USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=10 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 Set 1.1: A 102 TYR OH : rot 101:sc= 1.2 USER MOD Set 1.2: A 115 SER OG : rot -60:sc= 0.844 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0995 USER MOD Single : A 88 LYS NZ :NH3+ -129:sc= -1.55 (180deg=-4.75!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 161:sc= -0.0209 (180deg=-0.369) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HE2:sc= -0.524 K(o=-0.52,f=-1.3) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 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 -159:sc= -0.0288 (180deg=-0.217) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -152:sc= -0.919 (180deg=-1.96!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 187 N THR A 84 9.216 -5.709 6.238 1.00 0.00 N ATOM 188 CA THR A 84 9.006 -7.147 6.133 1.00 0.00 C ATOM 189 C THR A 84 9.341 -7.651 4.734 1.00 0.00 C ATOM 190 O THR A 84 9.622 -8.834 4.540 1.00 0.00 O ATOM 191 CB THR A 84 7.552 -7.529 6.469 1.00 0.00 C ATOM 192 OG1 THR A 84 7.401 -8.952 6.445 1.00 0.00 O ATOM 193 CG2 THR A 84 6.584 -6.895 5.481 1.00 0.00 C ATOM 0 HA THR A 84 9.673 -7.617 6.855 1.00 0.00 H new ATOM 0 HB THR A 84 7.324 -7.157 7.468 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.474 -9.186 6.661 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.564 -7.179 5.738 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.680 -5.810 5.523 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.814 -7.241 4.473 1.00 0.00 H new ATOM 201 N PHE A 85 9.312 -6.747 3.761 1.00 0.00 N ATOM 202 CA PHE A 85 9.613 -7.100 2.379 1.00 0.00 C ATOM 203 C PHE A 85 8.663 -8.183 1.875 1.00 0.00 C ATOM 204 O PHE A 85 9.080 -9.125 1.202 1.00 0.00 O ATOM 205 CB PHE A 85 11.061 -7.579 2.256 1.00 0.00 C ATOM 206 CG PHE A 85 11.433 -8.016 0.868 1.00 0.00 C ATOM 207 CD1 PHE A 85 10.729 -7.551 -0.231 1.00 0.00 C ATOM 208 CD2 PHE A 85 12.485 -8.894 0.663 1.00 0.00 C ATOM 209 CE1 PHE A 85 11.068 -7.951 -1.509 1.00 0.00 C ATOM 210 CE2 PHE A 85 12.830 -9.297 -0.614 1.00 0.00 C ATOM 211 CZ PHE A 85 12.120 -8.826 -1.701 1.00 0.00 C ATOM 0 H PHE A 85 9.083 -5.763 3.904 1.00 0.00 H new ATOM 0 HA PHE A 85 9.479 -6.209 1.766 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.729 -6.775 2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 85 11.220 -8.409 2.944 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.905 -6.868 -0.087 1.00 0.00 H new ATOM 0 HD2 PHE A 85 13.042 -9.268 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.511 -7.580 -2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 85 13.654 -9.979 -0.761 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.387 -9.141 -2.699 1.00 0.00 H new ATOM 221 N GLU A 86 7.384 -8.041 2.208 1.00 0.00 N ATOM 222 CA GLU A 86 6.375 -9.008 1.790 1.00 0.00 C ATOM 223 C GLU A 86 5.238 -8.318 1.041 1.00 0.00 C ATOM 224 O GLU A 86 4.543 -8.940 0.236 1.00 0.00 O ATOM 225 CB GLU A 86 5.820 -9.756 3.004 1.00 0.00 C ATOM 226 CG GLU A 86 6.887 -10.467 3.821 1.00 0.00 C ATOM 227 CD GLU A 86 7.275 -11.808 3.231 1.00 0.00 C ATOM 228 OE1 GLU A 86 8.142 -11.833 2.332 1.00 0.00 O ATOM 229 OE2 GLU A 86 6.712 -12.834 3.668 1.00 0.00 O ATOM 0 H GLU A 86 7.022 -7.267 2.765 1.00 0.00 H new ATOM 0 HA GLU A 86 6.850 -9.723 1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.293 -9.050 3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.086 -10.487 2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.772 -9.833 3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.523 -10.613 4.838 1.00 0.00 H new ATOM 236 N LEU A 87 5.054 -7.031 1.312 1.00 0.00 N ATOM 237 CA LEU A 87 4.001 -6.256 0.664 1.00 0.00 C ATOM 238 C LEU A 87 3.788 -6.721 -0.772 1.00 0.00 C ATOM 239 O LEU A 87 2.653 -6.843 -1.235 1.00 0.00 O ATOM 240 CB LEU A 87 4.352 -4.767 0.684 1.00 0.00 C ATOM 241 CG LEU A 87 5.011 -4.249 1.963 1.00 0.00 C ATOM 242 CD1 LEU A 87 4.427 -4.944 3.183 1.00 0.00 C ATOM 243 CD2 LEU A 87 6.518 -4.448 1.904 1.00 0.00 C ATOM 0 H LEU A 87 5.620 -6.502 1.976 1.00 0.00 H new ATOM 0 HA LEU A 87 3.075 -6.412 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.018 -4.560 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.439 -4.197 0.513 1.00 0.00 H new ATOM 0 HG LEU A 87 4.809 -3.181 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.908 -4.563 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.356 -4.750 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.598 -6.018 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.971 -4.074 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.741 -5.509 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.924 -3.904 1.051 1.00 0.00 H new ATOM 255 N LYS A 88 4.886 -6.982 -1.474 1.00 0.00 N ATOM 256 CA LYS A 88 4.821 -7.437 -2.857 1.00 0.00 C ATOM 257 C LYS A 88 3.778 -8.538 -3.019 1.00 0.00 C ATOM 258 O LYS A 88 3.711 -9.466 -2.214 1.00 0.00 O ATOM 259 CB LYS A 88 6.190 -7.946 -3.314 1.00 0.00 C ATOM 260 CG LYS A 88 6.189 -8.517 -4.721 1.00 0.00 C ATOM 261 CD LYS A 88 7.599 -8.657 -5.267 1.00 0.00 C ATOM 262 CE LYS A 88 8.390 -9.711 -4.507 1.00 0.00 C ATOM 263 NZ LYS A 88 8.900 -9.192 -3.208 1.00 0.00 N ATOM 0 H LYS A 88 5.833 -6.886 -1.107 1.00 0.00 H new ATOM 0 HA LYS A 88 4.530 -6.590 -3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.908 -7.127 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.533 -8.713 -2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.700 -9.491 -4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.607 -7.870 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.556 -8.924 -6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.113 -7.698 -5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.758 -10.580 -4.328 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.228 -10.047 -5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.919 -9.386 -3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.738 -8.166 -3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.400 -9.661 -2.426 1.00 0.00 H new ATOM 277 N GLY A 89 2.966 -8.430 -4.067 1.00 0.00 N ATOM 278 CA GLY A 89 1.939 -9.424 -4.315 1.00 0.00 C ATOM 279 C GLY A 89 0.642 -9.110 -3.596 1.00 0.00 C ATOM 280 O GLY A 89 -0.442 -9.246 -4.164 1.00 0.00 O ATOM 0 H GLY A 89 3.002 -7.672 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.750 -9.487 -5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.300 -10.402 -3.996 1.00 0.00 H new ATOM 284 N LYS A 90 0.751 -8.690 -2.340 1.00 0.00 N ATOM 285 CA LYS A 90 -0.422 -8.356 -1.540 1.00 0.00 C ATOM 286 C LYS A 90 -1.145 -7.142 -2.114 1.00 0.00 C ATOM 287 O LYS A 90 -0.641 -6.479 -3.021 1.00 0.00 O ATOM 288 CB LYS A 90 -0.015 -8.083 -0.090 1.00 0.00 C ATOM 289 CG LYS A 90 0.262 -9.342 0.712 1.00 0.00 C ATOM 290 CD LYS A 90 1.603 -9.955 0.343 1.00 0.00 C ATOM 291 CE LYS A 90 2.015 -11.033 1.334 1.00 0.00 C ATOM 292 NZ LYS A 90 2.862 -12.078 0.696 1.00 0.00 N ATOM 0 H LYS A 90 1.640 -8.573 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.103 -9.207 -1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.876 -7.455 -0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.807 -7.517 0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.249 -9.107 1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.532 -10.068 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.546 -10.382 -0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.365 -9.176 0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.561 -10.577 2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.124 -11.496 1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.122 -12.794 1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.332 -12.531 -0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.724 -11.640 0.314 1.00 0.00 H new ATOM 306 N VAL A 91 -2.327 -6.855 -1.579 1.00 0.00 N ATOM 307 CA VAL A 91 -3.117 -5.718 -2.036 1.00 0.00 C ATOM 308 C VAL A 91 -3.320 -4.704 -0.916 1.00 0.00 C ATOM 309 O VAL A 91 -3.606 -5.069 0.223 1.00 0.00 O ATOM 310 CB VAL A 91 -4.494 -6.167 -2.562 1.00 0.00 C ATOM 311 CG1 VAL A 91 -5.276 -4.977 -3.096 1.00 0.00 C ATOM 312 CG2 VAL A 91 -4.331 -7.233 -3.636 1.00 0.00 C ATOM 0 H VAL A 91 -2.759 -7.394 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.560 -5.251 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.057 -6.599 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.246 -5.314 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.423 -4.250 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.721 -4.513 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.313 -7.539 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.750 -6.829 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.813 -8.096 -3.217 1.00 0.00 H new ATOM 322 N GLY A 92 -3.171 -3.425 -1.250 1.00 0.00 N ATOM 323 CA GLY A 92 -3.342 -2.376 -0.261 1.00 0.00 C ATOM 324 C GLY A 92 -4.389 -1.359 -0.670 1.00 0.00 C ATOM 325 O GLY A 92 -4.967 -1.453 -1.753 1.00 0.00 O ATOM 0 H GLY A 92 -2.935 -3.097 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.626 -2.822 0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.390 -1.870 -0.105 1.00 0.00 H new ATOM 329 N LYS A 93 -4.635 -0.384 0.198 1.00 0.00 N ATOM 330 CA LYS A 93 -5.620 0.656 -0.077 1.00 0.00 C ATOM 331 C LYS A 93 -4.973 2.037 -0.058 1.00 0.00 C ATOM 332 O LYS A 93 -4.229 2.372 0.864 1.00 0.00 O ATOM 333 CB LYS A 93 -6.753 0.597 0.949 1.00 0.00 C ATOM 334 CG LYS A 93 -7.970 1.418 0.559 1.00 0.00 C ATOM 335 CD LYS A 93 -8.690 1.964 1.780 1.00 0.00 C ATOM 336 CE LYS A 93 -9.470 0.876 2.501 1.00 0.00 C ATOM 337 NZ LYS A 93 -8.634 0.170 3.511 1.00 0.00 N ATOM 0 H LYS A 93 -4.166 -0.292 1.099 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.029 0.480 -1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.054 -0.442 1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.380 0.950 1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.662 2.244 -0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.655 0.801 -0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.965 2.407 2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.370 2.760 1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -10.338 1.316 2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.846 0.156 1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.250 -0.322 4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.023 -0.523 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.044 0.861 4.017 1.00 0.00 H new ATOM 351 N VAL A 94 -5.262 2.835 -1.081 1.00 0.00 N ATOM 352 CA VAL A 94 -4.710 4.181 -1.180 1.00 0.00 C ATOM 353 C VAL A 94 -5.349 5.113 -0.157 1.00 0.00 C ATOM 354 O VAL A 94 -6.419 5.674 -0.394 1.00 0.00 O ATOM 355 CB VAL A 94 -4.912 4.768 -2.589 1.00 0.00 C ATOM 356 CG1 VAL A 94 -4.019 4.059 -3.596 1.00 0.00 C ATOM 357 CG2 VAL A 94 -6.373 4.674 -3.001 1.00 0.00 C ATOM 0 H VAL A 94 -5.875 2.573 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.642 4.101 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.631 5.821 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.176 4.487 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.975 4.183 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.266 2.997 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.497 5.094 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.683 3.629 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.987 5.232 -2.294 1.00 0.00 H new ATOM 367 N VAL A 95 -4.685 5.275 0.984 1.00 0.00 N ATOM 368 CA VAL A 95 -5.187 6.142 2.044 1.00 0.00 C ATOM 369 C VAL A 95 -5.056 7.611 1.661 1.00 0.00 C ATOM 370 O VAL A 95 -5.815 8.458 2.133 1.00 0.00 O ATOM 371 CB VAL A 95 -4.439 5.899 3.368 1.00 0.00 C ATOM 372 CG1 VAL A 95 -4.829 4.554 3.963 1.00 0.00 C ATOM 373 CG2 VAL A 95 -2.935 5.979 3.153 1.00 0.00 C ATOM 0 H VAL A 95 -3.799 4.817 1.198 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.241 5.898 2.180 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.724 6.679 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.290 4.400 4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.902 4.539 4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.575 3.759 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.422 5.805 4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.630 5.222 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.674 6.967 2.775 1.00 0.00 H new ATOM 383 N LYS A 96 -4.088 7.909 0.801 1.00 0.00 N ATOM 384 CA LYS A 96 -3.857 9.277 0.352 1.00 0.00 C ATOM 385 C LYS A 96 -2.987 9.298 -0.901 1.00 0.00 C ATOM 386 O LYS A 96 -2.310 8.318 -1.215 1.00 0.00 O ATOM 387 CB LYS A 96 -3.192 10.094 1.461 1.00 0.00 C ATOM 388 CG LYS A 96 -3.550 11.570 1.427 1.00 0.00 C ATOM 389 CD LYS A 96 -3.061 12.291 2.672 1.00 0.00 C ATOM 390 CE LYS A 96 -1.578 12.616 2.582 1.00 0.00 C ATOM 391 NZ LYS A 96 -1.324 13.818 1.740 1.00 0.00 N ATOM 0 H LYS A 96 -3.450 7.221 0.401 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.822 9.722 0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.480 9.681 2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.110 9.989 1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.111 12.031 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.631 11.681 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.629 13.212 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.246 11.671 3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.181 12.784 3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.044 11.762 2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.302 14.007 1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.679 13.649 0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.813 14.639 2.150 1.00 0.00 H new ATOM 405 N ILE A 97 -3.008 10.421 -1.612 1.00 0.00 N ATOM 406 CA ILE A 97 -2.219 10.569 -2.828 1.00 0.00 C ATOM 407 C ILE A 97 -1.553 11.939 -2.888 1.00 0.00 C ATOM 408 O ILE A 97 -2.190 12.962 -2.638 1.00 0.00 O ATOM 409 CB ILE A 97 -3.085 10.377 -4.088 1.00 0.00 C ATOM 410 CG1 ILE A 97 -3.703 8.978 -4.100 1.00 0.00 C ATOM 411 CG2 ILE A 97 -2.254 10.606 -5.341 1.00 0.00 C ATOM 412 CD1 ILE A 97 -4.929 8.866 -4.979 1.00 0.00 C ATOM 0 H ILE A 97 -3.563 11.241 -1.366 