.371 1.00 0.00 C ATOM 507 CD2 LEU A 103 1.932 7.939 3.018 1.00 0.00 C ATOM 0 H LEU A 103 -0.363 8.105 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 103 1.347 6.436 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.065 8.209 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.596 7.022 2.554 1.00 0.00 H new ATOM 0 HG LEU A 103 1.154 9.291 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.769 10.263 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.745 10.101 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.364 8.942 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.618 8.670 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.560 7.285 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.456 7.343 2.270 1.00 0.00 H new ATOM 519 N VAL A 104 0.095 4.355 0.453 1.00 0.00 N ATOM 520 CA VAL A 104 -0.631 3.099 0.306 1.00 0.00 C ATOM 521 C VAL A 104 -0.492 2.235 1.555 1.00 0.00 C ATOM 522 O VAL A 104 0.615 1.863 1.943 1.00 0.00 O ATOM 523 CB VAL A 104 -0.132 2.302 -0.914 1.00 0.00 C ATOM 524 CG1 VAL A 104 -1.244 1.425 -1.469 1.00 0.00 C ATOM 525 CG2 VAL A 104 0.399 3.245 -1.984 1.00 0.00 C ATOM 0 H VAL A 104 1.107 4.251 0.524 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.680 3.355 0.159 1.00 0.00 H new ATOM 0 HB VAL A 104 0.684 1.654 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.873 0.869 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.574 0.726 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.083 2.051 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.748 2.666 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.396 3.919 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.227 3.827 -1.578 1.00 0.00 H new ATOM 535 N GLU A 105 -1.623 1.919 2.178 1.00 0.00 N ATOM 536 CA GLU A 105 -1.626 1.098 3.383 1.00 0.00 C ATOM 537 C GLU A 105 -1.576 -0.386 3.031 1.00 0.00 C ATOM 538 O GLU A 105 -2.487 -0.916 2.395 1.00 0.00 O ATOM 539 CB GLU A 105 -2.870 1.392 4.224 1.00 0.00 C ATOM 540 CG GLU A 105 -3.173 0.321 5.257 1.00 0.00 C ATOM 541 CD GLU A 105 -4.005 -0.816 4.694 1.00 0.00 C ATOM 542 OE1 GLU A 105 -5.228 -0.630 4.527 1.00 0.00 O ATOM 543 OE2 GLU A 105 -3.431 -1.890 4.419 1.00 0.00 O ATOM 0 H GLU A 105 -2.548 2.219 1.869 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.737 1.346 3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -2.738 2.347 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.729 1.499 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.236 -0.078 5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.702 0.771 6.097 1.00 0.00 H new ATOM 550 N VAL A 106 -0.503 -1.051 3.448 1.00 0.00 N ATOM 551 CA VAL A 106 -0.333 -2.474 3.178 1.00 0.00 C ATOM 552 C VAL A 106 -0.069 -3.250 4.464 1.00 0.00 C ATOM 553 O VAL A 106 0.830 -2.909 5.232 1.00 0.00 O ATOM 554 CB VAL A 106 0.825 -2.724 2.194 1.00 0.00 C ATOM 555 CG1 VAL A 106 0.932 -4.204 1.859 1.00 0.00 C ATOM 556 CG2 VAL A 106 0.639 -1.896 0.931 1.00 0.00 C ATOM 0 H VAL A 106 0.261 -0.627 3.974 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.263 -2.824 2.730 1.00 0.00 H new ATOM 0 HB VAL A 106 1.756 -2.416 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.756 -4.361 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.115 -4.771 2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.002 -4.542 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.466 -2.085 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.300 -2.172 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.617 -0.837 1.190 1.00 0.00 H new ATOM 566 N GLU A 107 -0.858 -4.295 4.690 1.00 0.00 N ATOM 567 CA GLU A 107 -0.709 -5.120 5.884 1.00 0.00 C ATOM 568 C GLU A 107 -0.734 -4.261 7.145 1.00 0.00 C ATOM 569 O GLU A 107 -0.002 -4.519 8.100 1.00 0.00 O ATOM 570 CB GLU A 107 0.597 -5.916 5.821 1.00 0.00 C ATOM 571 CG GLU A 107 0.543 -7.100 4.871 1.00 0.00 C ATOM 572 CD GLU A 107 -0.192 -8.288 5.461 1.00 0.00 C ATOM 573 OE1 GLU A 107 -0.179 -8.439 6.700 1.00 0.00 O ATOM 574 OE2 GLU A 107 -0.780 -9.067 4.682 1.00 0.00 O ATOM 0 H GLU A 107 -1.606 -4.591 4.063 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.548 -5.815 5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.404 -5.251 5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.843 -6.274 6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.052 -6.797 3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.558 -7.399 4.610 1.00 0.00 H new ATOM 581 N GLY A 108 -1.581 -3.236 7.139 1.00 0.00 N ATOM 582 CA GLY A 108 -1.686 -2.354 8.287 1.00 0.00 C ATOM 583 C GLY A 108 -0.452 -1.491 8.469 1.00 0.00 C ATOM 584 O GLY A 108 -0.113 -1.111 9.590 1.00 0.00 O ATOM 0 H GLY