USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 722 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 85 HIS : no HD1:sc= -0.346 X(o=-2.2,f=-1.8) USER MOD Set 1.2: A 111 ASN : amide:sc= -1.85 K(o=-2.2,f=-5.1!) USER MOD Single : A 10 ASN : amide:sc= -2.63! C(o=-2.6!,f=-2.5!) USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= -0.057 (180deg=-0.496) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.351 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.89 USER MOD Single : A 22 THR OG1 : rot 36:sc= 0.509 USER MOD Single : A 25 HIS : no HE2:sc= -2.3 K(o=-2.3,f=-6.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -148:sc= -2.02 (180deg=-5.37!) USER MOD Single : A 37 THR OG1 : rot 110:sc= 0.0709 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 40:sc= -1.44! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.604 USER MOD Single : A 79 LYS NZ :NH3+ -156:sc= -0.211 (180deg=-1.27) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -0.0377 (180deg=-0.222) USER MOD Single : A 86 HIS : no HD1:sc= -0.926 K(o=-0.93,f=-2.3) USER MOD Single : A 87 THR OG1 : rot -148:sc= 0.117 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 49:sc= -2.61! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -8.12! C(o=-8.1!,f=-9.1!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.428 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0588 USER MOD Single : A 109 HIS : no HD1:sc= -1.91! X(o=-1.9!,f=-1.6) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 0.260 -5.887 13.364 1.00 0.00 N ATOM 180 CA ASN A 10 -0.160 -6.946 12.455 1.00 0.00 C ATOM 181 C ASN A 10 1.003 -7.870 12.124 1.00 0.00 C ATOM 182 O ASN A 10 0.805 -9.016 11.718 1.00 0.00 O ATOM 183 CB ASN A 10 -0.745 -6.343 11.174 1.00 0.00 C ATOM 184 CG ASN A 10 -2.052 -6.999 10.770 1.00 0.00 C ATOM 185 OD1 ASN A 10 -2.360 -7.114 9.584 1.00 0.00 O ATOM 186 ND2 ASN A 10 -2.834 -7.426 11.756 1.00 0.00 N ATOM 0 HA ASN A 10 -0.931 -7.536 12.950 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.908 -5.275 11.320 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.023 -6.448 10.364 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.728 -7.869 11.543 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.540 -7.311 12.726 1.00 0.00 H new ATOM 193 N ASP A 11 2.217 -7.363 12.304 1.00 0.00 N ATOM 194 CA ASP A 11 3.422 -8.135 12.032 1.00 0.00 C ATOM 195 C ASP A 11 4.572 -7.658 12.919 1.00 0.00 C ATOM 196 O ASP A 11 4.358 -7.245 14.058 1.00 0.00 O ATOM 197 CB ASP A 11 3.807 -8.011 10.555 1.00 0.00 C ATOM 198 CG ASP A 11 2.683 -8.412 9.623 1.00 0.00 C ATOM 199 OD1 ASP A 11 1.832 -7.552 9.316 1.00 0.00 O ATOM 200 OD2 ASP A 11 2.651 -9.587 9.200 1.00 0.00 O ATOM 0 H ASP A 11 2.392 -6.416 12.639 1.00 0.00 H new ATOM 0 HA ASP A 11 3.222 -9.183 12.256 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.098 -6.982 10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.678 -8.636 10.357 1.00 0.00 H new ATOM 205 N LYS A 12 5.788 -7.721 12.388 1.00 0.00 N ATOM 206 CA LYS A 12 6.971 -7.300 13.124 1.00 0.00 C ATOM 207 C LYS A 12 7.861 -6.424 12.249 1.00 0.00 C ATOM 208 O LYS A 12 7.455 -6.008 11.166 1.00 0.00 O ATOM 209 CB LYS A 12 7.746 -8.525 13.613 1.00 0.00 C ATOM 210 CG LYS A 12 8.533 -9.245 12.526 1.00 0.00 C ATOM 211 CD LYS A 12 7.617 -10.007 11.583 1.00 0.00 C ATOM 212 CE LYS A 12 8.412 -10.862 10.609 1.00 0.00 C ATOM 213 NZ LYS A 12 9.249 -11.873 11.312 1.00 0.00 N ATOM 0 H LYS A 12 5.979 -8.062 11.446 1.00 0.00 H new ATOM 0 HA LYS A 12 6.656 -6.714 13.987 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.435 -8.214 14.399 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.045 -9.228 14.063 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.118 -8.521 11.959 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.240 -9.936 12.985 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.944 -10.641 12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.996 -9.303 11.029 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.728 -11.368 9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.051 -10.221 10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.516 -12.626 10.