USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 603 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 73 SER OG : rot 34:sc= -0.0316 USER MOD Single : A 79 ASN : amide:sc= -0.0517 K(o=-0.052,f=-3.2!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -150:sc= -0.483 (180deg=-1.66!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 150:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 152:sc= -1.2 (180deg=-2.67!) USER MOD Single : A 105 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-0.99) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -160:sc= -0.268 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 143:sc= 0.138 (180deg=-2.71!) USER MOD Single : A 130 ASN : amide:sc= -2 K(o=-2,f=-7.1!) USER MOD Single : A 131 MET CE :methyl -108:sc= -0.0917 (180deg=-2.27) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 199 N SER A 73 -4.540 3.421 6.902 1.00 0.00 N ATOM 200 CA SER A 73 -3.200 3.449 6.327 1.00 0.00 C ATOM 201 C SER A 73 -3.124 2.570 5.083 1.00 0.00 C ATOM 202 O SER A 73 -2.605 1.455 5.128 1.00 0.00 O ATOM 203 CB SER A 73 -2.170 2.984 7.358 1.00 0.00 C ATOM 204 OG SER A 73 -2.484 3.474 8.650 1.00 0.00 O ATOM 0 HA SER A 73 -2.977 4.476 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.136 1.895 7.377 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.178 3.328 7.066 1.00 0.00 H new ATOM 0 HG SER A 73 -3.457 3.524 8.753 1.00 0.00 H new ATOM 210 N ARG A 74 -3.646 3.081 3.972 1.00 0.00 N ATOM 211 CA ARG A 74 -3.640 2.343 2.715 1.00 0.00 C ATOM 212 C ARG A 74 -2.587 2.902 1.762 1.00 0.00 C ATOM 213 O ARG A 74 -2.610 4.085 1.420 1.00 0.00 O ATOM 214 CB ARG A 74 -5.020 2.400 2.058 1.00 0.00 C ATOM 215 CG ARG A 74 -5.988 1.352 2.582 1.00 0.00 C ATOM 216 CD ARG A 74 -6.651 1.803 3.874 1.00 0.00 C ATOM 217 NE ARG A 74 -7.475 2.993 3.680 1.00 0.00 N ATOM 218 CZ ARG A 74 -8.669 2.974 3.097 1.00 0.00 C ATOM 219 NH1 ARG A 74 -9.175 1.832 2.654 1.00 0.00 N ATOM 220 NH2 ARG A 74 -9.358 4.099 2.957 1.00 0.00 N ATOM 0 H ARG A 74 -4.078 4.003 3.917 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.393 1.304 2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.448 3.390 2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.906 2.271 0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.752 1.152 1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.456 0.416 2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.268 0.995 4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.885 2.010 4.621 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.114 3.888 4.010 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.648 0.965 2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.092 1.820 2.207 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.971 4.980 3.297 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.274 4.083 2.509 1.00 0.00 H new ATOM 234 N LEU A 75 -1.666 2.044 1.337 1.00 0.00 N ATOM 235 CA LEU A 75 -0.604 2.452 0.424 1.00 0.00 C ATOM 236 C LEU A 75 -0.917 2.017 -1.004 1.00 0.00 C ATOM 237 O LEU A 75 -1.130 0.834 -1.271 1.00 0.00 O ATOM 238 CB LEU A 75 0.734 1.859 0.868 1.00 0.00 C ATOM 239 CG LEU A 75 1.443 2.584 2.012 1.00 0.00 C ATOM 240 CD1 LEU A 75 2.679 1.813 2.448 1.00 0.00 C ATOM 241 CD2 LEU A 75 1.814 4.000 1.597 1.00 0.00 C ATOM 0 H LEU A 75 -1.633 1.062 1.610 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.537 3.540 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.568 0.824 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.403 1.839 0.008 1.00 0.00 H new ATOM 0 HG LEU A 75 0.759 2.642 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.171 2.344 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.387 0.819 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.367 1.722 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.318 4.501 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.480 3.964 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.911 4.551 1.335 1.00 0.00 H new ATOM 253 N PHE A 76 -0.942 2.980 -1.919 1.00 0.00 N ATOM 254 CA PHE A 76 -1.228 2.696 -3.321 1.00 0.00 C ATOM 255 C PHE A 76 0.059 2.431 -4.095 1.00 0.00 C ATOM 256 O PHE A 76 0.952 3.278 -4.146 1.00 0.00 O ATOM 257 CB PHE A 76 -1.987 3.864 -3.955 1.00 0.00 C ATOM 258 CG PHE A 76 -1.920 3.878 -5.455 1.00 0.00 C ATOM 259 CD1 PHE A 76 -2.716 3.028 -6.206 1.00 0.00 C ATOM 260 CD2 PHE A 76 -1.060 4.741 -6.115 1.00 0.00 C ATOM 261 CE1 PHE A 76 -2.657 3.039 -7.587 1.00 0.00 C ATOM 262 CE2 PHE A 76 -0.996 4.756 -7.496 1.00 0.00 C ATOM 263 CZ PHE A 76 -1.795 3.904 -8.232 1.00 0.00 C ATOM 0 H PHE A 76 -0.768 3.964 -1.715 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.849 1.801 -3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.031 3.819 -3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.582 4.801 -3.572 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.391 2.349 -5.706 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.433 5.410 -5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.284 2.372 -8.161 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.322 5.434 -7.999 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.746 3.914 -9.311 1.00 0.00 H new ATOM 273 N VAL A 77 0.148 1.250 -4.698 1.00 0.00 N ATOM 274 CA VAL A 77 1.325 0.872 -5.471 1.00 0.00 C ATOM 275 C VAL A 77 1.037 0.915 -6.967 1.00 0.00 C ATOM 276 O VAL A 77 0.195 0.172 -7.469 1.00 0.00 O ATOM 277 CB VAL A 77 1.816 -0.538 -5.093 1.00 0.00 C ATOM 278 CG1 VAL A 77 3.112 -0.865 -5.818 1.00 0.00 C ATOM 279 CG2 VAL A 77 1.994 -0.655 -3.587 1.00 0.00 C ATOM 0 H VAL A 77 -0.582 0.538 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 77 2.105 1.595 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 77 1.062 -1.261 -5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.443 -1.865 -5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.947 -0.826 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.877 -0.139 -5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.341 -1.658 -3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.728 0.077 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.041 -0.468 -3.092 1.00 0.00 H new ATOM 289 N GLY A 78 1.744 1.790 -7.676 1.00 0.00 N ATOM 290 CA GLY A 78 1.550 1.913 -9.109 1.00 0.00 C ATOM 291 C GLY A 78 2.760 1.456 -9.899 1.00 0.00 C ATOM 292 O GLY A 78 3.807 1.157 -9.326 1.00 0.00 O ATOM 0 H GLY A 78 2.447 2.416 -7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.682 1.325 -9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.331 2.952 -9.355 1.00 0.00 H new ATOM 296 N ASN A 79 2.617 1.401 -11.219 1.00 0.00 N ATOM 297 CA ASN A 79 3.707 0.975 -12.089 1.00 0.00 C ATOM 298 C ASN A 79 4.157 -0.441 -11.744 1.00 0.00 C ATOM 299 O ASN A 79 5.351 -0.744 -11.754 1.00 0.00 O ATOM 300 CB ASN A 79 4.888 1.941 -11.973 1.00 0.00 C ATOM 301 CG ASN A 79 5.746 1.959 -13.222 1.00 0.00 C ATOM 302 OD1 ASN A 79 6.948 1.698 -13.167 1.00 0.00 O ATOM 303 ND2 ASN A 79 5.131 2.267 -14.358 1.00 0.00 N ATOM 0 H ASN A 79 1.757 1.646 -11.710 1.00 0.00 H new ATOM 0 HA ASN A 79 3.342 0.981 -13.116 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.514 2.946 -11.778 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.502 1.658 -11.118 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.657 2.294 -15.232 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.133 2.476 -14.357 1.00 0.00 H new ATOM 310 N LEU A 80 3.195 -1.304 -11.439 1.00 0.00 N ATOM 311 CA LEU A 80 3.491 -2.689 -11.090 1.00 0.00 C ATOM 312 C LEU A 80 3.902 -3.485 -12.325 1.00 0.00 C ATOM 313 O LEU A 80 3.287 -3.391 -13.387 1.00 0.00 O ATOM 314 CB LEU A 80 2.275 -3.341 -10.430 1.00 0.00 C ATOM 315 CG LEU A 80 2.055 -3.009 -8.954 1.00 0.00 C ATOM 316 CD1 LEU A 80 0.975 -3.902 -8.362 1.00 0.00 C ATOM 317 CD2 LEU A 80 3.354 -3.152 -8.175 1.00 0.00 C ATOM 0 H LEU A 80 2.202 -1.069 -11.426 1.00 0.00 H new ATOM 0 HA LEU A 80 4.323 -2.691 -10.385 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.384 -3.047 -10.985 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.369 -4.422 -10.529 1.00 0.00 H new ATOM 0 HG LEU A 80 1.723 -1.973 -8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.832 -3.652 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.040 -3.750 -8.902 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.278 -4.945 -8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.178 -2.912 -7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.716 -4.177 -8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.100 -2.470 -8.583 1.00 0.00 H new ATOM 329 N PRO A 81 4.965 -4.291 -12.183 1.00 0.00 N ATOM 330 CA PRO A 81 5.480 -5.122 -13.276 1.00 0.00 C ATOM 331 C PRO A 81 4.536 -6.266 -13.628 1.00 0.00 C ATOM 332 O PRO A 81 3.714 -6.697 -12.818 1.00 0.00 O ATOM 333 CB PRO A 81 6.796 -5.667 -12.717 1.00 0.00 C ATOM 334 CG PRO A 81 6.619 -5.642 -11.238 1.00 0.00 C ATOM 335 CD PRO A 81 5.746 -4.454 -10.945 1.00 0.00 C ATOM 0 HA PRO A 81 5.596 -4.555 -14.200 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.990 -6.678 -13.075 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.642 -5.052 -13.025 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.156 -6.563 -10.885 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.580 -5.554 -10.731 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.102 -4.631 -10.084 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.337 -3.566 -10.723 1.00 0.00 H new ATOM 343 N PRO A 82 4.653 -6.772 -14.865 1.00 0.00 N ATOM 344 CA PRO A 82 3.819 -7.875 -15.352 1.00 0.00 C ATOM 345 C PRO A 82 4.153 -9.198 -14.673 1.00 0.00 C ATOM 346 O PRO A 82 3.548 -10.229 -14.969 1.00 0.00 O ATOM 347 CB PRO A 82 4.153 -7.940 -16.844 1.00 0.00 C ATOM 348 CG PRO A 82 5.522 -7.361 -16.952 1.00 0.00 C ATOM 349 CD PRO A 82 5.610 -6.307 -15.883 1.00 0.00 C ATOM 0 HA PRO A 82 2.762 -7.709 -15.145 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.127 -8.966 -17.211 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.435 -7.372 -17.435 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.283 -8.128 -16.808 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.687 -6.930 -17.940 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.619 -6.228 -15.479 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.342 -5.323 -16.266 1.00 0.00 H new ATOM 357 N ASP A 83 5.118 -9.163 -13.761 1.00 0.00 N ATOM 358 CA ASP A 83 5.532 -10.360 -13.038 1.00 0.00 C ATOM 359 C ASP A 83 5.300 -10.197 -11.539 1.00 0.00 C ATOM 360 O ASP A 83 6.050 -10.735 -10.724 1.00 0.00 O ATOM 361 CB ASP A 83 7.007 -10.662 -13.309 1.00 0.00 C ATOM 362 CG ASP A 83 7.213 -11.434 -14.597 1.00 0.00 C ATOM 363 OD1 ASP A 83 6.582 -11.073 -15.613 1.00 0.00 O ATOM 364 OD2 ASP A 83 8.006 -12.398 -14.590 1.00 0.00 O ATOM 0 H ASP A 83 5.629 -8.318 -13.505 1.00 0.00 H new ATOM 0 HA ASP A 83 4.928 -11.195 -13.392 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.564 -9.726 -13.357 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.417 -11.234 -12.477 1.00 0.00 H new ATOM 369 N ILE A 84 4.259 -9.452 -11.185 1.00 0.00 N ATOM 370 CA ILE A 84 3.929 -9.219 -9.784 1.00 0.00 C ATOM 371 C ILE A 84 2.713 -10.037 -9.362 1.00 0.00 C ATOM 372 O ILE A 84 1.692 -10.054 -10.051 1.00 0.00 O ATOM 373 CB ILE A 84 3.651 -7.729 -9.512 1.00 0.00 C ATOM 374 CG1 ILE A 84 3.439 -7.492 -8.015 1.00 0.00 C ATOM 375 CG2 ILE A 84 2.439 -7.263 -10.304 1.00 0.00 C ATOM 376 CD1 ILE A 84 4.728 -7.327 -7.241 1.00 0.00 C ATOM 0 H ILE A 84 3.630 -8.999 -11.848 1.00 0.00 H new ATOM 0 HA ILE A 84 4.794 -9.532 -9.200 1.00 0.00 H new ATOM 0 HB ILE A 84 4.516 -7.149 -9.834 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.827 -6.600 -7.880 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.879 -8.329 -7.598 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.255 -6.208 -10.101 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.626 -7.401 -11.369 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.566 -7.846 -10.010 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.501 -7.163 -6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.333 -8.228 -7.346 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.280 -6.472 -7.631 1.00 0.00 H new ATOM 388 N THR A 85 2.827 -10.713 -8.223 1.00 0.00 N ATOM 389 CA THR A 85 1.737 -11.533 -7.708 1.00 0.00 C ATOM 390 C THR A 85 1.521 -11.287 -6.220 1.00 0.00 C ATOM 391 O THR A 85 2.409 -10.791 -5.528 1.00 0.00 O ATOM 392 CB THR A 85 2.006 -13.032 -7.936 1.00 0.00 C ATOM 393 OG1 THR A 85 3.203 -13.424 -7.253 1.00 0.00 O ATOM 394 CG2 THR A 85 2.139 -13.340 -9.419 1.00 0.00 C ATOM 0 H THR A 85 3.664 -10.709 -7.639 1.00 0.00 H new ATOM 0 HA THR A 85 0.839 -11.246 -8.255 1.00 0.00 H new ATOM 0 HB THR A 85 1.160 -13.594 -7.540 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.366 -14.379 -7.401 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.329 -14.405 -9.554 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.216 -13.068 -9.931 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.968 -12.768 -9.836 1.00 0.00 H new ATOM 402 N GLU A 86 0.334 -11.637 -5.733 1.00 0.00 N ATOM 403 CA GLU A 86 0.002 -11.453 -4.325 1.00 0.00 C ATOM 404 C GLU A 86 1.184 -11.827 -3.434 1.00 0.00 C ATOM 405 O GLU A 86 1.411 -11.207 -2.396 1.00 0.00 O ATOM 406 CB GLU A 86 -1.219 -12.296 -3.952 1.00 0.00 C ATOM 407 CG GLU A 86 -2.438 -12.017 -4.815 1.00 0.00 C ATOM 408 CD GLU A 86 -2.438 -12.821 -6.101 1.00 0.00 C ATOM 409 OE1 GLU A 86 -2.465 -14.066 -6.023 1.00 0.00 O ATOM 410 OE2 GLU A 86 -2.413 -12.202 -7.186 1.00 0.00 O ATOM 0 H GLU A 86 -0.413 -12.049 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.231 -10.400 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.960 -13.352 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.473 -12.110 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.340 -12.246 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.473 -10.954 -5.055 1.00 0.00 H new ATOM 417 N GLU A 87 1.931 -12.845 -3.849 1.00 0.00 N ATOM 418 CA GLU A 87 3.088 -13.302 -3.088 1.00 0.00 C ATOM 419 C GLU A 87 4.170 -12.227 -3.044 1.00 0.00 C ATOM 420 O GLU A 87 4.619 -11.828 -1.970 1.00 0.00 O ATOM 421 CB GLU A 87 3.653 -14.586 -3.699 1.00 0.00 C ATOM 422 CG GLU A 87 4.596 -15.337 -2.774 1.00 0.00 C ATOM 423 CD GLU A 87 4.625 -16.827 -3.054 1.00 0.00 C ATOM 424 OE1 GLU A 87 3.652 -17.519 -2.688 1.00 0.00 O ATOM 425 OE2 GLU A 87 5.621 -17.300 -3.640 1.00 0.00 O ATOM 0 H GLU A 87 1.756 -13.368 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 87 2.762 -13.506 -2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.827 -15.242 -3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.181 -14.338 -4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.602 -14.932 -2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.293 -15.171 -1.740 1.00 0.00 H new ATOM 432 N GLU A 88 4.584 -11.764 -4.220 1.00 0.00 N ATOM 433 CA GLU A 88 5.614 -10.737 -4.315 1.00 0.00 C ATOM 434 C GLU A 88 5.282 -9.548 -3.418 1.00 0.00 C ATOM 435 O GLU A 88 6.154 -9.005 -2.741 1.00 0.00 O ATOM 436 CB GLU A 88 5.766 -10.269 -5.764 1.00 0.00 C ATOM 437 CG GLU A 88 6.626 -11.190 -6.613 1.00 0.00 C ATOM 438 CD GLU A 88 7.206 -10.491 -7.828 1.00 0.00 C ATOM 439 OE1 GLU A 88 7.315 -9.248 -7.802 1.00 0.00 O ATOM 440 OE2 GLU A 88 7.552 -11.189 -8.804 1.00 0.00 O ATOM 0 H GLU A 88 4.222 -12.084 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 88 6.556 -11.171 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.778 -10.189 -6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.202 -9.270 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.439 -11.586 -6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.028 -12.041 -6.939 1.00 0.00 H new ATOM 447 N MET A 89 4.014 -9.149 -3.420 1.00 0.00 N ATOM 448 CA MET A 89 3.566 -8.025 -2.606 1.00 0.00 C ATOM 449 C MET A 89 3.777 -8.310 -1.122 1.00 0.00 C ATOM 450 O MET A 89 4.434 -7.540 -0.421 1.00 0.00 O ATOM 451 CB MET A 89 2.089 -7.730 -2.875 1.00 0.00 C ATOM 452 CG MET A 89 1.618 -6.407 -2.292 1.00 0.00 C ATOM 453 SD MET A 89 0.170 -5.750 -3.143 1.00 0.00 S ATOM 454 CE MET A 89 0.789 -4.159 -3.684 1.00 0.00 C ATOM 0 H MET A 89 3.279 -9.587 -3.976 1.00 0.00 H new ATOM 0 HA MET A 89 4.159 -7.152 -2.878 1.00 0.00 H new ATOM 0 HB2 MET A 89 1.918 -7.725 -3.952 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.484 -8.536 -2.460 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.384 -6.542 -1.236 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.429 -5.680 -2.348 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.006 -3.630 -4.228 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.089 -3.571 -2.816 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.649 -4.306 -4.337 1.00 0.00 H new ATOM 464 N ARG A 90 3.217 -9.419 -0.651 1.00 0.00 N ATOM 465 CA ARG A 90 3.343 -9.803 0.750 1.00 0.00 C ATOM 466 C ARG A 90 4.807 -9.809 1.182 1.00 0.00 C ATOM 467 O ARG A 90 5.139 -9.398 2.294 1.00 0.00 O ATOM 468 CB ARG A 90 2.727 -11.185 0.979 1.00 0.00 C ATOM 469 CG ARG A 90 1.256 -11.140 1.359 1.00 0.00 C ATOM 470 CD ARG A 90 0.548 -12.437 0.997 1.00 0.00 C ATOM 471 NE ARG A 90 1.125 -13.586 1.689 1.00 0.00 N ATOM 472 CZ ARG A 90 0.498 -14.750 1.829 1.00 0.00 C ATOM 473 NH1 ARG A 90 -0.717 -14.916 1.327 1.00 0.00 N ATOM 474 NH2 ARG A 90 1.089 -15.749 2.471 1.00 0.00 N ATOM 0 H ARG A 90 2.672 -10.068 -1.219 1.00 0.00 H new ATOM 0 HA ARG A 90 2.807 -9.069 1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.841 -11.779 0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.282 -11.695 1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.161 -10.959 2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.773 -10.306 0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.509 -12.355 1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.608 -12.595 -0.080 1.00 0.00 H new ATOM 0 HE ARG A 90 2.060 -13.490 2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.173 -14.150 0.832 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.196 -15.810 1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.025 -15.624 2.857 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.608 -16.642 2.578 1.00 0.00 H new ATOM 488 N LYS A 91 5.678 -10.278 0.295 1.00 0.00 N ATOM 489 CA LYS A 91 7.106 -10.337 0.583 1.00 0.00 C ATOM 490 C LYS A 91 7.725 -8.943 0.558 1.00 0.00 C ATOM 491 O LYS A 91 8.551 -8.604 1.406 1.00 0.00 O ATOM 492 CB LYS A 91 7.815 -11.239 -0.430 1.00 0.00 C ATOM 493 CG LYS A 91 9.077 -11.888 0.111 1.00 0.00 C ATOM 494 CD LYS A 91 10.005 -12.323 -1.011 1.00 0.00 C ATOM 495 CE LYS A 91 10.925 -11.192 -1.444 1.00 0.00 C ATOM 496 NZ LYS A 91 10.267 -10.288 -2.427 1.00 0.00 N ATOM 0 H LYS A 91 5.420 -10.623 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 91 7.232 -10.753 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.126 -12.019 -0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.069 -10.651 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.597 -11.187 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.811 -12.752 0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.602 -13.173 -0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.414 -12.659 -1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.230 -10.617 -0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.831 -11.609 -1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.985 -9.881 -3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.578 -10.828 -2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.778 -9.522 -1.921 1.00 0.00 H new ATOM 510 N LEU A 92 7.319 -8.138 -0.418 1.00 0.00 N ATOM 511 CA LEU A 92 7.832 -6.779 -0.552 1.00 0.00 C ATOM 512 C LEU A 92 7.620 -5.988 0.734 1.00 0.00 C ATOM 513 O LEU A 92 8.447 -5.156 1.107 1.00 0.00 O ATOM 514 CB LEU A 92 7.148 -6.068 -1.721 1.00 0.00 C ATOM 515 CG LEU A 92 7.670 -6.415 -3.116 1.00 0.00 C ATOM 516 CD1 LEU A 92 6.705 -5.925 -4.184 1.00 0.00 C ATOM 517 CD2 LEU A 92 9.053 -5.819 -3.331 1.00 0.00 C ATOM 0 H LEU A 92 6.636 -8.403 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 92 8.903 -6.838 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.083 -6.297 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.248 -4.992 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 92 7.747 -7.499 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.093 -6.181 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.734 -6.399 -4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.595 -4.843 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.409 -6.076 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.001 -4.735 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.741 -6.219 -2.586 1.00 0.00 H new ATOM 529 N PHE A 93 6.507 -6.254 1.410 1.00 0.00 N ATOM 530 CA PHE A 93 6.187 -5.567 2.656 1.00 0.00 C ATOM 531 C PHE A 93 6.319 -6.511 3.847 1.00 0.00 C ATOM 532 O PHE A 93 5.601 -6.381 4.838 1.00 0.00 O ATOM 533 CB PHE A 93 4.768 -4.996 2.598 1.00 0.00 C ATOM 534 CG PHE A 93 4.570 -3.993 1.498 1.00 0.00 C ATOM 535 CD1 PHE A 93 4.741 -4.356 0.172 1.00 0.00 C ATOM 536 CD2 PHE A 93 4.212 -2.687 1.790 1.00 0.00 C ATOM 537 CE1 PHE A 93 4.560 -3.435 -0.842 1.00 0.00 C ATOM 538 CE2 PHE A 93 4.030 -1.761 0.780 1.00 0.00 C ATOM 539 CZ PHE A 93 4.203 -2.136 -0.538 1.00 0.00 C ATOM 0 H PHE A 93 5.812 -6.940 1.116 1.00 0.00 H new ATOM 0 HA PHE A 93 6.896 -4.749 2.783 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.061 -5.815 2.464 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.535 -4.526 3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.019 -5.371 -0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.073 -2.389 2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.698 -3.731 -1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.753 -0.745 1.021 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.059 -1.415 -1.329 1.00 0.00 H new ATOM 549 N GLU A 94 7.241 -7.463 3.741 1.00 0.00 N ATOM 550 CA GLU A 94 7.466 -8.430 4.809 1.00 0.00 C ATOM 551 C GLU A 94 8.243 -7.798 5.960 1.00 0.00 C ATOM 552 O GLU A 94 8.280 -8.335 7.068 1.00 0.00 O ATOM 553 CB GLU A 94 8.226 -9.646 4.273 1.00 0.00 C ATOM 554 CG GLU A 94 9.736 -9.497 4.339 1.00 0.00 C ATOM 555 CD GLU A 94 10.465 -10.644 3.666 1.00 0.00 C ATOM 556 OE1 GLU A 94 10.229 -11.807 4.057 1.00 0.00 O ATOM 557 OE2 GLU A 94 11.271 -10.380 2.750 1.00 0.00 O ATOM 0 H GLU A 94 7.844 -7.585 2.927 1.00 0.00 H new ATOM 0 HA GLU A 94 6.495 -8.753 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.931 -10.528 4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.931 -9.821 3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.026 -8.559 3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.046 -9.436 5.382 1.00 0.00 H new ATOM 564 N LYS A 95 8.863 -6.654 5.691 1.00 0.00 N ATOM 565 CA LYS A 95 9.638 -5.947 6.703 1.00 0.00 C ATOM 566 C LYS A 95 8.723 -5.194 7.662 1.00 0.00 C ATOM 567 O LYS A 95 9.103 -4.899 8.796 1.00 0.00 O ATOM 568 CB LYS A 95 10.612 -4.971 6.038 1.00 0.00 C ATOM 569 CG LYS A 95 11.640 -4.392 6.995 1.00 0.00 C ATOM 570 CD LYS A 95 12.093 -3.009 6.557 1.00 0.00 C ATOM 571 CE LYS A 95 13.009 -3.080 5.346 1.00 0.00 C ATOM 572 NZ LYS A 95 13.649 -1.766 5.056 1.00 0.00 N ATOM 0 H LYS A 95 8.844 -6.197 4.780 1.00 0.00 H new ATOM 0 HA LYS A 95 10.203 -6.684 7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 95 11.130 -5.483 5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 95 10.046 -4.155 5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 95 11.215 -4.336 7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 95 12.502 -5.057 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 95 11.222 -2.398 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 95 12.613 -2.518 7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 95 13.781 -3.830 5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 95 12.437 -3.405 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 14.266 -1.856 4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 12.913 -1.056 4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.215 -1.467 5.875 1.00 0.00 H new ATOM 586 N TYR A 96 7.515 -4.887 7.202 1.00 0.00 N ATOM 587 CA TYR A 96 6.545 -4.168 8.020 1.00 0.00 C ATOM 588 C TYR A 96 5.427 -5.096 8.482 1.00 0.00 C ATOM 589 O TYR A 96 4.302 -4.660 8.723 1.00 0.00 O ATOM 590 CB TYR A 96 5.958 -2.993 7.236 1.00 0.00 C ATOM 591 CG TYR A 96 6.922 -2.384 6.244 1.00 0.00 C ATOM 592 CD1 TYR A 96 8.005 -1.626 6.673 1.00 0.00 C ATOM 593 CD2 TYR A 96 6.751 -2.567 4.877 1.00 0.00 C ATOM 594 CE1 TYR A 96 8.888 -1.067 5.770 1.00 0.00 C ATOM 595 CE2 TYR A 96 7.631 -2.013 3.967 1.00 0.00 C ATOM 596 CZ TYR A 96 8.697 -1.263 4.418 1.00 0.00 C ATOM 597 OH TYR A 96 9.575 -0.709 3.515 1.00 0.00 O ATOM 0 H TYR A 96 7.184 -5.125 6.267 1.00 0.00 H new ATOM 0 HA TYR A 96 7.062 -3.787 8.901 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.068 -3.330 6.705 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.638 -2.223 7.938 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.159 -1.471 7.731 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.916 -3.152 4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.724 -0.479 6.121 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.485 -2.167 2.908 1.00 0.00 H new ATOM 0 HH TYR A 96 9.624 -1.275 2.717 1.00 0.00 H new ATOM 607 N GLY A 97 5.745 -6.382 8.603 1.00 0.00 N ATOM 608 CA GLY A 97 4.758 -7.353 9.036 1.00 0.00 C ATOM 609 C GLY A 97 3.850 -7.800 7.907 1.00 0.00 C ATOM 610 O GLY A 97 4.078 -7.462 6.746 1.00 0.00 O ATOM 0 H GLY A 97 6.669 -6.768 8.409 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.267 -8.221 9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.154 -6.922 9.834 1.00 0.00 H new ATOM 614 N LYS A 98 2.818 -8.564 8.248 1.00 0.00 N ATOM 615 CA LYS A 98 1.872 -9.059 7.255 1.00 0.00 C ATOM 616 C LYS A 98 0.868 -7.976 6.871 1.00 0.00 C ATOM 617 O LYS A 98 0.430 -7.195 7.716 1.00 0.00 O ATOM 618 CB LYS A 98 1.132 -10.286 7.792 1.00 0.00 C ATOM 619 CG LYS A 98 -0.231 -10.501 7.158 1.00 0.00 C ATOM 620 CD LYS A 98 -0.641 -11.964 7.200 1.00 0.00 C ATOM 621 CE LYS A 98 -0.020 -12.750 6.056 1.00 0.00 C ATOM 622 NZ LYS A 98 1.400 -13.105 6.333 1.00 0.00 N ATOM 0 H LYS A 98 2.615 -8.854 9.205 1.00 0.00 H new ATOM 0 HA LYS A 98 2.434 -9.341 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.745 -11.172 7.624 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.009 -10.183 8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.975 -9.899 7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.211 -10.157 6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.336 -12.401 8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.727 -12.040 7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.595 -13.660 5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.075 -12.162 5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.644 -13.980 5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.020 -12.335 6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.529 -13.248 7.355 1.00 0.00 H new ATOM 636 N ALA A 99 0.508 -7.935 