A 108 -2.196 -3.001 6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -2.560 -1.713 8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.845 -2.950 9.186 1.00 0.00 H new ATOM 588 N ASP A 109 0.221 -1.183 7.366 1.00 0.00 N ATOM 589 CA ASP A 109 1.424 -0.361 7.409 1.00 0.00 C ATOM 590 C ASP A 109 1.506 0.546 6.185 1.00 0.00 C ATOM 591 O ASP A 109 1.659 0.074 5.058 1.00 0.00 O ATOM 592 CB ASP A 109 2.669 -1.245 7.490 1.00 0.00 C ATOM 593 CG ASP A 109 3.071 -1.551 8.919 1.00 0.00 C ATOM 594 OD1 ASP A 109 3.531 -0.623 9.618 1.00 0.00 O ATOM 595 OD2 ASP A 109 2.924 -2.717 9.340 1.00 0.00 O ATOM 0 H ASP A 109 -0.046 -1.490 6.431 1.00 0.00 H new ATOM 0 HA ASP A 109 1.375 0.265 8.300 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.482 -2.179 6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.496 -0.750 6.981 1.00 0.00 H new ATOM 600 N LYS A 110 1.404 1.851 6.414 1.00 0.00 N ATOM 601 CA LYS A 110 1.467 2.825 5.330 1.00 0.00 C ATOM 602 C LYS A 110 2.797 2.730 4.590 1.00 0.00 C ATOM 603 O LYS A 110 3.851 2.580 5.207 1.00 0.00 O ATOM 604 CB LYS A 110 1.275 4.241 5.879 1.00 0.00 C ATOM 605 CG LYS A 110 -0.105 4.486 6.464 1.00 0.00 C ATOM 606 CD LYS A 110 -0.196 5.851 7.124 1.00 0.00 C ATOM 607 CE LYS A 110 -1.203 5.852 8.265 1.00 0.00 C ATOM 608 NZ LYS A 110 -0.816 4.905 9.347 1.00 0.00 N ATOM 0 H LYS A 110 1.277 2.259 7.340 1.00 0.00 H new ATOM 0 HA LYS A 110 0.664 2.603 4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 110 2.025 4.428 6.648 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.454 4.959 5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.854 4.411 5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.334 3.711 7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.785 6.140 7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.484 6.596 6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.286 6.858 8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.187 5.582 7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.739 5.419 10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.539 4.162 9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.101 4.471 9.117 1.00 0.00 H new ATOM 622 N TRP A 111 2.739 2.820 3.266 1.00 0.00 N ATOM 623 CA TRP A 111 3.940 2.746 2.442 1.00 0.00 C ATOM 624 C TRP A 111 4.042 3.954 1.518 1.00 0.00 C ATOM 625 O TRP A 111 3.101 4.739 1.403 1.00 0.00 O ATOM 626 CB TRP A 111 3.940 1.457 1.619 1.00 0.00 C ATOM 627 CG TRP A 111 4.224 0.231 2.435 1.00 0.00 C ATOM 628 CD1 TRP A 111 3.306 -0.615 2.989 1.00 0.00 C ATOM 629 CD2 TRP A 111 5.512 -0.283 2.789 1.00 0.00 C ATOM 630 NE1 TRP A 111 3.946 -1.624 3.666 1.00 0.00 N ATOM 631 CE2 TRP A 111 5.300 -1.444 3.558 1.00 0.00 C ATOM 632 CE3 TRP A 111 6.824 0.122 2.529 1.00 0.00 C ATOM 633 CZ2 TRP A 111 6.351 -2.201 4.069 1.00 0.00 C ATOM 634 CZ3 TRP A 111 7.866 -0.629 3.038 1.00 0.00 C ATOM 635 CH2 TRP A 111 7.625 -1.780 3.800 1.00 0.00 C ATOM 0 H TRP A 111 1.874 2.944 2.740 1.00 0.00 H new ATOM 0 HA TRP A 111 4.805 2.746 3.105 1.00 0.00 H new ATOM 0 HB2 TRP A 111 2.971 1.345 1.133 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.686 1.539 0.828 1.00 0.00 H new ATOM 0 HD1 TRP A 111 2.235 -0.506 2.907 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.488 -2.384 4.168 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.020 1.006 1.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 6.167 -3.088 4.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.884 -0.324 2.845 1.00 0.00 H new ATOM 0 HH2 TRP A 111 8.461 -2.346 4.183 1.00 0.00 H new ATOM 646 N ILE A 112 5.188 4.096 0.860 1.00 0.00 N ATOM 647 CA ILE A 112 5.410 5.208 -0.055 1.00 0.00 C ATOM 648 C ILE A 112 5.581 4.715 -1.488 1.00 0.00 C ATOM 649 O ILE A 112 6.681 4.349 -1.901 1.00 0.00 O ATOM 650 CB ILE A 112 6.651 6.028 0.346 1.00 0.00 C ATOM 651 CG1 ILE A 112 6.481 6.594 1.757 1.00 0.00 C ATOM 652 CG2 ILE A 112 6.891 7.149 -0.655 1.00 0.00 C ATOM 653 CD1 ILE A 112 7.787 6.764 2.501 1.00 0.00 C ATOM 0 H ILE A 112 5.977 3.455 0.944 1.00 0.00 H new ATOM 0 HA ILE A 112 4.528 5.846 0.004 1.00 0.00 H new ATOM 0 HB ILE A 112 7.520 5.370 0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.979 7.560 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.830 5.933 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.771 7.720 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.051 6.724 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.023 7.808 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.590 7.169 3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.281 5.797 2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.433 7.449 1.951 1.00 0.00 H