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.108 -11.417 11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.709 -12.283 12.100 1.00 0.00 H new ATOM 227 N TRP A 13 9.069 -6.138 12.732 1.00 0.00 N ATOM 228 CA TRP A 13 10.018 -5.312 12.005 1.00 0.00 C ATOM 229 C TRP A 13 11.395 -5.985 11.949 1.00 0.00 C ATOM 230 O TRP A 13 11.968 -6.310 12.989 1.00 0.00 O ATOM 231 CB TRP A 13 10.086 -3.945 12.683 1.00 0.00 C ATOM 232 CG TRP A 13 8.746 -3.269 12.723 1.00 0.00 C ATOM 233 CD1 TRP A 13 7.843 -3.219 11.705 1.00 0.00 C ATOM 234 CD2 TRP A 13 8.145 -2.569 13.823 1.00 0.00 C ATOM 235 NE1 TRP A 13 6.722 -2.532 12.095 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.879 -2.121 13.389 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.548 -2.274 15.129 1.00 0.00 C ATOM 238 CZ2 TRP A 13 6.016 -1.398 14.210 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.691 -1.555 15.945 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.438 -1.126 15.483 1.00 0.00 C ATOM 0 H TRP A 13 9.411 -6.472 13.633 1.00 0.00 H new ATOM 0 HA TRP A 13 9.689 -5.184 10.974 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.463 -4.063 13.699 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.796 -3.312 12.151 1.00 0.00 H new ATOM 0 HD1 TRP A 13 7.989 -3.658 10.729 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.903 -2.356 11.513 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.510 -2.601 15.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.052 -1.065 13.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.993 -1.320 16.955 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.793 -0.569 16.146 1.00 0.00 H new ATOM 251 N VAL A 14 11.931 -6.189 10.734 1.00 0.00 N ATOM 252 CA VAL A 14 13.230 -6.853 10.580 1.00 0.00 C ATOM 253 C VAL A 14 13.989 -6.328 9.376 1.00 0.00 C ATOM 254 O VAL A 14 13.396 -5.851 8.412 1.00 0.00 O ATOM 255 CB VAL A 14 13.091 -8.385 10.438 1.00 0.00 C ATOM 256 CG1 VAL A 14 12.302 -8.970 11.601 1.00 0.00 C ATOM 257 CG2 VAL A 14 12.443 -8.752 9.109 1.00 0.00 C ATOM 0 H VAL A 14 11.491 -5.907 9.858 1.00 0.00 H new ATOM 0 HA VAL A 14 13.785 -6.628 11.491 1.00 0.00 H new ATOM 0 HB VAL A 14 14.092 -8.815 10.457 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.218 -10.050 11.477 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.816 -8.751 12.537 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.305 -8.529 11.623 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.357 -9.836 9.033 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.451 -8.304 9.052 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.057 -8.379 8.289 1.00 0.00 H new ATOM 267 N ASP A 15 15.307 -6.444 9.436 1.00 0.00 N ATOM 268 CA ASP A 15 16.175 -5.977 8.368 1.00 0.00 C ATOM 269 C ASP A 15 15.737 -6.508 7.009 1.00 0.00 C ATOM 270 O ASP A 15 14.897 -7.404 6.915 1.00 0.00 O ATOM 271 CB ASP A 15 17.611 -6.392 8.655 1.00 0.00 C ATOM 272 CG ASP A 15 17.837 -7.880 8.462 1.00 0.00 C ATOM 273 OD1 ASP A 15 17.650 -8.639 9.437 1.00 0.00 O ATOM 274 OD2 ASP A 15 18.199 -8.285 7.338 1.00 0.00 O ATOM 0 H ASP A 15 15.802 -6.863 10.223 1.00 0.00 H new ATOM 0 HA ASP A 15 16.107 -4.890 