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.452 9.795 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.892 11.110 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.955 8.262 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.970 8.699 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.879 10.467 -6.223 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.857 11.621 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.429 9.894 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.314 7.847 -4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.694 9.557 -4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.664 9.113 -6.007 1.00 0.00 H new ATOM 424 N ALA A 98 -0.267 11.952 -3.221 1.00 0.00 N ATOM 425 CA ALA A 98 0.486 13.196 -3.317 1.00 0.00 C ATOM 426 C ALA A 98 1.462 13.159 -4.488 1.00 0.00 C ATOM 427 O ALA A 98 2.110 12.142 -4.735 1.00 0.00 O ATOM 428 CB ALA A 98 1.228 13.466 -2.017 1.00 0.00 C ATOM 0 H ALA A 98 0.276 11.114 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.221 14.006 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.786 14.398 -2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.512 13.546 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.919 12.647 -1.815 1.00 0.00 H new ATOM 434 N GLU A 99 1.562 14.273 -5.206 1.00 0.00 N ATOM 435 CA GLU A 99 2.459 14.365 -6.352 1.00 0.00 C ATOM 436 C GLU A 99 3.856 13.868 -5.991 1.00 0.00 C ATOM 437 O GLU A 99 4.428 13.032 -6.690 1.00 0.00 O ATOM 438 CB GLU A 99 2.533 15.808 -6.855 1.00 0.00 C ATOM 439 CG GLU A 99 2.850 15.921 -8.336 1.00 0.00 C ATOM 440 CD GLU A 99 4.041 15.075 -8.744 1.00 0.00 C ATOM 441 OE1 GLU A 99 5.012 15.000 -7.962 1.00 0.00 O ATOM 442 OE2 GLU A 99 4.001 14.488 -9.846 1.00 0.00 O ATOM 0 H GLU A 99 1.033 15.124 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 99 2.061 13.732 -7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.582 16.302 -6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.294 16.343 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 99 1.978 15.617 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.048 16.964 -8.583 1.00 0.00 H new ATOM 449 N ASP A 100 4.398 14.389 -4.896 1.00 0.00 N ATOM 450 CA ASP A 100 5.727 13.999 -4.440 1.00 0.00 C ATOM 451 C ASP A 100 5.783 12.503 -4.149 1.00 0.00 C ATOM 452 O ASP A 100 6.785 11.842 -4.427 1.00 0.00 O ATOM 453 CB ASP A 100 6.114 14.790 -3.190 1.00 0.00 C ATOM 454 CG ASP A 100 7.529 14.495 -2.733 1.00 0.00 C ATOM 455 OD1 ASP A 100 7.971 13.336 -2.883 1.00 0.00 O ATOM 456 OD2 ASP A 100 8.194 15.422 -2.225 1.00 0.00 O ATOM 0 H ASP A 100 3.937 15.083 -4.307 1.00 0.00 H new ATOM 0 HA ASP A 100 6.438 14.223 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.016 15.856 -3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.419 14.554 -2.385 1.00 0.00 H new ATOM 461 N HIS A 101 4.702 11.973 -3.585 1.00 0.00 N ATOM 462 CA HIS A 101 4.629 10.555 -3.254 1.00 0.00 C ATOM 463 C HIS A 101 3.197 10.148 -2.920 1.00 0.00 C ATOM 464 O HIS A 101 2.348 10.997 -2.646 1.00 0.00 O ATOM 465 CB HIS A 101 5.551 10.235 -2.077 1.00 0.00 C ATOM 466 CG HIS A 101 5.099 10.837 -0.782 1.00 0.00 C ATOM 467 ND1 HIS A 101 5.367 12.142 -0.426 1.00 0.00 N ATOM 468 CD2 HIS A 101 4.393 10.306 0.243 1.00 0.00 C ATOM 469 CE1 HIS A 101 4.846 12.387 0.763 1.00 0.00 C ATOM 470 NE2 HIS A 101 4.250 11.289 1.191 1.00 0.00 N ATOM 0 H HIS A 101 3.865 12.505 -3.348 1.00 0.00 H new ATOM 0 HA HIS A 101 4.956 9.987 -4.125 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.618 9.153 -1.962 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.555 10.594 -2.304 1.00 0.00 H new ATOM 0 HD1 HIS A 101 5.886 12.813 -0.992 1.00 0.00 H new ATOM 0 HD2 HIS A 101 4.013 9.297 0.304 1.00 0.00 H new ATOM 0 HE1 HIS A 101 4.899 13.326 1.295 1.00 0.00 H new ATOM 479 N TYR A 102 2.936 8.846 -2.945 1.00 0.00 N ATOM 480 CA TYR A 102 1.606 8.327 -2.647 1.00 0.00 C ATOM 481 C TYR A 102 1.615 7.512 -1.358 1.00 0.00 C ATOM 482 O TYR A 102 2.597 6.839 -1.041 1.00 0.00 O ATOM 483 CB TYR A 102 1.101 7.465 -3.805 1.00 0.00 C ATOM 484 CG TYR A 102 1.056 8.194 -5.129 1.00 0.00 C ATOM 485 CD1 TYR A 102 2.209 8.732 -5.688 1.00 0.00 C ATOM 486 CD2 TYR A 102 -0.139 8.345 -5.821 1.00 0.00 C ATOM 487 CE1 TYR A 102 2.172 9.400 -6.896 1.00 0.00 C ATOM 488 CE2 TYR A 102 -0.185 9.010 -7.031 1.00 0.00 C ATOM 489 CZ TYR A 102 0.973 9.536 -7.564 1.00 0.00 C ATOM 490 OH TYR A 102 0.932 10.199 -8.769 1.00 0.00 O ATOM 0 H TYR A 102 3.628 8.130 -3.169 1.00 0.00 H new ATOM 0 HA TYR A 102 0.934 9.175 -2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.744 6.591 -3.903 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.102 7.101 -3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.150 8.626 -5.169 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.048 7.935 -5.406 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.077 9.814 -7.315 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.122 9.117 -7.556 1.00 0.00 H new ATOM 0 HH TYR A 102 0.909 9.547 -9.500 1.00 0.00 H new ATOM 500 N LEU A 103 0.514 7.578 -0.617 1.00 0.00 N ATOM 501 CA LEU A 103 0.393 6.845 0.639 1.00 0.00 C ATOM 502 C LEU A 103 -0.472 5.601 0.463 1.00 0.00 C ATOM 503 O LEU A 103 -1.693 5.694 0.332 1.00 0.00 O ATOM 504 CB LEU A 103 -0.205 7.746 1.722 1.00 0.00 C ATOM 505 CG LEU A 103 0.795 8.562 2.542 1.00 0.00 C ATOM 506 CD1 LEU A 103 1.812 7.648 3.208 1.00 0.00 C ATOM 507 CD2 LEU A 103 1.493 9.590 1.664 1.00 0.00 C ATOM 0 H LEU A 103 -0.307 8.131 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 103 1.391 6.531 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.904 8.435 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.784 7.124 2.405 1.00 0.00 H new ATOM 0 HG LEU A 103 0.248 9.092 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.515 8.247 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.297 6.952 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.354 7.089 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.201 10.161 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.026 9.081 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.753 10.266 1.236 1.00 0.00 H new ATOM 519 N VAL A 104 0.169 4.437 0.463 1.00 0.00 N ATOM 520 CA VAL A 104 -0.542 3.173 0.306 1.00 0.00 C ATOM 521 C VAL A 104 -0.435 2.323 1.567 1.00 0.00 C ATOM 522 O VAL A 104 0.663 1.982 2.005 1.00 0.00 O ATOM 523 CB VAL A 104 0.000 2.369 -0.891 1.00 0.00 C ATOM 524 CG1 VAL A 104 -1.047 1.386 -1.392 1.00 0.00 C ATOM 525 CG2 VAL A 104 0.441 3.305 -2.005 1.00 0.00 C ATOM 0 H VAL A 104 1.179 4.342 0.570 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.588 3.418 0.124 1.00 0.00 H new ATOM 0 HB VAL A 104 0.869 1.800 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.646 0.827 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.309 0.694 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.937 1.931 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.821 2.720 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.408 3.903 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.227 3.964 -1.637 1.00 0.00 H new ATOM 535 N GLU