new ATOM 665 N ALA A 113 4.487 4.711 -2.241 1.00 0.00 N ATOM 666 CA ALA A 113 4.516 4.267 -3.629 1.00 0.00 C ATOM 667 C ALA A 113 4.288 5.434 -4.584 1.00 0.00 C ATOM 668 O ALA A 113 3.781 6.484 -4.187 1.00 0.00 O ATOM 669 CB ALA A 113 3.474 3.183 -3.859 1.00 0.00 C ATOM 0 H ALA A 113 3.569 5.010 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 113 5.504 3.854 -3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.507 2.861 -4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.684 2.333 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.483 3.577 -3.633 1.00 0.00 H new ATOM 675 N TYR A 114 4.665 5.245 -5.843 1.00 0.00 N ATOM 676 CA TYR A 114 4.503 6.283 -6.854 1.00 0.00 C ATOM 677 C TYR A 114 3.851 5.721 -8.114 1.00 0.00 C ATOM 678 O TYR A 114 4.368 4.791 -8.732 1.00 0.00 O ATOM 679 CB TYR A 114 5.859 6.902 -7.201 1.00 0.00 C ATOM 680 CG TYR A 114 6.926 5.880 -7.522 1.00 0.00 C ATOM 681 CD1 TYR A 114 7.424 5.034 -6.538 1.00 0.00 C ATOM 682 CD2 TYR A 114 7.438 5.761 -8.808 1.00 0.00 C ATOM 683 CE1 TYR A 114 8.400 4.099 -6.826 1.00 0.00 C ATOM 684 CE2 TYR A 114 8.413 4.828 -9.105 1.00 0.00 C ATOM 685 CZ TYR A 114 8.890 4.000 -8.111 1.00 0.00 C ATOM 686 OH TYR A 114 9.862 3.071 -8.403 1.00 0.00 O ATOM 0 H TYR A 114 5.085 4.382 -6.188 1.00 0.00 H new ATOM 0 HA TYR A 114 3.852 7.055 -6.444 1.00 0.00 H new ATOM 0 HB2 TYR A 114 5.737 7.568 -8.055 1.00 0.00 H new ATOM 0 HB3 TYR A 114 6.194 7.515 -6.364 1.00 0.00 H new ATOM 0 HD1 TYR A 114 7.042 5.109 -5.531 1.00 0.00 H new ATOM 0 HD2 TYR A 114 7.068 6.409 -9.589 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.777 3.450 -6.049 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.799 4.748 -10.110 1.00 0.00 H new ATOM 0 HH TYR A 114 10.097 3.130 -9.353 1.00 0.00 H new ATOM 696 N SER A 115 2.711 6.294 -8.488 1.00 0.00 N ATOM 697 CA SER A 115 1.985 5.849 -9.671 1.00 0.00 C ATOM 698 C SER A 115 1.723 7.016 -10.619 1.00 0.00 C ATOM 699 O SER A 115 1.069 7.992 -10.252 1.00 0.00 O ATOM 700 CB SER A 115 0.661 5.198 -9.268 1.00 0.00 C ATOM 701 OG SER A 115 -0.183 5.020 -10.393 1.00 0.00 O ATOM 0 H SER A 115 2.271 7.067 -7.989 1.00 0.00 H new ATOM 0 HA SER A 115 2.601 5.114 -10.189 1.00 0.00 H new ATOM 0 HB2 SER A 115 0.854 4.234 -8.798 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.158 5.819 -8.526 1.00 0.00 H new ATOM 0 HG SER A 115 -0.830 5.755 -10.436 1.00 0.00 H new ATOM 707 N ASP A 116 2.240 6.907 -11.838 1.00 0.00 N ATOM 708 CA ASP A 116 2.062 7.952 -12.839 1.00 0.00 C ATOM 709 C ASP A 116 0.581 8.182 -13.128 1.00 0.00 C ATOM 710 O ASP A 116 0.188 9.254 -13.585 1.00 0.00 O ATOM 711 CB ASP A 116 2.794 7.581 -14.130 1.00 0.00 C ATOM 712 CG ASP A 116 4.289 7.432 -13.925 1.00 0.00 C ATOM 713 OD1 ASP A 116 5.001 8.456 -13.986 1.00 0.00 O ATOM 714 OD2 ASP A 116 4.747 6.291 -13.704 1.00 0.00 O ATOM 0 H ASP A 116 2.785 6.106 -12.156 1.00 0.00 H new ATOM 0 HA ASP A 116 2.484 8.876 -12.443 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.389 6.647 -14.519 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.608 8.347 -14.883 1.00 0.00 H new ATOM 719 N GLU A 117 -0.233 7.166 -12.858 1.00 0.00 N ATOM 720 CA GLU A 117 -1.670 7.258 -13.091 1.00 0.00 C ATOM 721 C GLU A 117 -2.380 7.862 -11.883 1.00 0.00 C ATOM 722 O GLU A 117 -2.402 7.273 -10.802 1.00 0.00 O ATOM 723 CB GLU A 117 -2.248 5.875 -13.398 1.00 0.00 C ATOM 724 CG GLU A 117 -1.883 5.354 -14.777 1.00 0.00 C ATOM 725 CD GLU A 117 -2.246 3.894 -14.965 1.00 0.00 C ATOM 726 OE1 GLU A 117 -1.501 3.028 -14.457 1.00 0.00 O ATOM 727 OE2 GLU A 117 -3.273 3.616 -15.618 1.00 0.00 O ATOM 0 H GLU A 117 0.077 6.271 -12.479 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.832 7.911 -13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.895 5.168 -12.647 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -3.334 5.917 -13.311 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -2.392 5.951 -15.533 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -0.813 5.482 -14.938 1.00 0.00 H new ATOM 734 N LYS A 118 -2.959 9.043 -12.074 1.00 0.00 N ATOM 735 CA LYS A 118 -3.670 9.729 -11.002 1.00 0.00 C ATOM 736 C LYS A 118 -4.670 8.795 -10.328 1.00 0.00 C ATOM 737 O LYS A 118 -5.758 8.551 -10.852 1.00 0.00 O ATOM 738 CB LYS A 118 -4.396 10.960 -11.550 1.00 0.00 C ATOM 739 CG LYS A 118 -3.501 12.179 -11.694 1.00 0.00 C ATOM 740 CD LYS A 118 -3.977 13.091 -12.812 1.00 0.00 C ATOM 741 CE LYS A 118 -5.031 14.071 -12.321 1.00 0.00 C ATOM 742 NZ LYS A 118 -6.388 13.457 -12.291 1.00 0.00 N ATOM 0 H LYS A 118 -2.950 9.545 -12.962 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.938 10.047 -10.259 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -4.824 10.716 -12.523 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -5.227 11.206 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -3.484 12.732 -10.755 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.478 11.859 -11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.129 13.641 -13.220 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.387 12.490 -13.623 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.767 14.418 -11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.043 14.947 -12.