5.593 1.00 0.00 N ATOM 637 CA ALA A 99 -0.447 -6.950 5.099 1.00 0.00 C ATOM 638 C ALA A 99 -1.881 -7.390 5.373 1.00 0.00 C ATOM 639 O ALA A 99 -2.181 -8.583 5.397 1.00 0.00 O ATOM 640 CB ALA A 99 -0.240 -6.715 3.611 1.00 0.00 C ATOM 0 H ALA A 99 0.863 -8.572 4.880 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.274 -6.014 5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.960 -5.978 3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.772 -6.348 3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.383 -7.651 3.071 1.00 0.00 H new ATOM 646 N GLY A 100 -2.764 -6.418 5.580 1.00 0.00 N ATOM 647 CA GLY A 100 -4.156 -6.726 5.850 1.00 0.00 C ATOM 648 C GLY A 100 -4.958 -6.947 4.583 1.00 0.00 C ATOM 649 O GLY A 100 -5.599 -7.985 4.421 1.00 0.00 O ATOM 0 H GLY A 100 -2.540 -5.423 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.213 -7.619 6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.601 -5.911 6.420 1.00 0.00 H new ATOM 653 N GLU A 101 -4.923 -5.969 3.684 1.00 0.00 N ATOM 654 CA GLU A 101 -5.654 -6.063 2.426 1.00 0.00 C ATOM 655 C GLU A 101 -4.703 -5.970 1.235 1.00 0.00 C ATOM 656 O GLU A 101 -3.987 -4.982 1.074 1.00 0.00 O ATOM 657 CB GLU A 101 -6.707 -4.956 2.339 1.00 0.00 C ATOM 658 CG GLU A 101 -7.778 -5.215 1.292 1.00 0.00 C ATOM 659 CD GLU A 101 -8.634 -3.994 1.019 1.00 0.00 C ATOM 660 OE1 GLU A 101 -9.595 -3.760 1.782 1.00 0.00 O ATOM 661 OE2 GLU A 101 -8.343 -3.272 0.042 1.00 0.00 O ATOM 0 H GLU A 101 -4.397 -5.103 3.803 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.152 -7.032 2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.183 -4.842 3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.211 -4.012 2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -7.304 -5.537 0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.416 -6.034 1.625 1.00 0.00 H new ATOM 668 N VAL A 102 -4.703 -7.007 0.404 1.00 0.00 N ATOM 669 CA VAL A 102 -3.842 -7.044 -0.772 1.00 0.00 C ATOM 670 C VAL A 102 -4.654 -7.275 -2.041 1.00 0.00 C ATOM 671 O VAL A 102 -5.398 -8.250 -2.146 1.00 0.00 O ATOM 672 CB VAL A 102 -2.774 -8.147 -0.651 1.00 0.00 C ATOM 673 CG1 VAL A 102 -2.071 -8.358 -1.984 1.00 0.00 C ATOM 674 CG2 VAL A 102 -1.772 -7.801 0.440 1.00 0.00 C ATOM 0 H VAL A 102 -5.290 -7.833 0.523 1.00 0.00 H new ATOM 0 HA VAL A 102 -3.347 -6.075 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 102 -3.268 -9.079 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.320 -9.141 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -2.801 -8.654 -2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -1.588 -7.431 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.025 -8.591 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.281 -6.858 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.291 -7.705 1.394 1.00 0.00 H new ATOM 684 N PHE A 103 -4.506 -6.371 -3.004 1.00 0.00 N ATOM 685 CA PHE A 103 -5.227 -6.476 -4.268 1.00 0.00 C ATOM 686 C PHE A 103 -4.332 -6.077 -5.438 1.00 0.00 C ATOM 687 O PHE A 103 -3.793 -4.971 -5.473 1.00 0.00 O ATOM 688 CB PHE A 103 -6.475 -5.592 -4.242 1.00 0.00 C ATOM 689 CG PHE A 103 -7.622 -6.197 -3.484 1.00 0.00 C ATOM 690 CD1 PHE A 103 -7.583 -6.295 -2.103 1.00 0.00 C ATOM 691 CD2 PHE A 103 -8.741 -6.668 -4.154 1.00 0.00 C ATOM 692 CE1 PHE A 103 -8.636 -6.853 -1.403 1.00 0.00 C ATOM 693 CE2 PHE A 103 -9.798 -7.226 -3.460 1.00 0.00 C ATOM 694 CZ PHE A 103 -9.746 -7.317 -2.083 1.00 0.00 C ATOM 0 H PHE A 103 -3.894 -5.558 -2.934 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.529 -7.515 -4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.221 -4.631 -3.795 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.791 -5.393 -5.266 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -6.719 -5.931 -1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.787 -6.598 -5.231 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.591 -6.926 -0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.663 -7.590 -3.994 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.572 -7.750 -1.538 1.00 0.00 H new ATOM 704 N ILE A 104 -4.179 -6.987 -6.395 1.00 0.00 N ATOM 705 CA ILE A 104 -3.351 -6.731 -7.567 1.00 0.00 C ATOM 706 C ILE A 104 -4.123 -7.002 -8.854 1.00 0.00 C ATOM 707 O ILE A 104 -4.511 -8.137 -9.131 1.00 0.00 O ATOM 708 CB ILE A 104 -2.076 -7.595 -7.554 1.00 0.00 C ATOM 709 CG1 ILE A 104 -1.315 -7.400 -6.241 1.00 0.00 C ATOM 710 CG2 ILE A 104 -1.191 -7.249 -8.742 1.00 0.00 C ATOM 711 CD1 ILE A 104 -0.182 -8.383 -6.048 1.00 0.00 C ATOM 0 H ILE A 104 -4.618 -7.908 -6.381 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.067 -5.679 -7.531 1.00 0.00 H new ATOM 0 HB ILE A 104 -2.364 -8.643 -7.633 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.915 -6.386 -6.209 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.013 -7.494 -5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.294 -7.867 -8.720 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -1.736 -7.434 -9.668 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.908 -6.198 -8.691 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.313 -8.186 -5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -0.578 -9.399 -6.047 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.537 -8.274 -6.860 1.00 0.00 H new ATOM 723 N HIS A 105 -4.339 -5.952 -9.640 1.00 0.00 N ATOM 724 CA HIS A 105 -5.062 -6.076 -10.900 1.00 0.00 C ATOM 725 C HIS A 105 -4.112 -5.945 -12.087 1.00 0.00 C ATOM 726 O HIS A 105 -3.409 -4.944 -12.226 1.00 0.00 O ATOM 727 CB HIS A 105 -6.158 -5.014 -10.991 1.00 0.00 C ATOM 728 CG HIS A 105 -7.326 -5.429 -11.832 1.00 0.00 C ATOM 729 ND1 HIS A 105 -7.995 -4.563 -12.671 1.00 0.00 N ATOM 730 CD2 HIS A 105 -7.942 -6.627 -11.962 1.00 0.00 C ATOM 731 CE1 HIS A 105 -8.973 -5.209 -13.279 1.00 0.00 C ATOM 732 NE2 HIS A 105 -8.963 -6.464 -12.867 1.00 0.00 N ATOM 0 H HIS A 105 -4.024 -5.006 -9.426 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.521 -7.064 -10.931 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -6.509 -4.779 -9.986 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -5.732 -4.098 -11.402 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -7.680 -7.541 -11.450 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -9.664 -4.784 -13.992 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -9.608 -7.193 -13.171 1.00 0.00 H new ATOM 740 N LYS A 106 -4.094 -6.964 -12.939 1.00 0.00 N ATOM 741 CA LYS A 106 -3.231 -6.964 -14.115 1.00 0.00 C ATOM 742 C LYS A 106 -3.894 -6.233 -15.277 1.00 0.00 C ATOM 743 O LYS A 106 -3.241 -5.490 -16.010 1.00 0.00 O ATOM 744 CB LYS A 106 -2.895 -8.399 -14.526 1.00 0.00 C ATOM 745 CG LYS A 106 -4.112 -9.223 -14.909 1.00 0.00 C ATOM 746 CD LYS A 106 -3.783 -10.705 -14.979 1.00 0.00 C ATOM 747 CE LYS A 106 -4.963 -11.514 -15.494 1.00 0.00 C ATOM 748 NZ LYS A 106 -4.621 -12.954 -15.653 1.00 0.00 N ATOM 0 H LYS A 106 -4.668 -7.801 -12.837 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.310 -6.441 -13.859 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -2.204 -8.374 -15.368 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -2.377 -8.892 -13.703 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -4.907 -9.060 -14.181 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.490 -8.887 -15.875 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -2.923 -10.858 -15.632 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -3.499 -11.063 -13.989 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.801 -11.414 -14.804 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.289 -11.110 -16.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.451 -13.471 -16.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -3.838 -13.052 -16.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -4.334 -13.346 -14.734 1.00 0.00 H new ATOM 762 N ASP A 107 -5.195 -6.447 -15.439 1.00 0.00 N ATOM 763 CA ASP A 107 -5.948 -5.806 -16.511 1.00 0.00 C ATOM 764 C ASP A 107 -5.688 -4.303 -16.535 1.00 0.00 C ATOM 765 O ASP A 107 -5.540 -3.703 -17.600 1.00 0.00 O ATOM 766 CB ASP A 107 -7.444 -6.074 -16.344 1.00 0.00 C ATOM 767 CG ASP A 107 -7.772 -7.554 -16.363 1.00 0.00 C ATOM 768 OD1 ASP A 107 -7.668 -8.198 -15.298 1.00 0.00 O ATOM 769 OD2 ASP A 107 -8.133 -8.069 -17.442 1.00 0.00 O ATOM 0 H ASP A 107 -5.750 -7.059 -14.842 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.614 -6.230 -17.458 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.785 -5.641 -15.404 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.991 -5.573 -17.142 1.00 0.00 H new ATOM 774 N LYS A 108 -5.633 -3.699 -15.353 1.00 0.00 N ATOM 775 CA LYS A 108 -5.391 -2.266 -15.236 1.00 0.00 C ATOM 776 C LYS A 108 -3.930 -1.987 -14.896 1.00 0.00 C ATOM 777 O LYS A 108 -3.387 -0.944 -15.258 1.00 0.00 O ATOM 778 CB LYS A 108 -6.299 -1.659 -14.164 1.00 0.00 C ATOM 779 CG LYS A 108 -7.727 -1.436 -14.632 1.00 0.00 C ATOM 780 CD LYS A 108 -7.860 -0.143 -15.419 1.00 0.00 C ATOM 781 CE LYS A 108 -8.000 1.059 -14.497 1.00 0.00 C ATOM 782 NZ LYS A 108 -7.433 2.294 -15.105 1.00 0.00 N ATOM 0 H LYS A 108 -5.753 -4.180 -14.462 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.617 -1.806 -16.198 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.309 -2.315 -13.294 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.879 -0.707 -13.840 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -8.043 -2.275 -15.252 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.393 -1.409 -13.770 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.986 -0.013 -16.058 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.728 -0.203 -16.075 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.053 1.219 -14.266 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.494 0.854 -13.