A 105 -1.583 1.982 2.144 1.00 0.00 N ATOM 536 CA GLU A 105 -1.617 1.170 3.355 1.00 0.00 C ATOM 537 C GLU A 105 -1.624 -0.317 3.013 1.00 0.00 C ATOM 538 O GLU A 105 -2.610 -0.843 2.498 1.00 0.00 O ATOM 539 CB GLU A 105 -2.849 1.518 4.193 1.00 0.00 C ATOM 540 CG GLU A 105 -3.139 0.512 5.294 1.00 0.00 C ATOM 541 CD GLU A 105 -4.517 0.693 5.902 1.00 0.00 C ATOM 542 OE1 GLU A 105 -4.655 1.527 6.820 1.00 0.00 O ATOM 543 OE2 GLU A 105 -5.456 0.000 5.458 1.00 0.00 O ATOM 0 H GLU A 105 -2.501 2.255 1.793 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.719 1.387 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -2.708 2.502 4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.717 1.587 3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -3.054 -0.497 4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.386 0.608 6.076 1.00 0.00 H new ATOM 550 N VAL A 106 -0.514 -0.989 3.303 1.00 0.00 N ATOM 551 CA VAL A 106 -0.391 -2.416 3.028 1.00 0.00 C ATOM 552 C VAL A 106 -0.250 -3.215 4.319 1.00 0.00 C ATOM 553 O VAL A 106 0.495 -2.830 5.219 1.00 0.00 O ATOM 554 CB VAL A 106 0.818 -2.710 2.120 1.00 0.00 C ATOM 555 CG1 VAL A 106 0.927 -4.201 1.843 1.00 0.00 C ATOM 556 CG2 VAL A 106 0.713 -1.924 0.822 1.00 0.00 C ATOM 0 H VAL A 106 0.312 -0.568 3.728 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.304 -2.719 2.515 1.00 0.00 H new ATOM 0 HB VAL A 106 1.724 -2.394 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.787 -4.390 1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.052 -4.738 2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.020 -4.546 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.575 -2.144 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.200 -2.207 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.688 -0.857 1.044 1.00 0.00 H new ATOM 566 N GLU A 107 -0.970 -4.329 4.400 1.00 0.00 N ATOM 567 CA GLU A 107 -0.925 -5.182 5.582 1.00 0.00 C ATOM 568 C GLU A 107 -1.001 -4.349 6.858 1.00 0.00 C ATOM 569 O GLU A 107 -0.360 -4.665 7.859 1.00 0.00 O ATOM 570 CB GLU A 107 0.355 -6.021 5.584 1.00 0.00 C ATOM 571 CG GLU A 107 0.250 -7.294 4.762 1.00 0.00 C ATOM 572 CD GLU A 107 -0.402 -7.064 3.412 1.00 0.00 C ATOM 573 OE1 GLU A 107 -1.648 -7.000 3.358 1.00 0.00 O ATOM 574 OE2 GLU A 107 0.334 -6.948 2.410 1.00 0.00 O ATOM 0 H GLU A 107 -1.591 -4.662 3.662 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.788 -5.847 5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.176 -5.417 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.607 -6.282 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.247 -7.710 4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.325 -8.035 5.318 1.00 0.00 H new ATOM 581 N GLY A 108 -1.791 -3.280 6.813 1.00 0.00 N ATOM 582 CA GLY A 108 -1.938 -2.416 7.971 1.00 0.00 C ATOM 583 C GLY A 108 -0.692 -1.598 8.245 1.00 0.00 C ATOM 584 O GLY A 108 -0.361 -1.326 9.399 1.00 0.00 O ATOM 0 H GLY A 108 -2.332 -2.997 5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -2.783 -1.745 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.170 -3.023 8.846 1.00 0.00 H new ATOM 588 N ASP A 109 0.002 -1.206 7.182 1.00 0.00 N ATOM 589 CA ASP A 109 1.220 -0.414 7.314 1.00 0.00 C ATOM 590 C ASP A 109 1.356 0.570 6.156 1.00 0.00 C ATOM 591 O ASP A 109 1.362 0.176 4.989 1.00 0.00 O ATOM 592 CB ASP A 109 2.445 -1.328 7.369 1.00 0.00 C ATOM 593 CG ASP A 109 2.628 -1.969 8.731 1.00 0.00 C ATOM 594 OD1 ASP A 109 2.598 -1.234 9.741 1.00 0.00 O ATOM 595 OD2 ASP A 109 2.801 -3.204 8.787 1.00 0.00 O ATOM 0 H ASP A 109 -0.258 -1.423 6.220 1.00 0.00 H new ATOM 0 HA ASP A 109 1.157 0.152 8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.347 -2.108 6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.336 -0.752 7.119 1.00 0.00 H new ATOM 600 N LYS A 110 1.464 1.852 6.485 1.00 0.00 N ATOM 601 CA LYS A 110 1.600 2.894 5.474 1.00 0.00 C ATOM 602 C LYS A 110 2.883 2.708 4.670 1.00 0.00 C ATOM 603 O LYS A 110 3.923 2.345 5.219 1.00 0.00 O ATOM 604 CB LYS A 110 1.594 4.276 6.132 1.00 0.00 C ATOM 605 CG LYS A 110 0.220 4.717 6.607 1.00 0.00 C ATOM 606 CD LYS A 110 0.094 6.231 6.617 1.00 0.00 C ATOM 607 CE LYS A 110 -1.201 6.678 7.279 1.00 0.00 C ATOM 608 NZ LYS A 110 -1.606 8.042 6.839 1.00 0.00 N ATOM 0 H LYS A 110 1.460 2.195 7.445 1.00 0.00 H new ATOM 0 HA LYS A 110 0.751 2.818 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 110 2.278 4.268 6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.976 5.009 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.545 4.291 5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.038 4.329 7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.943 6.664 7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.130 6.607 5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.994 5.969 7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.078 6.667 8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.492 8.310 7.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.861 8.723 7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.748 8.046 5.809 1.00 0.00 H new ATOM 622 N TRP A 111 2.801 2.959 3.369 1.00 0.00 N ATOM 623 CA TRP A 111 3.957 2.820 2.490 1.00 0.00 C ATOM 624 C TRP A 111 4.070 4.013 1.547 1.00 0.00 C ATOM 625 O TRP A 111 3.078 4.682 1.256 1.00 0.00 O ATOM 626 CB TRP A 111 3.857 1.525 1.683 1.00 0.00 C ATOM 627 CG TRP A 111 4.139 0.296 2.493 1.00 0.00 C ATOM 628 CD1 TRP A 111 3.221 -0.539 3.063 1.00 0.00 C ATOM 629 CD2 TRP A 111 5.427 -0.233 2.827 1.00 0.00 C ATOM 630 NE1 TRP A 111 3.860 -1.556 3.730 1.00 0.00 N ATOM 631 CE2 TRP A 111 5.214 -1.392 3.600 1.00 0.00 C ATOM 632 CE3 TRP A 111 6.739 0.157 2.546 1.00 0.00 C ATOM 633 CZ2 TRP A 111 6.265 -2.160 4.094 1.00 0.00 C ATOM 634 CZ3 TRP A 111 7.781 -0.606 3.038 1.00 0.00 C ATOM 635 CH2 TRP A 111 7.539 -1.754 3.804 1.00 0.00 C ATOM 0 H TRP A 111 1.947 3.260 2.899 1.00 0.00 H new ATOM 0 HA TRP A 111 4.852 2.785 3.111 1.00 0.00 H new ATOM 0 HB2 TRP A 111 2.857 1.448 1.256 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.557 1.570 0.849 1.00 0.00 H new ATOM 0 HD1 TRP A 111 2.150 -0.418 2.999 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.401 -2.311 4.239 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.935 1.039 1.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 6.081 -3.045 4.