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -7.108 14.207 -12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -6.517 12.858 -13.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -6.487 12.876 -11.434 1.00 0.00 H new ATOM 756 N LEU A 119 -4.296 8.276 -9.164 1.00 0.00 N ATOM 757 CA LEU A 119 -5.161 7.370 -8.416 1.00 0.00 C ATOM 758 C LEU A 119 -6.249 8.142 -7.677 1.00 0.00 C ATOM 759 O LEU A 119 -6.298 9.371 -7.730 1.00 0.00 O ATOM 760 CB LEU A 119 -4.337 6.550 -7.423 1.00 0.00 C ATOM 761 CG LEU A 119 -3.101 5.852 -7.991 1.00 0.00 C ATOM 762 CD1 LEU A 119 -2.299 5.195 -6.877 1.00 0.00 C ATOM 763 CD2 LEU A 119 -3.503 4.824 -9.038 1.00 0.00 C ATOM 0 H LEU A 119 -3.399 8.467 -8.717 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.639 6.695 -9.126 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.018 7.209 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.986 5.794 -6.981 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.472 6.602 -8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.423 4.703 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.979 5.954 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.919 4.457 -6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.611 4.337 -9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -4.153 4.077 -8.583 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.033 5.321 -9.851 1.00 0.00 H new ATOM 775 N SER A 120 -7.120 7.413 -6.986 1.00 0.00 N ATOM 776 CA SER A 120 -8.209 8.029 -6.237 1.00 0.00 C ATOM 777 C SER A 120 -8.282 7.463 -4.822 1.00 0.00 C ATOM 778 O SER A 120 -8.172 6.253 -4.618 1.00 0.00 O ATOM 779 CB SER A 120 -9.541 7.807 -6.957 1.00 0.00 C ATOM 780 OG SER A 120 -9.357 7.739 -8.360 1.00 0.00 O ATOM 0 H SER A 120 -7.093 6.395 -6.929 1.00 0.00 H new ATOM 0 HA SER A 120 -8.013 9.099 -6.172 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.000 6.884 -6.602 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.228 8.618 -6.716 1.00 0.00 H new ATOM 0 HG SER A 120 -9.058 6.839 -8.607 1.00 0.00 H new ATOM 786 N LEU A 121 -8.470 8.346 -3.848 1.00 0.00 N ATOM 787 CA LEU A 121 -8.559 7.937 -2.450 1.00 0.00 C ATOM 788 C LEU A 121 -9.527 6.771 -2.285 1.00 0.00 C ATOM 789 O LEU A 121 -10.708 6.880 -2.613 1.00 0.00 O ATOM 790 CB LEU A 121 -9.006 9.114 -1.581 1.00 0.00 C ATOM 791 CG LEU A 121 -8.060 10.314 -1.538 1.00 0.00 C ATOM 792 CD1 LEU A 121 -8.816 11.575 -1.149 1.00 0.00 C ATOM 793 CD2 LEU A 121 -6.915 10.056 -0.569 1.00 0.00 C ATOM 0 H LEU A 121 -8.564 9.350 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 121 -7.570 7.612 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -9.977 9.455 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -9.150 8.754 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 121 -7.641 10.458 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -8.127 12.419 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -9.601 11.769 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -9.263 11.442 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -6.252 10.921 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -7.315 9.885 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.357 9.177 -0.891 1.00 0.00 H new ATOM 805 N GLY A 122 -9.019 5.654 -1.773 1.00 0.00 N ATOM 806 CA GLY A 122 -9.854 4.484 -1.571 1.00 0.00 C ATOM 807 C GLY A 122 -9.748 3.492 -2.712 1.00 0.00 C ATOM 808 O GLY A 122 -10.461 2.489 -2.740 1.00 0.00 O ATOM 0 H GLY A 122 -8.045 5.538 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -9.569 3.994 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -10.892 4.797 -1.461 1.00 0.00 H new ATOM 812 N ASP A 123 -8.858 3.774 -3.658 1.00 0.00 N ATOM 813 CA ASP A 123 -8.661 2.899 -4.808 1.00 0.00 C ATOM 814 C ASP A 123 -7.790 1.703 -4.438 1.00 0.00 C ATOM 815 O ASP A 123 -6.749 1.854 -3.798 1.00 0.00 O ATOM 816 CB ASP A 123 -8.023 3.673 -5.962 1.00 0.00 C ATOM 817 CG ASP A 123 -9.050 4.392 -6.815 1.00 0.00 C ATOM 818 OD1 ASP A 123 -10.260 4.233 -6.547 1.00 0.00 O ATOM 819 OD2 ASP A 123 -8.644 5.114 -7.749 1.00 0.00 O ATOM 0 H ASP A 123 -8.262 4.602 -3.651 