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.548 3.090 -14.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -6.422 2.151 -15.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.932 2.505 -15.993 1.00 0.00 H new ATOM 796 N GLY A 109 -3.299 -2.927 -14.199 1.00 0.00 N ATOM 797 CA GLY A 109 -1.907 -2.764 -13.824 1.00 0.00 C ATOM 798 C GLY A 109 -1.736 -1.891 -12.596 1.00 0.00 C ATOM 799 O GLY A 109 -0.956 -0.939 -12.606 1.00 0.00 O ATOM 0 H GLY A 109 -3.727 -3.799 -13.887 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.468 -3.743 -13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.358 -2.325 -14.657 1.00 0.00 H new ATOM 803 N PHE A 110 -2.468 -2.215 -11.535 1.00 0.00 N ATOM 804 CA PHE A 110 -2.396 -1.452 -10.295 1.00 0.00 C ATOM 805 C PHE A 110 -2.615 -2.357 -9.086 1.00 0.00 C ATOM 806 O PHE A 110 -3.331 -3.355 -9.165 1.00 0.00 O ATOM 807 CB PHE A 110 -3.436 -0.330 -10.300 1.00 0.00 C ATOM 808 CG PHE A 110 -3.023 0.867 -11.109 1.00 0.00 C ATOM 809 CD1 PHE A 110 -1.823 1.511 -10.854 1.00 0.00 C ATOM 810 CD2 PHE A 110 -3.834 1.347 -12.124 1.00 0.00 C ATOM 811 CE1 PHE A 110 -1.440 2.612 -11.596 1.00 0.00 C ATOM 812 CE2 PHE A 110 -3.457 2.448 -12.870 1.00 0.00 C ATOM 813 CZ PHE A 110 -2.258 3.081 -12.606 1.00 0.00 C ATOM 0 H PHE A 110 -3.118 -3.001 -11.509 1.00 0.00 H new ATOM 0 HA PHE A 110 -1.400 -1.015 -10.225 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.375 -0.718 -10.694 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.626 -0.017 -9.273 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.179 1.148 -10.066 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.772 0.855 -12.335 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.502 3.105 -11.387 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.099 2.813 -13.658 1.00 0.00 H new ATOM 0 HZ PHE A 110 -1.960 3.941 -13.188 1.00 0.00 H new ATOM 823 N GLY A 111 -1.991 -2.002 -7.967 1.00 0.00 N ATOM 824 CA GLY A 111 -2.128 -2.792 -6.758 1.00 0.00 C ATOM 825 C GLY A 111 -2.263 -1.933 -5.516 1.00 0.00 C ATOM 826 O GLY A 111 -1.528 -0.961 -5.342 1.00 0.00 O ATOM 0 H GLY A 111 -1.393 -1.181 -7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.002 -3.437 -6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.260 -3.443 -6.653 1.00 0.00 H new ATOM 830 N PHE A 112 -3.206 -2.291 -4.650 1.00 0.00 N ATOM 831 CA PHE A 112 -3.436 -1.544 -3.419 1.00 0.00 C ATOM 832 C PHE A 112 -3.223 -2.432 -2.197 1.00 0.00 C ATOM 833 O PHE A 112 -3.743 -3.546 -2.127 1.00 0.00 O ATOM 834 CB PHE A 112 -4.854 -0.969 -3.405 1.00 0.00 C ATOM 835 CG PHE A 112 -5.218 -0.239 -4.667 1.00 0.00 C ATOM 836 CD1 PHE A 112 -5.339 -0.921 -5.867 1.00 0.00 C ATOM 837 CD2 PHE A 112 -5.438 1.129 -4.653 1.00 0.00 C ATOM 838 CE1 PHE A 112 -5.674 -0.253 -7.029 1.00 0.00 C ATOM 839 CE2 PHE A 112 -5.774 1.802 -5.812 1.00 0.00 C ATOM 840 CZ PHE A 112 -5.890 1.110 -7.002 1.00 0.00 C ATOM 0 H PHE A 112 -3.823 -3.093 -4.778 1.00 0.00 H new ATOM 0 HA PHE A 112 -2.718 -0.725 -3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.565 -1.780 -3.246 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -4.953 -0.288 -2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.169 -1.987 -5.894 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.346 1.675 -3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.767 -0.797 -7.958 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -5.946 2.868 -5.788 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.149 1.635 -7.910 1.00 0.00 H new ATOM 850 N ILE A 113 -2.456 -1.930 -1.235 1.00 0.00 N ATOM 851 CA ILE A 113 -2.174 -2.676 -0.015 1.00 0.00 C ATOM 852 C ILE A 113 -2.680 -1.931 1.215 1.00 0.00 C ATOM 853 O ILE A 113 -2.649 -0.701 1.264 1.00 0.00 O ATOM 854 CB ILE A 113 -0.666 -2.944 0.145 1.00 0.00 C ATOM 855 CG1 ILE A 113 -0.399 -3.723 1.435 1.00 0.00 C ATOM 856 CG2 ILE A 113 0.108 -1.634 0.141 1.00 0.00 C ATOM 857 CD1 ILE A 113 0.880 -4.530 1.399 1.00 0.00 C ATOM 0 H ILE A 113 -2.019 -1.009 -1.277 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.697 -3.629 -0.100 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.327 -3.546 -0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.355 -3.024 2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.237 -4.393 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.172 -1.840 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.062 -1.114 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.231 -1.009 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.005 -5.056 2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.831 -5.254 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.727 -3.863 1.240 1.00 0.00 H new ATOM 869 N ARG A 114 -3.146 -2.683 2.206 1.00 0.00 N ATOM 870 CA ARG A 114 -3.658 -2.094 3.437 1.00 0.00 C ATOM 871 C ARG A 114 -2.921 -2.648 4.653 1.00 0.00 C ATOM 872 O ARG A 114 -3.046 -3.828 4.984 1.00 0.00 O ATOM 873 CB ARG A 114 -5.158 -2.362 3.570 1.00 0.00 C ATOM 874 CG ARG A 114 -5.843 -1.492 4.611 1.00 0.00 C ATOM 875 CD ARG A 114 -5.739 -2.099 6.001 1.00 0.00 C ATOM 876 NE ARG A 114 -6.507 -3.336 6.118 1.00 0.00 N ATOM 877 CZ ARG A 114 -6.905 -3.847 7.277 1.00 0.00 C ATOM 878 NH1 ARG A 114 -6.609 -3.232 8.414 1.00 0.00 N ATOM 879 NH2 ARG A 114 -7.601 -4.977 7.301 1.00 0.00 N ATOM 0 H ARG A 114 -3.180 -3.702 2.180 1.00 0.00 H new ATOM 0 HA ARG A 114 -3.491 -1.018 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -5.634 -2.200 2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.310 -3.410 3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -5.392 -0.500 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.893 -1.364 4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.693 -2.299 6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -6.096 -1.380 6.738 1.00 0.00 H new ATOM 0 HE ARG A 114 -6.751 -3.835 5.262 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -6.074 -2.364 8.400 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -6.916 -3.627 9.303 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -7.830 -5.453 6.429 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -7.906 -5.369 8.192 1.00 0.00 H new ATOM 893 N LEU A 115 -2.153 -1.789 5.315 1.00 0.00 N ATOM 894 CA LEU A 115 -1.396 -2.192 6.495 1.00 0.00 C ATOM 895 C LEU A 115 -2.234 -2.038 7.759 1.00 0.00 C ATOM 896 O LEU A 115 -3.263 -1.363 7.754 1.00 0.00 O ATOM 897 CB LEU A 115 -0.117 -1.361 6.612 1.00 0.00 C ATOM 898 CG LEU A 115 0.720 -1.234 5.339 1.00 0.00 C ATOM 899 CD1 LEU A 115 1.851 -0.237 5.541 1.00 0.00 C ATOM 900 CD2 LEU A 115 1.271 -2.591 4.925 1.00 0.00 C ATOM 0 H LEU A 115 -2.038 -0.809 5.055 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.130 -3.243 6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.388 -0.359 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.507 -1.799 7.391 1.00 0.00 H new ATOM 0 HG LEU A 115 0.077 -0.866 4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.436 -0.160 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.435 0.739 5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.493 -0.575 6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.864 -2.481 4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.899 -2.988 5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.445 -3.277 4.738 1.00 0.00 H new ATOM 912 N GLU A 116 -1.786 -2.667 8.841 1.00 0.00 N ATOM 913 CA GLU A 116 -2.495 -2.598 10.113 1.00 0.00 C ATOM 914 C GLU A 116 -2.297 -1.236 10.773 1.00 0.00 C ATOM 915 O GLU A 116 -3.235 -0.445 10.884 1.00 0.00 O ATOM 916 CB GLU A 116 -2.013 -3.706 11.052 1.00 0.00 C ATOM 917 CG GLU A 116 -2.841 -3.833 12.320 1.00 0.00 C ATOM 918 CD GLU A 116 -2.051 -4.410 13.478 1.00 0.00 C ATOM 919 OE1 GLU A 116 -0.947 -3.898 13.757 1.00 0.00 O ATOM 920 OE2 GLU A 116 -2.537 -5.374 14.105 1.00 0.00 O ATOM 0 H GLU A 116 -0.936 -3.230 8.862 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.558 -2.736 9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -2.033 -4.656 10.519 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.975 -3.514 11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.223 -2.851 12.599 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.705 -4.467 12.123 1.00 0.00 H new ATOM 927 N THR A 117 -1.070 -0.969 11.210 1.00 0.00 N ATOM 928 CA THR A 117 -0.749 