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.799 -0.312 2.829 1.00 0.00 H new ATOM 0 HH2 TRP A 111 8.375 -2.330 4.173 1.00 0.00 H new ATOM 646 N ILE A 112 5.284 4.274 1.074 1.00 0.00 N ATOM 647 CA ILE A 112 5.525 5.386 0.163 1.00 0.00 C ATOM 648 C ILE A 112 5.735 4.893 -1.265 1.00 0.00 C ATOM 649 O ILE A 112 6.851 4.556 -1.658 1.00 0.00 O ATOM 650 CB ILE A 112 6.753 6.211 0.594 1.00 0.00 C ATOM 651 CG1 ILE A 112 6.531 6.807 1.986 1.00 0.00 C ATOM 652 CG2 ILE A 112 7.035 7.309 -0.420 1.00 0.00 C ATOM 653 CD1 ILE A 112 6.960 5.891 3.111 1.00 0.00 C ATOM 0 H ILE A 112 6.115 3.731 1.306 1.00 0.00 H new ATOM 0 HA ILE A 112 4.639 6.020 0.199 1.00 0.00 H new ATOM 0 HB ILE A 112 7.620 5.551 0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.081 7.745 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.474 7.046 2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.905 7.883 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.231 6.862 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.171 7.969 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.774 6.378 4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.392 4.962 3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.024 5.672 3.016 1.00 0.00 H new ATOM 665 N ALA A 113 4.653 4.854 -2.036 1.00 0.00 N ATOM 666 CA ALA A 113 4.718 4.405 -3.421 1.00 0.00 C ATOM 667 C ALA A 113 4.489 5.564 -4.385 1.00 0.00 C ATOM 668 O ALA A 113 4.076 6.650 -3.978 1.00 0.00 O ATOM 669 CB ALA A 113 3.700 3.302 -3.667 1.00 0.00 C ATOM 0 H ALA A 113 3.721 5.128 -1.725 1.00 0.00 H new ATOM 0 HA ALA A 113 5.717 4.008 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.760 2.977 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.911 2.459 -3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.698 3.679 -3.462 1.00 0.00 H new ATOM 675 N TYR A 114 4.760 5.327 -5.664 1.00 0.00 N ATOM 676 CA TYR A 114 4.585 6.352 -6.685 1.00 0.00 C ATOM 677 C TYR A 114 3.817 5.803 -7.883 1.00 0.00 C ATOM 678 O TYR A 114 4.140 4.737 -8.407 1.00 0.00 O ATOM 679 CB TYR A 114 5.945 6.886 -7.139 1.00 0.00 C ATOM 680 CG TYR A 114 6.981 5.805 -7.349 1.00 0.00 C ATOM 681 CD1 TYR A 114 7.577 5.167 -6.268 1.00 0.00 C ATOM 682 CD2 TYR A 114 7.364 5.422 -8.628 1.00 0.00 C ATOM 683 CE1 TYR A 114 8.524 4.179 -6.455 1.00 0.00 C ATOM 684 CE2 TYR A 114 8.309 4.434 -8.825 1.00 0.00 C ATOM 685 CZ TYR A 114 8.887 3.816 -7.735 1.00 0.00 C ATOM 686 OH TYR A 114 9.829 2.832 -7.927 1.00 0.00 O ATOM 0 H TYR A 114 5.102 4.433 -6.018 1.00 0.00 H new ATOM 0 HA TYR A 114 4.008 7.168 -6.249 1.00 0.00 H new ATOM 0 HB2 TYR A 114 5.816 7.440 -8.069 1.00 0.00 H new ATOM 0 HB3 TYR A 114 6.315 7.593 -6.396 1.00 0.00 H new ATOM 0 HD1 TYR A 114 7.295 5.449 -5.264 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.915 5.905 -9.483 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.978 3.693 -5.604 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.594 4.147 -9.826 1.00 0.00 H new ATOM 0 HH TYR A 114 9.969 2.696 -8.887 1.00 0.00 H new ATOM 696 N SER A 115 2.797 6.540 -8.312 1.00 0.00 N ATOM 697 CA SER A 115 1.979 6.127 -9.447 1.00 0.00 C ATOM 698 C SER A 115 2.002 7.184 -10.547 1.00 0.00 C ATOM 699 O SER A 115 1.909 8.381 -10.275 1.00 0.00 O ATOM 700 CB SER A 115 0.539 5.873 -8.998 1.00 0.00 C ATOM 701 OG SER A 115 -0.187 7.086 -8.903 1.00 0.00 O ATOM 0 H SER A 115 2.517 7.426 -7.891 1.00 0.00 H new ATOM 0 HA SER A 115 2.396 5.203 -9.847 1.00 0.00 H new ATOM 0 HB2 SER A 115 0.047 5.205 -9.705 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.540 5.369 -8.031 1.00 0.00 H new ATOM 0 HG SER A 115 0.249 7.678 -8.255 1.00 0.00 H new ATOM 707 N ASP A 116 2.128 6.732 -11.790 1.00 0.00 N ATOM 708 CA ASP A 116 2.162 7.638 -12.932 1.00 0.00 C ATOM 709 C ASP A 116 0.757 8.107 -13.296 1.00 0.00 C ATOM 710 O ASP A 116 0.588 9.072 -14.040 1.00 0.00 O ATOM 711 CB ASP A 116 2.811 6.951 -14.135 1.00 0.00 C ATOM 712 CG ASP A 116 4.275 6.634 -13.900 1.00 0.00 C ATOM 713 OD1 ASP A 116 4.594 6.051 -12.842 1.00 0.00 O ATOM 714 OD2 ASP A 116 5.102 6.969 -14.773 1.00 0.00 O ATOM 0 H ASP A 116 2.208 5.744 -12.032 1.00 0.00 H new ATOM 0 HA ASP A 116 2.756 8.509 -12.656 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.274 6.029 -14.357 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.717 7.593 -15.011 1.00 0.00 H new ATOM 719 N GLU A 117 -0.248 7.415 -12.767 1.00 0.00 N ATOM 720 CA GLU A 117 -1.638 7.761 -13.039 1.00 0.00 C ATOM 721 C GLU A 117 -2.353 8.186 -11.759 1.00 0.00 C ATOM 722 O GLU A 117 -2.594 7.371 -10.868 1.00 0.00 O ATOM 723 CB GLU A 117 -2.367 6.575 -13.673 1.00 0.00 C ATOM 724 CG GLU A 117 -2.451 5.357 -12.767 1.00 0.00 C ATOM 725 CD GLU A 117 -2.598 4.062 -13.543 1.00 0.00 C ATOM 726 OE1 GLU A 117 -1.563 3.455 -13.887 1.00 0.00 O ATOM 727 OE2 GLU A 117 -3.750 3.656 -13.805 1.00 0.00 O ATOM 0 H GLU A 117 -0.125 6.613 -12.149 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.648 8.599 -13.736 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -3.376 6.884 -13.947 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -1.857 6.297 -14.595 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.555 5.306 -12.149 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.299 5.469 -12.091 1.00 0.00 H new ATOM 734 N LYS A 118 -2.690 9.469 -11.675 1.00 0.00 N ATOM 735 CA LYS A 118 -3.377 10.005 -10.506 1.00 0.00 C ATOM 736 C LYS A 118 -4.441 9.032 -10.007 1.00 0.00 C ATOM 737 O LYS A 118 -5.500 8.887 -10.619 1.00 0.00 O ATOM 738 CB LYS A 118 -4.020 11.353 -10.841 1.00 0.00 C ATOM 739 CG LYS A 118 -3.027 12.500 -10.906 1.00 0.00 C ATOM 740 CD LYS A 118 -3.724 13.847 -10.806 1.00 0.00 C ATOM 741 CE LYS A 118 -2.828 14.892 -10.160 1.00 0.00 C ATOM 742 NZ LYS A 118 -3.347 16.272 -10.367 1.00 0.00 N ATOM 0 H LYS A 118 -2.498 10.157 -12.403 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.640 10.147 -9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -4.534 11.273 -11.799 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -4.778 11.581 -10.091 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.304 12.403 -10.096 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.469 12.447 -11.841 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -4.016 14.182 -11.802 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.640 13.742 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -2.747 14.691 -9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -1.823 14.816 -10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.708 16.955 -9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -3.400 16.474 -11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.296 16.353 -9.948 1.00 0.00 H new ATOM 756 N LEU A 119 -4.154 8.370 -8.892 1.00 0.00 N ATOM 757 CA LEU A 119 -5.087 7.412 -8.310 1.00 0.00 C ATOM 758 C LEU A 119 -6.248 8.128 -7.627 1.00 0.00 C ATOM 759 O LEU A 119 -6.342 9.355 -7.666 1.00 0.00 O ATOM 760 CB LEU A 119 -4.366 6.514 -7.303 1.00 0.00 C ATOM 761 CG LEU A 119 -3.136 5.771 -7.828 1.00 0.00 C ATOM 762 CD1 LEU A 119 -2.495 4.951 -6.719 1.00 0.00 C ATOM 763 CD2 LEU A 119 -3.513 4.880 -9.003 1.00 0.00 C ATOM 0 H LEU A 119 -3.283 8.479 -8.373 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.486 6.797 -9.116 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.061 7.126 -6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.077 5.779 -6.927 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.410 6.507 -8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.622 4.429 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -2.189 5.612 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -3.214 4.223 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.626 4.359 -9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -4.257 4.151 -8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -3.926 5.491 -9.805 1.00 0.00 H new ATOM 775 N SER A 120 -7.130 