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.637 2.531 -5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.315 4.399 -5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.454 2.984 -6.587 1.00 0.00 H new ATOM 824 N ARG A 124 -8.223 0.513 -4.844 1.00 0.00 N ATOM 825 CA ARG A 124 -7.483 -0.709 -4.554 1.00 0.00 C ATOM 826 C ARG A 124 -6.303 -0.870 -5.508 1.00 0.00 C ATOM 827 O ARG A 124 -6.472 -0.867 -6.727 1.00 0.00 O ATOM 828 CB ARG A 124 -8.406 -1.925 -4.657 1.00 0.00 C ATOM 829 CG ARG A 124 -7.825 -3.184 -4.035 1.00 0.00 C ATOM 830 CD ARG A 124 -8.200 -3.305 -2.566 1.00 0.00 C ATOM 831 NE ARG A 124 -8.174 -4.691 -2.106 1.00 0.00 N ATOM 832 CZ ARG A 124 -8.791 -5.113 -1.009 1.00 0.00 C ATOM 833 NH1 ARG A 124 -9.480 -4.260 -0.262 1.00 0.00 N ATOM 834 NH2 ARG A 124 -8.721 -6.390 -0.656 1.00 0.00 N ATOM 0 H ARG A 124 -9.082 0.370 -5.375 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.098 -0.638 -3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.354 -1.694 -4.171 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.625 -2.116 -5.707 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.186 -4.058 -4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.740 -3.173 -4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.511 -2.711 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.196 -2.890 -2.411 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.653 -5.372 -2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -9.536 -3.278 -0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -9.953 -4.587 0.580 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -8.193 -7.049 -1.228 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -9.196 -6.713 0.187 1.00 0.00 H new ATOM 848 N VAL A 125 -5.108 -1.010 -4.944 1.00 0.00 N ATOM 849 CA VAL A 125 -3.899 -1.173 -5.744 1.00 0.00 C ATOM 850 C VAL A 125 -3.038 -2.312 -5.211 1.00 0.00 C ATOM 851 O VAL A 125 -2.928 -2.508 -4.001 1.00 0.00 O ATOM 852 CB VAL A 125 -3.064 0.121 -5.768 1.00 0.00 C ATOM 853 CG1 VAL A 125 -3.894 1.283 -6.290 1.00 0.00 C ATOM 854 CG2 VAL A 125 -2.515 0.426 -4.382 1.00 0.00 C ATOM 0 H VAL A 125 -4.951 -1.014 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 125 -4.219 -1.408 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.221 -0.023 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.287 2.188 -6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.233 1.062 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -4.758 1.432 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -1.928 1.343 -4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.342 0.551 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -1.882 -0.398 -4.052 1.00 0.00 H new ATOM 864 N MET A 126 -2.427 -3.061 -6.123 1.00 0.00 N ATOM 865 CA MET A 126 -1.572 -4.180 -5.745 1.00 0.00 C ATOM 866 C MET A 126 -0.106 -3.864 -6.024 1.00 0.00 C ATOM 867 O MET A 126 0.222 -3.227 -7.026 1.00 0.00 O ATOM 868 CB MET A 126 -1.986 -5.444 -6.501 1.00 0.00 C ATOM 869 CG MET A 126 -1.273 -6.699 -6.025 1.00 0.00 C ATOM 870 SD MET A 126 -2.163 -8.208 -6.450 1.00 0.00 S ATOM 871 CE MET A 126 -1.775 -8.350 -8.192 1.00 0.00 C ATOM 0 H MET A 126 -2.508 -2.913 -7.129 1.00 0.00 H new ATOM 0 HA MET A 126 -1.691 -4.350 -4.675 1.00 0.00 H new ATOM 0 HB2 MET A 126 -3.062 -5.585 -6.395 1.00 0.00 H new ATOM 0 HB3 MET A 126 -1.786 -5.304 -7.563 1.00 0.00 H new ATOM 0 HG2 MET A 126 -0.276 -6.734 -6.464 1.00 0.00 H new ATOM 0 HG3 MET A 126 -1.144 -6.651 -4.944 1.00 0.00 H new ATOM 0 HE1 MET A 126 -2.256 -9.239 -8.600 1.00 0.00 H new ATOM 0 HE2 MET A 126 -2.137 -7.467 -8.719 1.00 0.00 H new ATOM 0 HE3 MET A 126 -0.695 -8.430 -8.319 1.00 0.00 H new ATOM 881 N VAL A 127 0.772 -4.312 -5.132 1.00 0.00 N ATOM 882 CA VAL A 127 2.203 -4.077 -5.283 1.00 0.00 C ATOM 883 C VAL A 127 2.762 -4.840 -6.479 1.00 0.00 C ATOM 884 O VAL A 127 2.719 -6.070 -6.520 1.00 0.00 O ATOM 885 CB VAL A 127 2.976 -4.491 -4.017 1.00 0.00 C ATOM 886 CG1 VAL A 127 4.448 -4.132 -4.150 1.00 0.00 C ATOM 887 CG2 VAL A 127 2.369 -3.837 -2.785 1.00 0.00 C ATOM 0 H VAL A 127 0.517 -4.840 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 127 2.333 -3.007 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 127 2.899 -5.572 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.979 -4.432 -3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.873 -4.651 -5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.549 -3.056 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.927 -4.140 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 127 2.414 -2.753 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.329 -4.148 -2.683 1.00 