0.295 11.860 1.00 0.00 C ATOM 929 C THR A 117 -0.411 1.371 10.834 1.00 0.00 C ATOM 930 O THR A 117 -0.337 1.097 9.636 1.00 0.00 O ATOM 931 CB THR A 117 0.434 0.141 12.834 1.00 0.00 C ATOM 932 OG1 THR A 117 1.595 -0.310 12.128 1.00 0.00 O ATOM 933 CG2 THR A 117 0.096 -0.842 13.944 1.00 0.00 C ATOM 0 H THR A 117 -0.282 -1.612 11.125 1.00 0.00 H new ATOM 0 HA THR A 117 -1.634 0.596 12.420 1.00 0.00 H new ATOM 0 HB THR A 117 0.637 1.114 13.281 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.231 -0.704 12.761 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.946 -0.934 14.620 1.00 0.00 H new ATOM 0 HG22 THR A 117 -0.770 -0.481 14.498 1.00 0.00 H new ATOM 0 HG23 THR A 117 -0.131 -1.816 13.511 1.00 0.00 H new ATOM 941 N ARG A 118 -0.205 2.594 11.311 1.00 0.00 N ATOM 942 CA ARG A 118 0.126 3.711 10.434 1.00 0.00 C ATOM 943 C ARG A 118 1.637 3.884 10.322 1.00 0.00 C ATOM 944 O ARG A 118 2.180 4.003 9.223 1.00 0.00 O ATOM 945 CB ARG A 118 -0.510 5.001 10.955 1.00 0.00 C ATOM 946 CG ARG A 118 0.024 5.439 12.310 1.00 0.00 C ATOM 947 CD ARG A 118 -0.866 6.496 12.944 1.00 0.00 C ATOM 948 NE ARG A 118 -0.153 7.283 13.946 1.00 0.00 N ATOM 949 CZ ARG A 118 -0.550 8.481 14.359 1.00 0.00 C ATOM 950 NH1 ARG A 118 -1.649 9.028 13.859 1.00 0.00 N ATOM 951 NH2 ARG A 118 0.153 9.135 15.275 1.00 0.00 N ATOM 0 H ARG A 118 -0.261 2.837 12.300 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.271 3.493 9.443 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -0.339 5.798 10.232 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -1.589 4.861 11.027 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.093 4.575 12.972 1.00 0.00 H new ATOM 0 HG3 ARG A 118 1.034 5.833 12.194 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -1.250 7.159 12.169 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -1.727 6.014 13.407 1.00 0.00 H new ATOM 0 HE ARG A 118 0.697 6.891 14.351 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -2.192 8.529 13.155 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -1.951 9.948 14.178 1.00 0.00 H new ATOM 0 HH21 ARG A 118 0.999 8.718 15.662 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -0.153 10.055 15.592 1.00 0.00 H new ATOM 965 N THR A 119 2.313 3.899 11.466 1.00 0.00 N ATOM 966 CA THR A 119 3.761 4.060 11.497 1.00 0.00 C ATOM 967 C THR A 119 4.427 3.256 10.386 1.00 0.00 C ATOM 968 O THR A 119 5.372 3.724 9.749 1.00 0.00 O ATOM 969 CB THR A 119 4.347 3.623 12.853 1.00 0.00 C ATOM 970 OG1 THR A 119 3.705 4.336 13.916 1.00 0.00 O ATOM 971 CG2 THR A 119 5.847 3.873 12.901 1.00 0.00 C ATOM 0 H THR A 119 1.880 3.801 12.384 1.00 0.00 H new ATOM 0 HA THR A 119 3.964 5.120 11.347 1.00 0.00 H new ATOM 0 HB THR A 119 4.169 2.554 12.973 1.00 0.00 H new ATOM 0 HG1 THR A 119 4.082 4.052 14.775 1.00 0.00 H new ATOM 0 HG21 THR A 119 6.238 3.557 13.868 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.336 3.306 12.109 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.043 4.936 12.761 1.00 0.00 H new ATOM 979 N LEU A 120 3.930 2.046 10.158 1.00 0.00 N ATOM 980 CA LEU A 120 4.477 1.176 9.123 1.00 0.00 C ATOM 981 C LEU A 120 4.217 1.753 7.735 1.00 0.00 C ATOM 982 O LEU A 120 5.047 1.629 6.835 1.00 0.00 O ATOM 983 CB LEU A 120 3.868 -0.223 9.229 1.00 0.00 C ATOM 984 CG LEU A 120 4.279 -1.043 10.453 1.00 0.00 C ATOM 985 CD1 LEU A 120 3.752 -2.465 10.343 1.00 0.00 C ATOM 986 CD2 LEU A 120 5.792 -1.043 10.610 1.00 0.00 C ATOM 0 H LEU A 120 3.149 1.645 10.676 1.00 0.00 H new ATOM 0 HA LEU A 120 5.555 1.107 9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.782 -0.126 9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.137 -0.784 8.334 1.00 0.00 H new ATOM 0 HG LEU A 120 3.842 -0.583 11.339 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.054 -3.034 11.222 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.664 -2.446 10.279 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.160 -2.936 9.449 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.067 -1.631 11.486 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.250 -1.479 9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.145 -0.019 10.735 1.00 0.00 H new ATOM 998 N ALA A 121 3.059 2.384 7.569 1.00 0.00 N ATOM 999 CA ALA A 121 2.691 2.983 6.292 1.00 0.00 C ATOM 1000 C ALA A 121 3.619 4.142 5.942 1.00 0.00 C ATOM 1001 O ALA A 121 4.012 4.306 4.788 1.00 0.00 O ATOM 1002 CB ALA A 121 1.245 3.455 6.328 1.00 0.00 C ATOM 0 H ALA A 121 2.360 2.494 8.303 1.00 0.00 H new ATOM 0 HA ALA A 121 2.794 2.222 5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.984 3.900 5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 121 0.590 2.606 6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.124 4.197 7.117 1.00 0.00 H new ATOM 1008 N GLU A 122 3.963 4.943 6.946 1.00 0.00 N ATOM 1009 CA GLU A 122 4.843 6.087 6.742 1.00 0.00 C ATOM 1010 C GLU A 122 6.243 5.632 6.339 1.00 0.00 C ATOM 1011 O GLU A 122 6.731 5.972 5.261 1.00 0.00 O ATOM 1012 CB GLU A 122 4.917 6.935 8.014 1.00 0.00 C ATOM 1013 CG GLU A 122 3.634 7.688 8.319 1.00 0.00 C ATOM 1014 CD GLU A 122 3.695 8.436 9.637 1.00 0.00 C ATOM 1015 OE1 GLU A 122 4.254 9.552 9.659 1.00 0.00 O ATOM 1016 OE2 GLU A 122 3.185 7.905 10.645 1.00 0.00 O ATOM 0 H GLU A 122 3.646 4.821 7.908 1.00 0.00 H new ATOM 0 HA GLU A 122 4.430 6.691 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.158 6.289 8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 122 5.734 7.650 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.432 8.394 7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.801 6.985 8.343 1.00 0.00 H new ATOM 1023 N ILE A 123 6.883 4.862 7.213 1.00 0.00 N ATOM 1024 CA ILE A 123 8.225 4.360 6.948 1.00 0.00 C ATOM 1025 C ILE A 123 8.310 3.718 5.567 1.00 0.00 C ATOM 1026 O ILE A 123 9.224 4.003 4.794 1.00 0.00 O ATOM 1027 CB ILE A 123 8.661 3.331 8.008 1.00 0.00 C ATOM 1028 CG1 ILE A 123 8.624 3.958 9.403 1.00 0.00 C ATOM 1029 CG2 ILE A 123 10.053 2.804 7.694 1.00 0.00 C ATOM 1030 CD1 ILE A 123 8.778 2.951 10.522 1.00 0.00 C ATOM 0 H ILE A 123 6.494 4.573 8.110 1.00 0.00 H new ATOM 0 HA ILE A 123 8.896 5.218 6.989 1.00 0.00 H new ATOM 0 HB ILE A 123 7.964 2.493 7.988 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.419 4.700 9.480 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.680 4.488 9.529 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.347 2.078 8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 123 10.048 2.325 6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.763 3.631 7.690 1.00 0.00 H new ATOM 0 HD11 ILE A 123 8.742 3.466 11.482 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.968 2.223 10.470 1.00 0.00 H new ATOM 0 HD13 ILE A 123 9.734 2.438 10.421 1.00 0.00 H new ATOM 1042 N ALA A 124 7.349 2.851 5.264 1.00 0.00 N ATOM 1043 CA ALA A 124 7.312 2.171 3.975 1.00 0.00 C ATOM 1044 C ALA A 124 6.914 3.131 2.859 1.00 0.00 C ATOM 1045 O ALA A 124 7.369 3.001 1.723 1.00 0.00 O ATOM 1046 CB ALA A 124 6.352 0.993 4.028 1.00 0.00 C ATOM 0 H ALA A 124 6.586 2.603 5.894 1.00 0.00 H new ATOM 0 HA ALA A 124 8.314 1.800 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.334 0.494 3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.682 0.289 4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 124 5.351 1.350 4.271 1.00 0.00 H new ATOM 1052 N LYS A 125 6.062 4.095 3.191 1.00 0.00 N ATOM 1053 CA LYS A 125 5.602 5.079 2.217 1.00 0.00 C ATOM 1054 C LYS A 125 6.781 5.826 1.601 1.00 0.00 C ATOM 1055 O LYS A 125 6.790 6.112 0.403 1.00 0.00 O ATOM 1056 CB LYS A 125 4.644 6.072 2.878 1.00 0.00 C ATOM 1057 CG LYS A 125 4.650 7.446 2.230 1.00 0.00 C ATOM 1058 CD LYS A 125 4.079 7.401 0.822 1.00 0.00 C ATOM 1059 CE LYS A 125 3.493 8.744 0.415 1.00 0.00 C ATOM 1060 NZ LYS A 125 3.596 8.972 -1.052 1.00 0.00 N ATOM 0 H LYS A 125 5.676 4.216 4.127 1.00 0.00 H new ATOM 0 HA LYS A 125 5.075 4.549 1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.633 5.667 2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 125 4.909 6.175 3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 125 4.068 8.138 2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.670 7.830 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 125 4.862 7.117 0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 125 3.307 6.634 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.447 8.790 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.013 9.543 0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.746 9.469 -1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.437 9.549 -1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 3.677 8.058 -1.541 1.00 0.00 H new ATOM 1074 N VAL A 126 7.774 6.140 2.427 1.00 0.00 N ATOM 1075 CA VAL A 126 8.958 6.852 1.963 1.00 0.00 C ATOM 1076 C VAL A 126 10.028 5.881 1.475 1.00 0.00 C ATOM 1077 O VAL A 126 10.679 6.119 0.459 1.00 0.00 O ATOM 1078 CB VAL A 126 9.553 7.737 3.074 1.00 0.00 C ATOM 1079 CG1 VAL A 126 10.940 8.224 2.685 1.00 0.00 C ATOM 1080 CG2 VAL A 126 8.631 8.910 3.371 1.00 0.00 C