7.354 -7.002 1.00 0.00 N ATOM 776 CA SER A 120 -8.286 7.915 -6.312 1.00 0.00 C ATOM 777 C SER A 120 -8.364 7.402 -4.878 1.00 0.00 C ATOM 778 O SER A 120 -8.105 6.227 -4.611 1.00 0.00 O ATOM 779 CB SER A 120 -9.573 7.565 -7.062 1.00 0.00 C ATOM 780 OG SER A 120 -9.331 7.423 -8.451 1.00 0.00 O ATOM 0 H SER A 120 -7.066 6.337 -6.959 1.00 0.00 H new ATOM 0 HA SER A 120 -8.172 8.999 -6.286 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.988 6.639 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.317 8.344 -6.897 1.00 0.00 H new ATOM 0 HG SER A 120 -10.168 7.198 -8.908 1.00 0.00 H new ATOM 786 N LEU A 121 -8.722 8.290 -3.957 1.00 0.00 N ATOM 787 CA LEU A 121 -8.836 7.928 -2.548 1.00 0.00 C ATOM 788 C LEU A 121 -9.802 6.763 -2.361 1.00 0.00 C ATOM 789 O LEU A 121 -10.981 6.861 -2.696 1.00 0.00 O ATOM 790 CB LEU A 121 -9.305 9.131 -1.729 1.00 0.00 C ATOM 791 CG LEU A 121 -8.248 10.195 -1.432 1.00 0.00 C ATOM 792 CD1 LEU A 121 -7.055 9.578 -0.719 1.00 0.00 C ATOM 793 CD2 LEU A 121 -7.807 10.882 -2.716 1.00 0.00 C ATOM 0 H LEU A 121 -8.938 9.266 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 121 -7.852 7.619 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -10.131 9.606 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -9.702 8.767 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 121 -8.690 10.945 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.313 10.350 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.383 9.134 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -6.613 8.807 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -7.055 11.636 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -7.384 10.144 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -8.666 11.359 -3.187 1.00 0.00 H new ATOM 805 N GLY A 122 -9.292 5.659 -1.822 1.00 0.00 N ATOM 806 CA GLY A 122 -10.124 4.491 -1.597 1.00 0.00 C ATOM 807 C GLY A 122 -9.991 3.464 -2.703 1.00 0.00 C ATOM 808 O GLY A 122 -10.711 2.465 -2.722 1.00 0.00 O ATOM 0 H GLY A 122 -8.318 5.553 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -9.853 4.033 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -11.166 4.801 -1.516 1.00 0.00 H new ATOM 812 N ASP A 123 -9.071 3.709 -3.629 1.00 0.00 N ATOM 813 CA ASP A 123 -8.847 2.797 -4.745 1.00 0.00 C ATOM 814 C ASP A 123 -7.992 1.610 -4.313 1.00 0.00 C ATOM 815 O ASP A 123 -7.048 1.761 -3.537 1.00 0.00 O ATOM 816 CB ASP A 123 -8.172 3.532 -5.904 1.00 0.00 C ATOM 817 CG ASP A 123 -8.439 2.871 -7.242 1.00 0.00 C ATOM 818 OD1 ASP A 123 -8.522 1.626 -7.283 1.00 0.00 O ATOM 819 OD2 ASP A 123 -8.567 3.600 -8.248 1.00 0.00 O ATOM 0 H ASP A 123 -8.468 4.532 -3.629 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.816 2.423 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.527 4.562 -5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.097 3.571 -5.729 1.00 0.00 H new ATOM 824 N ARG A 124 -8.330 0.428 -4.819 1.00 0.00 N ATOM 825 CA ARG A 124 -7.595 -0.785 -4.484 1.00 0.00 C ATOM 826 C ARG A 124 -6.448 -1.014 -5.463 1.00 0.00 C ATOM 827 O ARG A 124 -6.633 -0.952 -6.679 1.00 0.00 O ATOM 828 CB ARG A 124 -8.534 -1.993 -4.490 1.00 0.00 C ATOM 829 CG ARG A 124 -8.119 -3.092 -3.525 1.00 0.00 C ATOM 830 CD ARG A 124 -9.322 -3.872 -3.018 1.00 0.00 C ATOM 831 NE ARG A 124 -9.633 -5.014 -3.873 1.00 0.00 N ATOM 832 CZ ARG A 124 -9.048 -6.201 -3.756 1.00 0.00 C ATOM 833 NH1 ARG A 124 -8.127 -6.401 -2.823 1.00 0.00 N ATOM 834 NH2 ARG A 124 -9.385 -7.192 -4.572 1.00 0.00 N ATOM 0 H ARG A 124 -9.108 0.285 -5.463 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.177 -0.663 -3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.541 -1.661 -4.238 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.577 -2.404 -5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.427 -3.772 -4.022 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.586 -2.654 -2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.127 -4.221 -2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.187 -3.211 -2.967 1.00 0.00 H new ATOM 0 HE ARG A 124 -10.338 -4.894 -4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -7.866 -5.642 -2.193 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -7.679 -7.313 -2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -10.094 -7.043 -5.290 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -8.935 -8.103 -4.481 1.00 0.00 H new ATOM 848 N VAL A 125 -5.261 -1.278 -4.925 1.00 0.00 N ATOM 849 CA VAL A 125 -4.083 -1.517 -5.751 1.00 0.00 C ATOM 850 C VAL A 125 -3.233 -2.647 -5.181 1.00 0.00 C ATOM 851 O VAL A 125 -3.208 -2.869 -3.971 1.00 0.00 O ATOM 852 CB VAL A 125 -3.218 -0.249 -5.874 1.00 0.00 C ATOM 853 CG1 VAL A 125 -4.030 0.898 -6.456 1.00 0.00 C ATOM 854 CG2 VAL A 125 -2.637 0.132 -4.520 1.00 0.00 C ATOM 0 H VAL A 125 -5.090 -1.332 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 125 -4.441 -1.800 -6.741 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.392 -0.458 -6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.402 1.785 -6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.393 0.621 -7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -4.878 1.111 -5.805 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -2.028 1.030 -4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.448 0.323 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -2.018 -0.684 -4.147 1.00 0.00 H new ATOM 864 N MET A 126 -2.536 -3.357 -6.062 1.00 0.00 N ATOM 865 CA MET A 126 -1.682 -4.464 -5.646 1.00 0.00 C ATOM 866 C MET A 126 -0.211 -4.134 -5.883 1.00 0.00 C ATOM 867 O MET A 126 0.153 -3.585 -6.923 1.00 0.00 O ATOM 868 CB MET A 126 -2.058 -5.739 -6.403 1.00 0.00 C ATOM 869 CG MET A 126 -1.171 -6.927 -6.070 1.00 0.00 C ATOM 870 SD MET A 126 -1.499 -8.355 -7.121 1.00 0.00 S ATOM 871 CE MET A 126 -2.892 -9.090 -6.268 1.00 0.00 C ATOM 0 H MET A 126 -2.546 -3.186 -7.068 1.00 0.00 H new ATOM 0 HA MET A 126 -1.833 -4.626 -4.579 1.00 0.00 H new ATOM 0 HB2 MET A 126 -3.093 -5.994 -6.177 1.00 0.00 H new ATOM 0 HB3 MET A 126 -2.004 -5.545 -7.474 1.00 0.00 H new ATOM 0 HG2 MET A 126 -0.126 -6.636 -6.175 1.00 0.00 H new ATOM 0 HG3 MET A 126 -1.321 -7.206 -5.027 1.00 0.00 H new ATOM 0 HE1 MET A 126 -2.978 -10.140 -6.549 1.00 0.00 H new ATOM 0 HE2 MET A 126 -2.741 -9.014 -5.191 1.00 0.00 H new ATOM 0 HE3 MET A 126 -3.806 -8.564 -6.544 1.00 0.00 H new ATOM 881 N VAL A 127 0.630 -4.472 -4.911 1.00 0.00 N ATOM 882 CA VAL A 127 2.061 -4.212 -5.014 1.00 0.00 C ATOM 883 C VAL A 127 2.670 -4.951 -6.200 1.00 0.00 C ATOM 884 O VAL A 127 2.613 -6.178 -6.277 1.00 0.00 O ATOM 885 CB VAL A 127 2.801 -4.629 -3.729 1.00 0.00 C ATOM 886 CG1 VAL A 127 4.270 -4.240 -3.808 1.00 0.00 C ATOM 887 CG2 VAL A 127 2.141 -4.005 -2.508 1.00 0.00 C ATOM 0 H VAL A 127 0.345 -4.926 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 127 2.178 -3.138 -5.160 1.00 0.00 H new ATOM 0 HB VAL A 127 2.742 -5.713 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.776 -4.543 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.733 -4.738 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.354 -3.160 