0.00 H new ATOM 897 N VAL A 128 3.287 -4.103 -7.452 1.00 0.00 N ATOM 898 CA VAL A 128 3.857 -4.709 -8.649 1.00 0.00 C ATOM 899 C VAL A 128 5.337 -5.019 -8.457 1.00 0.00 C ATOM 900 O VAL A 128 5.905 -5.852 -9.164 1.00 0.00 O ATOM 901 CB VAL A 128 3.690 -3.794 -9.876 1.00 0.00 C ATOM 902 CG1 VAL A 128 4.473 -2.503 -9.690 1.00 0.00 C ATOM 903 CG2 VAL A 128 4.129 -4.515 -11.142 1.00 0.00 C ATOM 0 H VAL A 128 3.329 -3.084 -7.435 1.00 0.00 H new ATOM 0 HA VAL A 128 3.314 -5.638 -8.822 1.00 0.00 H new ATOM 0 HB VAL A 128 2.635 -3.540 -9.977 1.00 0.00 H new ATOM 0 HG11 VAL A 128 4.343 -1.869 -10.567 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.107 -1.980 -8.807 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.531 -2.734 -9.563 1.00 0.00 H new ATOM 0 HG21 VAL A 128 4.004 -3.854 -11.999 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.177 -4.800 -11.053 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.520 -5.408 -11.281 1.00 0.00 H new ATOM 913 N ASP A 129 5.957 -4.344 -7.496 1.00 0.00 N ATOM 914 CA ASP A 129 7.372 -4.547 -7.208 1.00 0.00 C ATOM 915 C ASP A 129 7.787 -3.788 -5.952 1.00 0.00 C ATOM 916 O ASP A 129 7.229 -2.737 -5.637 1.00 0.00 O ATOM 917 CB ASP A 129 8.226 -4.098 -8.396 1.00 0.00 C ATOM 918 CG ASP A 129 9.668 -4.549 -8.276 1.00 0.00 C ATOM 919 OD1 ASP A 129 9.964 -5.700 -8.661 1.00 0.00 O ATOM 920 OD2 ASP A 129 10.501 -3.751 -7.798 1.00 0.00 O ATOM 0 H ASP A 129 5.502 -3.651 -6.902 1.00 0.00 H new ATOM 0 HA ASP A 129 7.532 -5.611 -7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.800 -4.496 -9.317 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.194 -3.011 -8.473 1.00 0.00 H new ATOM 925 N VAL A 130 8.768 -4.328 -5.237 1.00 0.00 N ATOM 926 CA VAL A 130 9.258 -3.702 -4.014 1.00 0.00 C ATOM 927 C VAL A 130 10.754 -3.421 -4.102 1.00 0.00 C ATOM 928 O VAL A 130 11.526 -4.257 -4.571 1.00 0.00 O ATOM 929 CB VAL A 130 8.983 -4.585 -2.783 1.00 0.00 C ATOM 930 CG1 VAL A 130 9.501 -3.915 -1.519 1.00 0.00 C ATOM 931 CG2 VAL A 130 7.497 -4.887 -2.665 1.00 0.00 C ATOM 0 H VAL A 130 9.240 -5.198 -5.483 1.00 0.00 H new ATOM 0 HA VAL A 130 8.721 -2.760 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 130 9.513 -5.529 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 130 9.298 -4.554 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 130 10.576 -3.755 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 130 9.001 -2.956 -1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 130 7.321 -5.512 -1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.943 -3.954 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.160 -5.412 -3.559 1.00 0.00 H new ATOM 941 N ASP A 131 11.156 -2.240 -3.646 1.00 0.00 N ATOM 942 CA ASP A 131 12.560 -1.849 -3.670 1.00 0.00 C ATOM 943 C ASP A 131 13.024 -1.400 -2.288 1.00 0.00 C ATOM 944 O ASP A 131 13.991 -0.652 -2.159 1.00 0.00 O ATOM 945 CB ASP A 131 12.782 -0.727 -4.685 1.00 0.00 C ATOM 946 CG ASP A 131 14.171 -0.760 -5.292 1.00 0.00 C ATOM 947 OD1 ASP A 131 15.153 -0.617 -4.533 1.00 0.00 O ATOM 948 OD2 ASP A 131 14.276 -0.930 -6.524 1.00 0.00 O ATOM 0 H ASP A 131 10.529 -1.537 -3.255 1.00 0.00 H new ATOM 0 HA ASP A 131 13.148 -2.718 -3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 131 12.040 -0.808 -5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 131 12.624 0.235 -4.198 1.00 0.00 H new ATOM 953 N GLY A 132 12.325 -1.863 -1.256 1.00 0.00 N ATOM 954 CA GLY A 132 12.679 -1.498 0.104 1.00 0.00 C ATOM 955 C GLY A 132 11.704 -0.508 0.710 1.00 0.00 C ATOM 956 O GLY A 132 10.625 -0.888 1.167 1.00 0.00 O ATOM 0 H GLY A 132 11.520 -2.484 -1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 132 12.711 -2.396 0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 132 13.681 -1.069 0.113 1.00 0.00 H new ATOM 960 N LEU A 133 12.083 0.765 0.717 1.00 0.00 N ATOM 961 CA LEU A 133 11.236 1.813 1.274 1.00 0.00 C ATOM 962 C LEU A 133 10.337 2.416 0.199 1.00 0.00 C ATOM 963 O LEU A 133 9.961 3.586 0.272 1.00 0.00 O ATOM 964 CB LEU A 133 12.095 2.908 1.909 1.00 0.00 C ATOM 965 CG LEU A 133 12.487 2.691 3.371 1.00 0.00 C ATOM 966 CD1 LEU A 133 13.742 3.480 3.710 1.00 0.00 C ATOM 967 CD2 LEU A 133 11.343 3.082 4.294 1.00 0.00 C ATOM 0 H LEU A 133 12.972 1.096 0.343 1.00 0.00 H new ATOM 0 HA LEU A 133 10.604 1.365 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 133 13.007 3.013 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.557 3.853 1.834 1.00 0.00 H new ATOM 0 HG LEU A 133 12.698 1.632 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 133 14.006 3.313 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 133 14.562 3.151 