8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 15 18.283 -5.838 8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.867 -6.119 9.679 1.00 0.00 H new ATOM 279 N THR A 16 16.327 -5.952 5.957 1.00 0.00 N ATOM 280 CA THR A 16 16.002 -6.350 4.594 1.00 0.00 C ATOM 281 C THR A 16 16.969 -5.712 3.597 1.00 0.00 C ATOM 282 O THR A 16 17.986 -5.141 3.989 1.00 0.00 O ATOM 283 CB THR A 16 14.554 -5.961 4.231 1.00 0.00 C ATOM 284 OG1 THR A 16 14.159 -6.602 3.011 1.00 0.00 O ATOM 285 CG2 THR A 16 14.411 -4.453 4.082 1.00 0.00 C ATOM 0 H THR A 16 17.036 -5.221 6.023 1.00 0.00 H new ATOM 0 HA THR A 16 16.097 -7.434 4.539 1.00 0.00 H new ATOM 0 HB THR A 16 13.907 -6.293 5.043 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.238 -6.349 2.792 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.380 -4.209 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.676 -3.968 5.021 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.074 -4.101 3.292 1.00 0.00 H new ATOM 293 N HIS A 17 16.648 -5.810 2.309 1.00 0.00 N ATOM 294 CA HIS A 17 17.498 -5.243 1.268 1.00 0.00 C ATOM 295 C HIS A 17 16.907 -3.950 0.715 1.00 0.00 C ATOM 296 O HIS A 17 15.878 -3.474 1.192 1.00 0.00 O ATOM 297 CB HIS A 17 17.696 -6.256 0.140 1.00 0.00 C ATOM 298 CG HIS A 17 18.609 -7.386 0.502 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.153 -8.640 0.853 1.00 0.00 N ATOM 300 CD2 HIS A 17 19.960 -7.449 0.563 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.183 -9.424 1.115 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.291 -8.726 0.945 1.00 0.00 N ATOM 0 H HIS A 17 15.809 -6.275 1.963 1.00 0.00 H new ATOM 0 HA HIS A 17 18.465 -5.009 1.713 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.726 -6.662 -0.147 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.097 -5.741 -0.733 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.649 -6.645 0.351 1.00 0.00 H new ATOM 0 HE1 HIS A 17 19.128 -10.460 1.417 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.239 -9.078 1.076 1.00 0.00 H new ATOM 311 N VAL A 18 17.562 -3.392 -0.300 1.00 0.00 N ATOM 312 CA VAL A 18 17.112 -2.144 -0.912 1.00 0.00 C ATOM 313 C VAL A 18 16.281 -2.393 -2.167 1.00 0.00 C ATOM 314 O VAL A 18 16.583 -3.281 -2.965 1.00 0.00 O ATOM 315 CB VAL A 18 18.306 -1.236 -1.267 1.00 0.00 C ATOM 316 CG1 VAL A 18 19.238 -1.934 -2.245 1.00 0.00 C ATOM 317 CG2 VAL A 18 17.823 0.092 -1.830 1.00 0.00 C ATOM 0 H VAL A 18 18.406 -3.784 -0.716 1.00 0.00 H new ATOM 0 HA VAL A 18 16.485 -1.645 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 18 18.865 -1.032 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.074 -1.277 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.615 -2.853 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.694 -2.174 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.682 0.718 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.236 -0.087 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.204 0.598 -1.089 1.00 0.00 H new ATOM 327 N GLY A 19 15.230 -1.592 -2.326 1.00 0.00 N ATOM 328 CA GLY A 19 14.351 -1.708 -3.477 1.00 0.00 C ATOM 329 C GLY A 19 13.794 -3.101 -3.670 1.00 0.00 C ATOM 330 O GLY A 19 13.289 -3.422 -4.744 1.00 0.00 O ATOM 0 H GLY A 19 14.970 -0.856 -1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.524 -1.006 -3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.898 -1.416 -4.373 1.00 0.00 H new ATOM 334 N LYS A 20 13.895 -3.938 -2.641 1.00 0.00 N ATOM 335 CA LYS A 20 13.373 -5.292 -2.715 1.00 0.00 C ATOM 336 C LYS A 20 11.857 -5.245 -2.822 1.00 0.00 C ATOM 337 O LYS A 20 11.144 -5.435 -1.836 1.00 0.00 O ATOM 338 CB LYS A 20 13.802 -6.101 -1.490 1.00 0.00 C ATOM 339 