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.677 -4.310 -1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 127 2.168 -2.919 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.105 -4.338 -2.444 1.00 0.00 H new ATOM 897 N VAL A 128 3.253 -4.195 -7.126 1.00 0.00 N ATOM 898 CA VAL A 128 3.874 -4.778 -8.309 1.00 0.00 C ATOM 899 C VAL A 128 5.330 -5.144 -8.041 1.00 0.00 C ATOM 900 O VAL A 128 5.833 -6.144 -8.554 1.00 0.00 O ATOM 901 CB VAL A 128 3.812 -3.814 -9.508 1.00 0.00 C ATOM 902 CG1 VAL A 128 4.739 -2.628 -9.289 1.00 0.00 C ATOM 903 CG2 VAL A 128 4.161 -4.543 -10.796 1.00 0.00 C ATOM 0 H VAL A 128 3.308 -3.178 -7.079 1.00 0.00 H new ATOM 0 HA VAL A 128 3.313 -5.681 -8.549 1.00 0.00 H new ATOM 0 HB VAL A 128 2.793 -3.436 -9.596 1.00 0.00 H new ATOM 0 HG11 VAL A 128 4.681 -1.958 -10.147 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.438 -2.092 -8.389 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.763 -2.983 -9.174 1.00 0.00 H new ATOM 0 HG21 VAL A 128 4.112 -3.846 -11.633 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.169 -4.951 -10.722 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.452 -5.355 -10.958 1.00 0.00 H new ATOM 913 N ASP A 129 6.000 -4.330 -7.234 1.00 0.00 N ATOM 914 CA ASP A 129 7.398 -4.569 -6.895 1.00 0.00 C ATOM 915 C ASP A 129 7.890 -3.556 -5.866 1.00 0.00 C ATOM 916 O ASP A 129 7.467 -2.400 -5.868 1.00 0.00 O ATOM 917 CB ASP A 129 8.268 -4.502 -8.152 1.00 0.00 C ATOM 918 CG ASP A 129 8.359 -5.836 -8.865 1.00 0.00 C ATOM 919 OD1 ASP A 129 8.874 -6.799 -8.259 1.00 0.00 O ATOM 920 OD2 ASP A 129 7.916 -5.918 -10.030 1.00 0.00 O ATOM 0 H ASP A 129 5.598 -3.498 -6.802 1.00 0.00 H new ATOM 0 HA ASP A 129 7.475 -5.566 -6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.859 -3.756 -8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 129 9.270 -4.170 -7.880 1.00 0.00 H new ATOM 925 N VAL A 130 8.784 -3.998 -4.988 1.00 0.00 N ATOM 926 CA VAL A 130 9.333 -3.130 -3.953 1.00 0.00 C ATOM 927 C VAL A 130 10.841 -2.972 -4.111 1.00 0.00 C ATOM 928 O VAL A 130 11.565 -3.954 -4.272 1.00 0.00 O ATOM 929 CB VAL A 130 9.030 -3.675 -2.544 1.00 0.00 C ATOM 930 CG1 VAL A 130 7.734 -4.472 -2.547 1.00 0.00 C ATOM 931 CG2 VAL A 130 10.187 -4.526 -2.043 1.00 0.00 C ATOM 0 H VAL A 130 9.144 -4.952 -4.973 1.00 0.00 H new ATOM 0 HA VAL A 130 8.854 -2.158 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 130 8.908 -2.831 -1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 130 7.536 -4.849 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 130 6.912 -3.829 -2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 130 7.824 -5.310 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 130 9.957 -4.903 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 130 10.342 -5.365 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.093 -3.921 -2.001 1.00 0.00 H new ATOM 941 N ASP A 131 11.308 -1.729 -4.064 1.00 0.00 N ATOM 942 CA ASP A 131 12.731 -1.441 -4.201 1.00 0.00 C ATOM 943 C ASP A 131 13.354 -1.129 -2.844 1.00 0.00 C ATOM 944 O ASP A 131 14.336 -0.392 -2.755 1.00 0.00 O ATOM 945 CB ASP A 131 12.946 -0.267 -5.157 1.00 0.00 C ATOM 946 CG ASP A 131 13.085 -0.714 -6.599 1.00 0.00 C ATOM 947 OD1 ASP A 131 12.045 -0.899 -7.265 1.00 0.00 O ATOM 948 OD2 ASP A 131 14.233 -0.879 -7.062 1.00 0.00 O ATOM 0 H ASP A 131 10.722 -0.905 -3.932 1.00 0.00 H new ATOM 0 HA ASP A 131 13.218 -2.326 -4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 131 12.108 0.425 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 131 13.841 0.280 -4.861 1.00 0.00 H new ATOM 953 N GLY A 132 12.776 -1.694 -1.788 1.00 0.00 N ATOM 954 CA GLY A 132 13.288 -1.463 -0.450 1.00 0.00 C ATOM 955 C GLY A 132 12.292 -0.742 0.436 1.00 0.00 C ATOM 956 O GLY A 132 11.598 -1.367 1.239 1.00 0.00 O ATOM 0 H GLY A 132 11.962 -2.307 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 132 13.550 -2.418 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 132 14.205 -0.877 -0.512 1.00 0.00 H new ATOM 960 N LEU A 133 12.220 0.577 0.292 1.00 0.00 N ATOM 961 CA LEU A 133 11.301 1.385 1.086 1.00 0.00 C ATOM 962 C LEU A 133 10.317 2.130 0.191 1.00 0.00 C ATOM 963 O LEU A 133 9.672 3.086 0.620 1.00 0.00 O ATOM 964 CB LEU A 133 12.081 2.381 1.946 1.00 0.00 C ATOM 965 CG LEU A 133 11.372 2.878 3.207 1.00 0.00 C ATOM 966 CD1 LEU A 133 11.253 1.758 4.229 1.00 0.00 C ATOM 967 CD2 LEU A 133 12.112 4.068 3.801 1.00 0.00 C ATOM 0 H LEU A 133 12.787 1.110 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 133 10.737 0.716 1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 133 13.022 1.917 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 133 12.331 3.245 1.330 1.00 0.00 H new ATOM 0 HG LEU A 133 10.367 3.200 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.746 2.130 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 133 10.679 0.935 3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 133 12.248 1.405 4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 133 11.594 4.408 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 133 13.128 3.772 4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 133 12.145 4.877 3.071 1.00 0.00 H new ATOM 979 N LYS A 134 10.204 1.683 -1.056 1.00 0.00 N ATOM 980 CA LYS A 134 9.296 2.304 -2.013 1.00 0.00 C ATOM 981 C LYS A 134 8.873 1.307 -3.087 1.00 0.00 C ATOM 982 O LYS A 134 9.648 0.983 -3.988 1.00 0.00 O ATOM 983 CB LYS A 134 9.961 3.519 -2.663 1.00 0.00 C ATOM 984 CG LYS A 134 11.371 3.249 -3.159 1.00 0.00 C ATOM 985 CD LYS A 134 11.866 4.363 -4.065 1.00 0.00 C ATOM 986 CE LYS A 134 12.828 3.838 -5.120 1.00 0.00 C ATOM 987 NZ LYS A 134 14.221 3.740 -4.602 1.00 0.00 N ATOM 0 H LYS A 134 10.731 0.892 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 134 8.406 2.630 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.348 3.853 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.989 4.336 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 134 12.044 3.145 -2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.393 2.303 -3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 134 11.016 4.842 -4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.362 5.127 -3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 134 12.496 2.856 -5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 134 12.809 4.497 -5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 14.845 3.378 -5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.547 4.681 -4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 14.244 3.092 -3.789 1.00 0.00 H new ATOM 1001 N LEU A 135 7.639 0.825 -2.987 1.00 0.00 N ATOM 1002 CA LEU A 135 7.111 -0.134 -3.951 1.00 0.00 C ATOM 1003 C LEU A 135 6.146 0.543 -4.919 1.00 0.00 C ATOM 1004 O LEU A 135 5.709 1.671 -4.691 1.00 0.00 O ATOM 1005 CB LEU A 135 6.404 -1.280 -3.226 1.00 0.00 C ATOM 1006 CG LEU A 135 5.738 -0.923 -1.896 1.00 0.00 C ATOM 1007 CD1 LEU A 135 4.637 0.104 -2.110 1.00 0.00 C ATOM 1008 CD2 LEU A 135 5.182 -2.172 -1.227 1.00 0.00 C ATOM 0 H LEU A 135 6.985 1.083 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 135 7.948 -0.536 