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 133 13.559 4.542 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 133 11.640 2.921 5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 133 11.099 4.134 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.469 2.472 4.068 1.00 0.00 H new ATOM 979 N LYS A 134 9.993 1.608 -0.798 1.00 0.00 N ATOM 980 CA LYS A 134 9.136 2.058 -1.888 1.00 0.00 C ATOM 981 C LYS A 134 8.683 0.881 -2.746 1.00 0.00 C ATOM 982 O LYS A 134 9.482 0.011 -3.095 1.00 0.00 O ATOM 983 CB LYS A 134 9.873 3.082 -2.754 1.00 0.00 C ATOM 984 CG LYS A 134 11.152 2.546 -3.373 1.00 0.00 C ATOM 985 CD LYS A 134 11.577 3.370 -4.577 1.00 0.00 C ATOM 986 CE LYS A 134 12.364 2.534 -5.575 1.00 0.00 C ATOM 987 NZ LYS A 134 13.808 2.460 -5.220 1.00 0.00 N ATOM 0 H LYS A 134 10.295 0.637 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 134 8.254 2.528 -1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.208 3.419 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 134 10.111 3.955 -2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.948 2.551 -2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.005 1.509 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 134 10.695 3.786 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.185 4.212 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.948 1.527 -5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 134 12.257 2.962 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 14.309 1.882 -5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.212 3.418 -5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.913 2.028 -4.280 1.00 0.00 H new ATOM 1001 N LEU A 135 7.399 0.861 -3.085 1.00 0.00 N ATOM 1002 CA LEU A 135 6.840 -0.208 -3.905 1.00 0.00 C ATOM 1003 C LEU A 135 5.836 0.345 -4.911 1.00 0.00 C ATOM 1004 O LEU A 135 4.947 1.119 -4.555 1.00 0.00 O ATOM 1005 CB LEU A 135 6.167 -1.258 -3.019 1.00 0.00 C ATOM 1006 CG LEU A 135 5.594 -0.752 -1.695 1.00 0.00 C ATOM 1007 CD1 LEU A 135 4.440 -1.632 -1.241 1.00 0.00 C ATOM 1008 CD2 LEU A 135 6.679 -0.700 -0.629 1.00 0.00 C ATOM 0 H LEU A 135 6.725 1.573 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 135 7.657 -0.675 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.360 -1.721 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.894 -2.041 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 135 5.215 0.258 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.045 -1.256 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.653 -1.618 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.793 -2.654 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 135 6.253 -0.338 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 135 7.089 -1.699 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 135 7.473 -0.026 -0.951 1.00 0.00 H new ATOM 1020 N LYS A 136 5.982 -0.059 -6.168 1.00 0.00 N ATOM 1021 CA LYS A 136 5.086 0.392 -7.226 1.00 0.00 C ATOM 1022 C LYS A 136 3.693 -0.205 -7.052 1.00 0.00 C ATOM 1023 O LYS A 136 3.546 -1.406 -6.822 1.00 0.00 O ATOM 1024 CB LYS A 136 5.649 0.009 -8.597 1.00 0.00 C ATOM 1025 CG LYS A 136 6.760 0.927 -9.076 1.00 0.00 C ATOM 1026 CD LYS A 136 7.244 0.540 -10.463 1.00 0.00 C ATOM 1027 CE LYS A 136 6.231 0.921 -11.532 1.00 0.00 C ATOM 1028 NZ LYS A 136 6.428 2.318 -12.011 1.00 0.00 N ATOM 0 H LYS A 136 6.713 -0.699 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 136 5.007 1.477 -7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.027 -1.012 -8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 136 4.841 0.019 -9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 136 6.402 1.957 -9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 136 7.593 0.888 -8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 136 8.194 1.032 -10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 136 7.427 -0.534 -10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 136 6.315 0.233 -12.374 1.00 0.00 H new ATOM 0 HE3 LYS A 136 5.223 0.813 -11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 5.718 2.539 -12.