ATOM 0 H VAL A 126 7.782 5.912 3.421 1.00 0.00 H new ATOM 0 HA VAL A 126 8.641 7.486 1.135 1.00 0.00 H new ATOM 0 HB VAL A 126 9.646 7.138 3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 126 11.344 8.848 3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.595 7.367 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.877 8.806 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.067 9.525 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 126 8.504 9.510 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 126 7.661 8.536 3.698 1.00 0.00 H new ATOM 1090 N GLU A 127 10.202 4.785 2.207 1.00 0.00 N ATOM 1091 CA GLU A 127 11.193 3.777 1.849 1.00 0.00 C ATOM 1092 C GLU A 127 10.858 3.138 0.504 1.00 0.00 C ATOM 1093 O GLU A 127 11.643 3.209 -0.443 1.00 0.00 O ATOM 1094 CB GLU A 127 11.273 2.700 2.932 1.00 0.00 C ATOM 1095 CG GLU A 127 12.113 3.104 4.132 1.00 0.00 C ATOM 1096 CD GLU A 127 13.591 3.193 3.805 1.00 0.00 C ATOM 1097 OE1 GLU A 127 14.025 4.252 3.306 1.00 0.00 O ATOM 1098 OE2 GLU A 127 14.314 2.204 4.049 1.00 0.00 O ATOM 0 H GLU A 127 9.670 4.573 3.051 1.00 0.00 H new ATOM 0 HA GLU A 127 12.161 4.271 1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.265 2.460 3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.689 1.791 2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.768 4.069 4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.965 2.381 4.934 1.00 0.00 H new ATOM 1105 N LEU A 128 9.687 2.515 0.428 1.00 0.00 N ATOM 1106 CA LEU A 128 9.246 1.862 -0.800 1.00 0.00 C ATOM 1107 C LEU A 128 9.085 2.876 -1.928 1.00 0.00 C ATOM 1108 O LEU A 128 9.400 2.590 -3.083 1.00 0.00 O ATOM 1109 CB LEU A 128 7.924 1.130 -0.565 1.00 0.00 C ATOM 1110 CG LEU A 128 7.986 -0.085 0.362 1.00 0.00 C ATOM 1111 CD1 LEU A 128 6.586 -0.599 0.661 1.00 0.00 C ATOM 1112 CD2 LEU A 128 8.840 -1.183 -0.254 1.00 0.00 C ATOM 0 H LEU A 128 9.026 2.448 1.202 1.00 0.00 H new ATOM 0 HA LEU A 128 10.008 1.139 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.207 1.840 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.534 0.806 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 128 8.447 0.221 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 128 6.649 -1.464 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 128 6.006 0.186 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 128 6.098 -0.889 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 128 8.873 -2.039 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.409 -1.488 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.851 -0.810 -0.416 1.00 0.00 H new ATOM 1124 N ASP A 129 8.596 4.063 -1.585 1.00 0.00 N ATOM 1125 CA ASP A 129 8.396 5.121 -2.568 1.00 0.00 C ATOM 1126 C ASP A 129 9.636 5.294 -3.439 1.00 0.00 C ATOM 1127 O ASP A 129 10.753 5.392 -2.933 1.00 0.00 O ATOM 1128 CB ASP A 129 8.061 6.439 -1.868 1.00 0.00 C ATOM 1129 CG ASP A 129 8.538 7.647 -2.650 1.00 0.00 C ATOM 1130 OD1 ASP A 129 9.768 7.850 -2.737 1.00 0.00 O ATOM 1131 OD2 ASP A 129 7.683 8.390 -3.175 1.00 0.00 O ATOM 0 H ASP A 129 8.331 4.316 -0.633 1.00 0.00 H new ATOM 0 HA ASP A 129 7.561 4.836 -3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.983 6.506 -1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.517 6.447 -0.878 1.00 0.00 H new ATOM 1136 N ASN A 130 9.430 5.330 -4.752 1.00 0.00 N ATOM 1137 CA ASN A 130 10.532 5.490 -5.694 1.00 0.00 C ATOM 1138 C ASN A 130 11.534 4.348 -5.558 1.00 0.00 C ATOM 1139 O ASN A 130 12.731 4.576 -5.388 1.00 0.00 O ATOM 1140 CB ASN A 130 11.235 6.830 -5.467 1.00 0.00 C ATOM 1141 CG ASN A 130 10.355 8.012 -5.825 1.00 0.00 C ATOM 1142 OD1 ASN A 130 9.307 8.227 -5.216 1.00 0.00 O ATOM 1143 ND2 ASN A 130 10.779 8.785 -6.818 1.00 0.00 N ATOM 0 H ASN A 130 8.511 5.251 -5.187 1.00 0.00 H new ATOM 0 HA ASN A 130 10.120 5.470 -6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 130 11.535 6.907 -4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 130 12.146 6.865 -6.064 1.00 0.00 H new ATOM 0 HD21 ASN A 130 10.229 9.595 -7.104 1.00 0.00 H new ATOM 0 HD22 ASN A 130 11.654 8.569 -7.295 1.00 0.00 H new ATOM 1150 N MET A 131 11.036 3.118 -5.634 1.00 0.00 N ATOM 1151 CA MET A 131 11.888 1.940 -5.521 1.00 0.00 C ATOM 1152 C MET A 131 11.881 1.138 -6.818 1.00 0.00 C ATOM 1153 O MET A 131 10.829 0.813 -7.370 1.00 0.00 O ATOM 1154 CB MET A 131 11.424 1.058 -4.360 1.00 0.00 C ATOM 1155 CG MET A 131 12.314 -0.151 -4.122 1.00 0.00 C ATOM 1156 SD MET A 131 11.655 -1.261 -2.864 1.00 0.00 S ATOM 1157 CE MET A 131 10.663 -2.362 -3.870 1.00 0.00 C ATOM 0 H MET A 131 10.047 2.911 -5.773 1.00 0.00 H new ATOM 0 HA MET A 131 12.907 2.276 -5.328 1.00 0.00 H new ATOM 0 HB2 MET A 131 11.389 1.658 -3.450 1.00 0.00 H new ATOM 0 HB3 MET A 131 10.407 0.717 -4.557 1.00 0.00 H new ATOM 0 HG2 MET A 131 12.434 -0.698 -5.057 1.00 0.00 H new ATOM 0 HG3 MET A 131 13.306 0.186 -3.820 1.00 0.00 H new ATOM 0 HE1 MET A 131 9.606 -2.158 -3.699 1.00 0.00 H new ATOM 0 HE2 MET A 131 10.897 -2.203 -4.923 1.00 0.00 H new ATOM 0 HE3 MET A 131 10.881 -3.396 -3.602 1.00 0.00 H new ATOM 1167 N PRO A 132 13.082 0.809 -7.318 1.00 0.00 N ATOM 1168 CA PRO A 132 13.240 0.040 -8.557 1.00 0.00 C ATOM 1169 C PRO A 132 12.800 -1.411 -8.398 1.00 0.00 C ATOM 1170 O PRO A 132 13.232 -2.104 -7.477 1.00 0.00 O ATOM 1171 CB PRO A 132 14.744 0.116 -8.831 1.00 0.00 C ATOM 1172 CG PRO A 132 15.362 0.338 -7.494 1.00 0.00 C ATOM 1173 CD PRO A 132 14.377 1.162 -6.713 1.00 0.00 C ATOM 0 HA PRO A 132 12.625 0.436 -9.365 1.00 0.00 H new ATOM 0 HB2 PRO A 132 15.110 -0.803 -9.289 1.00 0.00 H new ATOM 0 HB3 PRO A 132 14.981 0.930 -9.517 1.00 0.00 H new ATOM 0 HG2 PRO A 132 15.561 -0.610 -6.994 1.00 0.00 H new ATOM 0 HG3 PRO A 132 16.317 0.856 -7.587 1.00 0.00 H new ATOM 0 HD2 PRO A 132 14.404 0.920 -5.651 1.00 0.00 H new ATOM 0 HD3 PRO A 132 14.585 2.228 -6.802 1.00 0.00 H new ATOM 1181 N LEU A 133 11.938 -1.865 -9.302 1.00 0.00 N ATOM 1182 CA LEU A 133 11.439 -3.235 -9.262 1.00 0.00 C ATOM 1183 C LEU A 133 11.522 -3.884 -10.640 1.00 0.00 C ATOM 1184 O LEU A 133 10.659 -3.670 -11.491 1.00 0.00 O ATOM 1185 CB LEU A 133 9.994 -3.259 -8.761 1.00 0.00 C ATOM 1186 CG LEU A 133 9.376 -4.643 -8.559 1.00 0.00 C ATOM 1187 CD1 LEU A 133 9.937 -5.300 -7.307 1.00 0.00 C ATOM 1188 CD2 LEU A 133 7.860 -4.543 -8.478 1.00 0.00 C ATOM 0 H LEU A 133 11.571 -1.305 -10.071 1.00 0.00 H new ATOM 0 HA LEU A 133 12.065 -3.803 -8.574 1.00 0.00 H new ATOM 0 HB2 LEU A 133 9.950 -2.722 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 133 9.376 -2.707 -9.469 1.00 0.00 H new ATOM 0 HG LEU A 133 9.634 -5.264 -9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 133 9.486 -6.284 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 133 11.017 -5.406 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 133 9.710 -4.681 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.437 -5.537 -8.334 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.582 -3.905 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.474 -4.115 -9.403 1.00 0.00 H new ATOM 1200 N ARG A 134 12.565 -4.680 -10.852 1.00 0.00 N ATOM 1201 CA ARG A 134 12.761 -5.362 -12.126 1.00 0.00 C ATOM 1202 C ARG A 134 12.938 -4.355 -13.259 1.00 0.00 C ATOM 1203 O ARG A 134 12.559 -4.616 -14.400 1.00 0.00 O ATOM 1204 CB ARG A 134 11.573 -6.278 -12.425 1.00 0.00 C ATOM 1205 CG ARG A 134 11.599 -7.583 -11.646 1.00 0.00 C ATOM 1206 CD ARG A 134 10.256 -8.294 -11.704 1.00 0.00 C ATOM 1207 NE ARG A 134 10.152 -9.175 -12.864 1.00 0.00 N ATOM 1208 CZ ARG A 134 9.828 -8.752 -14.081 1.00 0.00 C ATOM 1209 NH1 ARG A 134 9.576 -7.468 -14.295 1.00 0.00 N ATOM 1210 NH2 ARG A 134 9.754 -9.615 -15.086 1.00 0.00 N ATOM 0 H ARG A 134 13.288 -4.869 -10.157 1.00 0.00 H new ATOM 0 HA ARG A 134 13.667 -5.964 -12.053 1.00 0.00 H new ATOM 0 HB2 ARG A 134 10.649 -5.747 -12.197 1.00 0.00 H new ATOM 0 HB3 ARG A 134 11.557 -6.502 -13.492 1.00 0.00 H new ATOM 0 HG2 ARG A 134 12.374 -8.234 -12.050 1.00 0.00 H new ATOM 0 HG3 ARG A 134 11.861 -7.383 -10.607 1.00 0.00 H new ATOM 0 HD2 ARG A 134 10.114 -8.876 -10.793 1.00 0.00 H new ATOM 0 HD3 ARG A 134 9.456 -7.555 -11.738 1.00 0.00 H new ATOM 0 HE ARG A 134 10.338 -10.169 -12.733 1.00 0.00 H new ATOM 0 HH11 ARG A 134 9.631 -6.802 -13.524 1.00 0.00 H new ATOM 0 HH12 ARG A 134 9.328 -7.146 -15.230 1.00 0.00 H new ATOM 0 HH21 ARG A 134 9.946 -10.604 -14.924 1.00 0.00 H new ATOM 0 HH22 ARG A 134 9.505 -9.290 -16.020 1.00 0.00 H new ATOM 1224 N GLY A 135 13.518 -3.203 -12.935 1.00 0.00 N ATOM 1225 CA GLY A 135 13.736 -2.175 -13.936 1.00 0.00 C ATOM 1226 C GLY A 135 12.611 -1.161 -13.979 1.00 0.00 C ATOM 1227 O GLY A 135 12.745 -0.097 -14.585 1.00 0.00 O ATOM 0 H GLY A 135 13.841 -2.964 -11.997 1.00 0.00 H new ATOM 0 HA2 GLY A 135 14.675 -1.663 -13.728 1.00 0.00 H new ATOM 0 HA3 GLY A 135 13.838 -2.642 -14.916 1.00 0.00 H new ATOM 1231 N LYS A 136 11.495 -1.489 -13.335 1.00 0.00 N ATOM 1232 CA LYS A 136 10.341 -0.599 -13.301 1.00 0.00 C ATOM 1233 C LYS A 136 10.424 0.356 -12.115 1.00 0.00 C ATOM 1234 O LYS A 136 11.167 0.114 -11.164 1.00 0.00 O ATOM 1235 CB LYS A 136 9.046 -1.412 -13.226 1.00 0.00 C ATOM 1236 CG LYS A 136 8.787 -2.259 -14.459 1.00 0.00 C ATOM 1237 CD LYS A 136 8.137 -1.448 -15.567 1.00 0.00 C ATOM 1238 CE LYS A 136 7.357 -2.336 -16.524 1.00 0.00 C ATOM 1239 NZ LYS A 136 6.897 -1.587 -17.726 1.00 0.00 N ATOM 0 H LYS A 136 11.366 -2.365 -12.829 1.00 0.00 H new ATOM 0 HA LYS A 136 10.341 -0.010 -14.218 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.085 -2.061 -12.351 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.207 -0.731 -13.081 1.00 0.00 H new ATOM 0 HG2 LYS A 136 9.727 -2.678 -14.817 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.143 -3.099 -14.196 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.468 -0.705 -15.131 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.903 -0.903 -16.118 1.00 0.00 H new ATOM 0 HE2 LYS A 136 7.983 -3.172 -16.835 1.00 0.00 H new ATOM 0 HE3 LYS A 136 6.495 -2.758 -16.