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.644 -1.691 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.131 -2.072 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 135 6.491 -0.487 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.174 0.346 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.062 1.008 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.884 -0.305 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.712 -1.900 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.443 -2.636 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.993 -2.876 -1.039 1.00 0.00 H new ATOM 1020 N LYS A 136 5.815 -0.155 -6.001 1.00 0.00 N ATOM 1021 CA LYS A 136 4.899 0.375 -7.003 1.00 0.00 C ATOM 1022 C LYS A 136 3.524 -0.274 -6.882 1.00 0.00 C ATOM 1023 O LYS A 136 3.413 -1.474 -6.632 1.00 0.00 O ATOM 1024 CB LYS A 136 5.460 0.147 -8.409 1.00 0.00 C ATOM 1025 CG LYS A 136 6.393 1.250 -8.878 1.00 0.00 C ATOM 1026 CD LYS A 136 6.576 1.222 -10.386 1.00 0.00 C ATOM 1027 CE LYS A 136 5.500 2.032 -11.093 1.00 0.00 C ATOM 1028 NZ LYS A 136 4.193 1.319 -11.112 1.00 0.00 N ATOM 0 H LYS A 136 6.168 -1.090 -6.206 1.00 0.00 H new ATOM 0 HA LYS A 136 4.792 1.446 -6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 136 5.995 -0.802 -8.428 1.00 0.00 H new ATOM 0 HB3 LYS A 136 4.632 0.060 -9.112 1.00 0.00 H new ATOM 0 HG2 LYS A 136 5.993 2.218 -8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 136 7.362 1.140 -8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.559 1.619 -10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 136 6.547 0.191 -10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 136 5.382 2.994 -10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 136 5.815 2.240 -12.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 3.647 1.617 -11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 4.358 0.293 -11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 3.660 1.548 -10.249 1.00 0.00 H new ATOM 1042 N VAL A 137 2.478 0.527 -7.062 1.00 0.00 N ATOM 1043 CA VAL A 137 1.111 0.029 -6.975 1.00 0.00 C ATOM 1044 C VAL A 137 0.406 0.120 -8.324 1.00 0.00 C ATOM 1045 O VAL A 137 0.551 1.105 -9.047 1.00 0.00 O ATOM 1046 CB VAL A 137 0.295 0.811 -5.928 1.00 0.00 C ATOM 1047 CG1 VAL A 137 0.868 0.597 -4.536 1.00 0.00 C ATOM 1048 CG2 VAL A 137 0.259 2.291 -6.278 1.00 0.00 C ATOM 0 H VAL A 137 2.552 1.523 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 137 1.173 -1.016 -6.671 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.728 0.435 -5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.279 1.157 -3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.836 -0.464 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.901 0.944 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.321 2.828 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.275 2.684 -6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.203 2.422 -7.257 1.00 0.00 H new ATOM 1058 N LYS A 138 -0.358 -0.915 -8.656 1.00 0.00 N ATOM 1059 CA LYS A 138 -1.088 -0.953 -9.918 1.00 0.00 C ATOM 1060 C LYS A 138 -2.590 -1.061 -9.675 1.00 0.00 C ATOM 1061 O LYS A 138 -3.044 -1.907 -8.905 1.00 0.00 O ATOM 1062 CB LYS A 138 -0.613 -2.132 -10.771 1.00 0.00 C ATOM 1063 CG LYS A 138 0.628 -1.827 -11.591 1.00 0.00 C ATOM 1064 CD LYS A 138 0.976 -2.975 -12.524 1.00 0.00 C ATOM 1065 CE LYS A 138 1.844 -2.509 -13.683 1.00 0.00 C ATOM 1066 NZ LYS A 138 1.031 -1.919 -14.782 1.00 0.00 N ATOM 0 H LYS A 138 -0.488 -1.739 -8.069 1.00 0.00 H new ATOM 0 HA LYS A 138 -0.890 -0.023 -10.451 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -0.408 -2.982 -10.120 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -1.418 -2.431 -11.443 1.00 0.00 H new ATOM 0 HG2 LYS A 138 0.467 -0.920 -12.173 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.467 -1.632 -10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 138 1.498 -3.752 -11.967 1.00 0.00 H new ATOM 0 HD3 LYS A 138 0.060 -3.421 -12.911 1.00 0.00 H new ATOM 0 HE2 LYS A 138 2.562 -1.771 -13.325 1.00 0.00 H new ATOM 0 HE3 LYS A 138 2.419 -3.351 -14.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 1.659 -1.614 -15.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 0.363 -2.631 -15.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 0.502 -1.099 -14.421 1.00 0.00 H new ATOM 1080 N ARG A 139 -3.356 -0.200 -10.337 1.00 0.00 N ATOM 1081 CA ARG A 139 -4.806 -0.200 -10.192 1.00 0.00 C ATOM 1082 C ARG A 139 -5.390 -1.559 -10.566 1.00 0.00 C ATOM 1083 O ARG A 139 -5.182 -2.051 -11.676 1.00 0.00 O ATOM 1084 CB ARG A 139 -5.427 0.892 -11.066 1.00 0.00 C ATOM 1085 CG ARG A 139 -6.943 0.821 -11.144 1.00 0.00 C ATOM 1086 CD ARG A 139 -7.597 1.650 -10.049 1.00 0.00 C ATOM 1087 NE ARG A 139 -8.964 1.216 -9.777 1.00 0.00 N ATOM 1088 CZ ARG A 139 -9.983 1.438 -10.600 1.00 0.00 C ATOM 1089 NH1 ARG A 139 -9.790 2.085 -11.741 1.00 0.00 N ATOM 1090 NH2 ARG A 139 -11.199 1.012 -10.282 1.00 0.00 N ATOM 0 H ARG A 139 -2.996 0.506 -10.979 1.00 0.00 H new ATOM 0 HA ARG A 139 -5.042 0.002 -9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -5.137 1.867 -10.675 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -5.016 0.817 -12.073 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -7.275 1.177 -12.119 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -7.265 -0.217 -11.057 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -7.005 1.577 -9.137 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -7.602 2.700 -10.343 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.147 0.715 -8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -8.857 2.414 -11.989 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -10.575 2.254 -12.371 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -11.352 0.514 -9.405 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -11.981 1.183 -10.914 1.00 0.00 H new ATOM 1104 N ILE A 140 -6.121 -2.160 -9.633 1.00 0.00 N ATOM 1105 CA ILE A 140 -6.735 -3.461 -9.865 1.00 0.00 C ATOM 1106 C ILE A 140 -8.242 -3.407 -9.635 1.00 0.00 C ATOM 1107 O ILE A 140 -8.730 -2.767 -8.703 1.00 0.00 O ATOM 1108 CB ILE A 140 -6.126 -4.542 -8.953 1.00 0.00 C ATOM 1109 CG1 ILE A 140 -6.250 -4.129 -7.484 1.00 0.00 C ATOM 1110 CG2 ILE A 140 -4.670 -4.785 -9.319 1.00 0.00 C ATOM 1111 CD1 ILE A 140 -6.112 -5.285 -6.518 1.00 0.00 C ATOM 0 H ILE A 140 -6.302 -1.766 -8.710 1.00 0.00 H new ATOM 0 HA ILE A 140 -6.538 -3.722 -10.905 1.00 0.00 H new ATOM 0 HB ILE A 140 -6.677 -5.472 -9.098 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -5.487 -3.384 -7.259 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -7.217 -3.651 -7.330 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -4.254 -5.552 -8.666 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -4.606 -5.117 -10.355 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -4.105 -3.860 -9.199 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -6.210 -4.919 -5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.892 -6.020 -6.717 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -5.134 -5.750 -6.644 1.00 0.00 H new