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.323 2.977 -11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 7.381 2.415 -12.416 1.00 0.00 H new ATOM 1042 N VAL A 137 2.673 0.640 -7.164 1.00 0.00 N ATOM 1043 CA VAL A 137 1.292 0.195 -7.022 1.00 0.00 C ATOM 1044 C VAL A 137 0.502 0.436 -8.303 1.00 0.00 C ATOM 1045 O VAL A 137 0.510 1.538 -8.852 1.00 0.00 O ATOM 1046 CB VAL A 137 0.589 0.913 -5.855 1.00 0.00 C ATOM 1047 CG1 VAL A 137 1.281 0.596 -4.538 1.00 0.00 C ATOM 1048 CG2 VAL A 137 0.550 2.414 -6.099 1.00 0.00 C ATOM 0 H VAL A 137 2.777 1.637 -7.353 1.00 0.00 H new ATOM 0 HA VAL A 137 1.324 -0.875 -6.815 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.437 0.551 -5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.770 1.112 -3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.251 -0.479 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.318 0.927 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.050 2.905 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.567 2.795 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.005 2.619 -7.020 1.00 0.00 H new ATOM 1058 N LYS A 138 -0.181 -0.602 -8.774 1.00 0.00 N ATOM 1059 CA LYS A 138 -0.979 -0.504 -9.991 1.00 0.00 C ATOM 1060 C LYS A 138 -2.469 -0.514 -9.666 1.00 0.00 C ATOM 1061 O LYS A 138 -2.940 -1.349 -8.894 1.00 0.00 O ATOM 1062 CB LYS A 138 -0.645 -1.659 -10.938 1.00 0.00 C ATOM 1063 CG LYS A 138 0.815 -1.700 -11.356 1.00 0.00 C ATOM 1064 CD LYS A 138 1.023 -2.596 -12.566 1.00 0.00 C ATOM 1065 CE LYS A 138 0.850 -1.826 -13.866 1.00 0.00 C ATOM 1066 NZ LYS A 138 -0.585 -1.574 -14.174 1.00 0.00 N ATOM 0 H LYS A 138 -0.198 -1.521 -8.332 1.00 0.00 H new ATOM 0 HA LYS A 138 -0.738 0.440 -10.480 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -0.902 -2.601 -10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -1.267 -1.579 -11.829 1.00 0.00 H new ATOM 0 HG2 LYS A 138 1.157 -0.691 -11.586 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.422 -2.061 -10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.021 -3.032 -12.530 1.00 0.00 H new ATOM 0 HD3 LYS A 138 0.313 -3.423 -12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 138 1.379 -0.876 -13.798 1.00 0.00 H new ATOM 0 HE3 LYS A 138 1.304 -2.386 -14.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -0.714 -1.516 -15.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -1.163 -2.352 -13.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -0.882 -0.678 -13.737 1.00 0.00 H new ATOM 1080 N ARG A 139 -3.205 0.419 -10.261 1.00 0.00 N ATOM 1081 CA ARG A 139 -4.642 0.517 -10.035 1.00 0.00 C ATOM 1082 C ARG A 139 -5.349 -0.767 -10.460 1.00 0.00 C ATOM 1083 O ARG A 139 -5.253 -1.187 -11.613 1.00 0.00 O ATOM 1084 CB ARG A 139 -5.221 1.708 -10.802 1.00 0.00 C ATOM 1085 CG ARG A 139 -6.738 1.783 -10.756 1.00 0.00 C ATOM 1086 CD ARG A 139 -7.220 2.619 -9.582 1.00 0.00 C ATOM 1087 NE ARG A 139 -7.347 4.032 -9.931 1.00 0.00 N ATOM 1088 CZ ARG A 139 -8.365 4.529 -10.623 1.00 0.00 C ATOM 1089 NH1 ARG A 139 -9.341 3.733 -11.038 1.00 0.00 N ATOM 1090 NH2 ARG A 139 -8.410 5.826 -10.902 1.00 0.00 N ATOM 0 H ARG A 139 -2.830 1.117 -10.903 1.00 0.00 H new ATOM 0 HA ARG A 139 -4.806 0.666 -8.968 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -4.808 2.629 -10.391 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -4.900 1.650 -11.842 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -7.110 2.212 -11.686 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -7.151 0.777 -10.681 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.184 2.242 -9.240 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -6.523 2.512 -8.751 1.00 0.00 H new ATOM 0 HE ARG A 139 -6.613 4.672 -9.626 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -9.311 2.736 -10.826 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -10.122 4.118 -11.569 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -7.662 6.442 -10.585 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -9.193 6.206 -11.434 1.00 0.00 H new ATOM 1104 N ILE A 140 -6.057 -1.385 -9.521 1.00 0.00 N ATOM 1105 CA ILE A 140 -6.779 -2.620 -9.799 1.00 0.00 C ATOM 1106 C ILE A 140 -8.243 -2.506 -9.386 1.00 0.00 C ATOM 1107 O ILE A 140 -8.579 -1.929 -8.352 1.00 0.00 O ATOM 1108 CB ILE A 140 -6.145 -3.819 -9.070 1.00 0.00 C ATOM 1109 CG1 ILE A 140 -6.185 -3.604 -7.556 1.00 0.00 C ATOM 1110 CG2 ILE A 140 -4.714 -4.030 -9.543 1.00 0.00 C ATOM 1111 CD1 ILE A 140 -5.954 -4.868 -6.759 1.00 0.00 C ATOM 0 H ILE A 140 -6.146 -1.051 -8.561 1.00 0.00 H new ATOM 0 HA ILE A 140 -6.719 -2.785 -10.875 1.00 0.00 H new ATOM 0 HB ILE A 140 -6.721 -4.714 -9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -5.429 -2.868 -7.282 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -7.153 -3.184 -7.283 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -4.279 -4.881 -9.019 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -4.710 -4.224 -10.616 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -4.126 -3.136 -9.334 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -5.996 -4.639 -5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.725 -5.599 -7.004 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -4.974 -5.278 -7.003 1.00 0.00 H new