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 6.370 -2.227 -18.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.279 -0.804 -17.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 7.721 -1.206 -18.234 1.00 0.00 H new ATOM 1253 N GLN A 137 9.656 1.439 -12.177 1.00 0.00 N ATOM 1254 CA GLN A 137 9.644 2.429 -11.107 1.00 0.00 C ATOM 1255 C GLN A 137 8.340 2.361 -10.318 1.00 0.00 C ATOM 1256 O GLN A 137 7.304 2.853 -10.767 1.00 0.00 O ATOM 1257 CB GLN A 137 9.834 3.834 -11.681 1.00 0.00 C ATOM 1258 CG GLN A 137 11.289 4.266 -11.764 1.00 0.00 C ATOM 1259 CD GLN A 137 11.456 5.643 -12.376 1.00 0.00 C ATOM 1260 OE1 GLN A 137 11.380 6.657 -11.681 1.00 0.00 O ATOM 1261 NE2 GLN A 137 11.684 5.686 -13.683 1.00 0.00 N ATOM 0 H GLN A 137 9.034 1.653 -12.957 1.00 0.00 H new ATOM 0 HA GLN A 137 10.469 2.206 -10.431 1.00 0.00 H new ATOM 0 HB2 GLN A 137 9.395 3.873 -12.678 1.00 0.00 H new ATOM 0 HB3 GLN A 137 9.287 4.547 -11.064 1.00 0.00 H new ATOM 0 HG2 GLN A 137 11.723 4.262 -10.764 1.00 0.00 H new ATOM 0 HG3 GLN A 137 11.846 3.540 -12.356 1.00 0.00 H new ATOM 0 HE21 GLN A 137 11.739 4.820 -14.220 1.00 0.00 H new ATOM 0 HE22 GLN A 137 11.804 6.585 -14.150 1.00 0.00 H new ATOM 1270 N LEU A 138 8.399 1.749 -9.140 1.00 0.00 N ATOM 1271 CA LEU A 138 7.222 1.616 -8.288 1.00 0.00 C ATOM 1272 C LEU A 138 6.774 2.976 -7.762 1.00 0.00 C ATOM 1273 O LEU A 138 7.594 3.785 -7.328 1.00 0.00 O ATOM 1274 CB LEU A 138 7.520 0.677 -7.118 1.00 0.00 C ATOM 1275 CG LEU A 138 7.480 -0.819 -7.431 1.00 0.00 C ATOM 1276 CD1 LEU A 138 8.055 -1.622 -6.274 1.00 0.00 C ATOM 1277 CD2 LEU A 138 6.057 -1.263 -7.735 1.00 0.00 C ATOM 0 H LEU A 138 9.248 1.337 -8.753 1.00 0.00 H new ATOM 0 HA LEU A 138 6.415 1.195 -8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 138 8.508 0.920 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 138 6.803 0.881 -6.323 1.00 0.00 H new ATOM 0 HG LEU A 138 8.093 -1.002 -8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 138 8.018 -2.684 -6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 138 9.090 -1.324 -6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 138 7.470 -1.434 -5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.048 -2.330 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 138 5.422 -1.066 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 138 5.680 -0.712 -8.596 1.00 0.00 H new ATOM 1289 N ARG A 139 5.469 3.219 -7.803 1.00 0.00 N ATOM 1290 CA ARG A 139 4.911 4.481 -7.330 1.00 0.00 C ATOM 1291 C ARG A 139 4.073 4.268 -6.073 1.00 0.00 C ATOM 1292 O ARG A 139 3.017 3.636 -6.119 1.00 0.00 O ATOM 1293 CB ARG A 139 4.058 5.127 -8.422 1.00 0.00 C ATOM 1294 CG ARG A 139 3.151 6.235 -7.911 1.00 0.00 C ATOM 1295 CD ARG A 139 3.954 7.425 -7.408 1.00 0.00 C ATOM 1296 NE ARG A 139 4.277 8.360 -8.482 1.00 0.00 N ATOM 1297 CZ ARG A 139 5.359 8.258 -9.245 1.00 0.00 C ATOM 1298 NH1 ARG A 139 6.218 7.266 -9.053 1.00 0.00 N ATOM 1299 NH2 ARG A 139 5.584 9.148 -10.203 1.00 0.00 N ATOM 0 H ARG A 139 4.777 2.559 -8.159 1.00 0.00 H new ATOM 0 HA ARG A 139 5.739 5.146 -7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 139 4.715 5.533 -9.192 1.00 0.00 H new ATOM 0 HB3 ARG A 139 3.447 4.359 -8.896 1.00 0.00 H new ATOM 0 HG2 ARG A 139 2.483 6.557 -8.710 1.00 0.00 H new ATOM 0 HG3 ARG A 139 2.524 5.851 -7.106 1.00 0.00 H new ATOM 0 HD2 ARG A 139 3.388 7.943 -6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 139 4.876 7.071 -6.946 1.00 0.00 H new ATOM 0 HE ARG A 139 3.636 9.134 -8.656 1.00 0.00 H new ATOM 0 HH11 ARG A 139 6.048 6.579 -8.318 1.00 0.00 H new ATOM 0 HH12 ARG A 139 7.048 7.190 -9.640 1.00 0.00 H new ATOM 0 HH21 ARG A 139 4.925 9.912 -10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 139 6.416 9.068 -10.788 1.00 0.00 H new ATOM 1313 N VAL A 140 4.551 4.798 -4.952 1.00 0.00 N ATOM 1314 CA VAL A 140 3.845 4.666 -3.683 1.00 0.00 C ATOM 1315 C VAL A 140 3.183 5.980 -3.283 1.00 0.00 C ATOM 1316 O VAL A 140 3.854 6.998 -3.112 1.00 0.00 O ATOM 1317 CB VAL A 140 4.795 4.219 -2.556 1.00 0.00 C ATOM 1318 CG1 VAL A 140 4.013 3.912 -1.288 1.00 0.00 C ATOM 1319 CG2 VAL A 140 5.611 3.013 -2.995 1.00 0.00 C ATOM 0 H VAL A 140 5.424 5.323 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 140 3.078 3.905 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 140 5.484 5.036 -2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 140 4.701 3.598 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 140 3.478 4.805 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 140 3.299 3.113 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.277 2.710 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.940 2.190 -3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.202 3.273 -3.873 1.00 0.00 H new ATOM 1329 N ARG A 141 1.863 5.950 -3.136 1.00 0.00 N ATOM 1330 CA ARG A 141 1.109 7.139 -2.757 1.00 0.00 C ATOM 1331 C ARG A 141 0.038 6.798 -1.724 1.00 0.00 C ATOM 1332 O ARG A 141 -0.476 5.680 -1.693 1.00 0.00 O ATOM 1333 CB ARG A 141 0.461 7.772 -3.989 1.00 0.00 C ATOM 1334 CG ARG A 141 1.459 8.179 -5.061 1.00 0.00 C ATOM 1335 CD ARG A 141 0.798 9.007 -6.152 1.00 0.00 C ATOM 1336 NE ARG A 141 -0.096 8.204 -6.983 1.00 0.00 N ATOM 1337 CZ ARG A 141 -0.981 8.724 -7.825 1.00 0.00 C ATOM 1338 NH1 ARG A 141 -1.091 10.040 -7.948 1.00 0.00 N ATOM 1339 NH2 ARG A 141 -1.759 7.928 -8.547 1.00 0.00 N ATOM 0 H ARG A 141 1.293 5.115 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 141 1.803 7.852 -2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -0.252 7.067 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -0.106 8.650 -3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 141 2.268 8.752 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 141 1.907 7.287 -5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.235 9.823 -5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 141 1.566 9.460 -6.779 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.037 7.188 -6.912 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.495 10.656 -7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -1.772 10.437 -8.596 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -1.678 6.915 -8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -2.439 8.329 -9.194 1.00 0.00 H new ATOM 1353 N PHE A 142 -0.293 7.769 -0.880 1.00 0.00 N ATOM 1354 CA PHE A 142 -1.301 7.572 0.155 1.00 0.00 C ATOM 1355 C PHE A 142 -2.706 7.622 -0.437 1.00 0.00 C ATOM 1356 O PHE A 142 -3.197 8.688 -0.808 1.00 0.00 O ATOM 1357 CB PHE A 142 -1.157 8.635 1.246 1.00 0.00 C ATOM 1358 CG PHE A 142 -0.064 8.337 2.233 1.00 0.00 C ATOM 1359 CD1 PHE A 142 0.032 7.088 2.825 1.00 0.00 C ATOM 1360 CD2 PHE A 142 0.868 9.306 2.567 1.00 0.00 C ATOM 1361 CE1 PHE A 142 1.036 6.812 3.733 1.00 0.00 C ATOM 1362 CE2 PHE A 142 1.875 9.036 3.475 1.00 0.00 C ATOM 1363 CZ PHE A 142 1.960 7.787 4.058 1.00 0.00 C ATOM 0 H PHE A 142 0.122 8.701 -0.892 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.146 6.587 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.960 9.600 0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -2.103 8.727 1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -0.686 6.321 2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 142 0.807 10.284 2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 142 1.099 5.835 4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.594 9.801 3.728 1.00 0.00 H new ATOM 0 HZ PHE A 142 2.747 7.573 4.766 1.00 0.00 H new ATOM 1373 N ALA A 143 -3.347 6.461 -0.524 1.00 0.00 N ATOM 1374 CA ALA A 143 -4.696 6.372 -1.070 1.00 0.00 C ATOM 1375 C ALA A 143 -5.735 6.787 -0.035 1.00 0.00 C ATOM 1376 O ALA A 143 -6.069 6.018 0.867 1.00 0.00 O ATOM 1377 CB ALA A 143 -4.973 4.960 -1.563 1.00 0.00 C ATOM 0 H ALA A 143 -2.954 5.569 -0.223 1.00 0.00 H new ATOM 0 HA ALA A 143 -4.767 7.060 -1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -5.984 4.908 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -4.256 4.699 -2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -4.878 4.260 -0.733 1.00 0.00 H new