CG LYS A 20 14.216 -7.519 -1.817 1.00 0.00 C ATOM 340 CD LYS A 20 15.619 -7.536 -2.376 1.00 0.00 C ATOM 341 CE LYS A 20 16.239 -8.922 -2.303 1.00 0.00 C ATOM 342 NZ LYS A 20 17.620 -8.943 -2.860 1.00 0.00 N ATOM 0 H LYS A 20 14.332 -3.700 -1.751 1.00 0.00 H new ATOM 0 HA LYS A 20 13.778 -5.783 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.633 -5.592 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.979 -6.127 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.166 -8.136 -0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.523 -7.951 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.601 -7.200 -3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.239 -6.831 -1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.261 -9.256 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.616 -9.628 -2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.007 -9.906 -2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.597 -8.649 -3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.222 -8.289 -2.320 1.00 0.00 H new ATOM 356 N THR A 21 11.380 -4.971 -4.030 1.00 0.00 N ATOM 357 CA THR A 21 9.953 -4.865 -4.301 1.00 0.00 C ATOM 358 C THR A 21 9.168 -5.986 -3.636 1.00 0.00 C ATOM 359 O THR A 21 9.141 -7.116 -4.125 1.00 0.00 O ATOM 360 CB THR A 21 9.668 -4.889 -5.812 1.00 0.00 C ATOM 361 OG1 THR A 21 10.622 -4.075 -6.505 1.00 0.00 O ATOM 362 CG2 THR A 21 8.263 -4.384 -6.098 1.00 0.00 C ATOM 0 H THR A 21 11.970 -4.816 -4.847 1.00 0.00 H new ATOM 0 HA THR A 21 9.631 -3.910 -3.885 1.00 0.00 H new ATOM 0 HB THR A 21 9.750 -5.918 -6.161 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.434 -4.098 -7.467 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.079 -4.408 -7.172 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.537 -5.020 -5.591 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.163 -3.361 -5.736 1.00 0.00 H new ATOM 370 N THR A 22 8.536 -5.665 -2.514 1.00 0.00 N ATOM 371 CA THR A 22 7.743 -6.642 -1.785 1.00 0.00 C ATOM 372 C THR A 22 6.275 -6.526 -2.159 1.00 0.00 C ATOM 373 O THR A 22 5.571 -5.623 -1.706 1.00 0.00 O ATOM 374 CB THR A 22 7.896 -6.475 -0.261 1.00 0.00 C ATOM 375 OG1 THR A 22 9.278 -6.553 0.105 1.00 0.00 O ATOM 376 CG2 THR A 22 7.111 -7.546 0.483 1.00 0.00 C ATOM 0 H THR A 22 8.558 -4.737 -2.091 1.00 0.00 H new ATOM 0 HA THR A 22 8.113 -7.629 -2.063 1.00 0.00 H new ATOM 0 HB THR A 22 7.501 -5.497 0.015 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.826 -6.143 -0.596 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.234 -7.407 1.557 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.055 -7.467 0.226 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.481 -8.531 0.199 1.00 0.00 H new ATOM 384 N GLU A 23 5.832 -7.443 -3.011 1.00 0.00 N ATOM 385 CA GLU A 23 4.460 -7.478 -3.464 1.00 0.00 C ATOM 386 C GLU A 23 3.571 -8.144 -2.429 1.00 0.00 C ATOM 387 O GLU A 23 3.872 -9.235 -1.945 1.00 0.00 O ATOM 388 CB GLU A 23 4.385 -8.237 -4.782 1.00 0.00 C ATOM 389 CG GLU A 23 2.996 -8.260 -5.380 1.00 0.00 C ATOM 390 CD GLU A 23 2.987 -8.748 -6.816 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.133 -9.971 -7.029 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.839 -7.907 -7.728 1.00 0.00 O ATOM 0 H GLU A 23 6.419 -8.180 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 23 4.108 -6.457 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.073 -7.782 -5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.722 -9.261 -4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.356 -8.904 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.570 -7.258 -5.338 1.00 0.00 H new ATOM 399 N ILE A 24 2.473 -7.483 -2.095 1.00 0.00 N ATOM 400 CA ILE A 24 1.547 -8.011 -1.114 1.00 0.00 C ATOM 401 C ILE A 24 0.107 -7.929 -1.593 1.00 0.00 C ATOM 402 O ILE A 24 -0.484 -6.849 -1.634 1.00 0.00 O ATOM 403 CB ILE A 24 1.661 -7.257 0.217 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.110 -7.261 0.707 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.733 -7.875 1.253 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.316 -6.540 2.022 1.00 0.00 C ATOM 0 H ILE A 24 2.205 -6.582 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 24 1.816 -9.057 -0.971 1.00 0.00 H new ATOM 0 HB ILE A 24 1.358 -6.221 0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.444 -8.293 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.741 -6.799 -0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.823 -7.331 2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.296 -7.819 0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.006 -8.918 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.368 -6.587 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.015 -5.498 1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.713 -7.015 2.796 1.00 0.00 H new ATOM 418 N HIS A 25 -0.441 -9.075 -1.970 1.00 0.00 N ATOM 419 CA HIS A 25 -1.822 -9.152 -2.406 1.00 0.00 C ATOM 420 C HIS A 25 -2.714 -9.407 -1.200 1.00 0.00 C ATOM 421 O HIS A 25 -2.887 -10.548 -0.773 1.00 0.00 O ATOM 422 CB HIS A 25 -2.010 -10.274 -3.421 1.00 0.00 C ATOM 423 CG HIS A 25 -0.889 -10.406 -4.401 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.050 -11.499 -4.443 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.478 -9.580 -5.393 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.828 -11.341 -5.417 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.589 -10.185 -6.010 1.00 0.00 N ATOM 0 H HIS A 25 0.055 -9.966 -1.982 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.091 -8.208 -2.880 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.124 -11.217 -2.887 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.938 -10.103 -3.967 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.100 -12.304 -3.819 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.909 -8.624 -5.651 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.609 -12.038 -5.683 1.00 0.00 H new ATOM 436 N LEU A 26 -3.270 -8.340 -0.654 1.00 0.00 N ATOM 437 CA LEU A 26 -4.128 -8.447 0.517 1.00 0.00 C ATOM 438 C LEU A 26 -5.574 -8.637 0.095 1.00 0.00 C ATOM 439 O LEU A 26 -6.008 -8.098 -0.920 1.00 0.00 O ATOM 440 CB LEU A 26 -4.005 -7.196 1.384 1.00 0.00 C ATOM 441 CG LEU A 26 -2.587 -6.857 1.854 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.487 -5.384 2.217 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.193 -7.723 3.042 1.00 0.00 C ATOM 0 H LEU A 26 -3.144 -7.389 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.809 -9.313 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.396 -6.347 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.640 -7.319 2.261 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.897 -7.062 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.473 -5.159 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.726 -4.777 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.190 -5.158 3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.183 -7.466 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.887 -7.550 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.227 -8.774 2.753 1.00 0.00 H new ATOM 455 N LYS A 27 -6.317 -9.398 0.878 1.00 0.00 N ATOM 456 CA LYS A 27 -7.716 -9.653 0.571 1.00 0.00 C ATOM 457 C LYS A 27 -8.615 -8.768 1.418 1.00 0.00 C ATOM 458 O LYS A 27 -8.193 -8.238 2.447 1.00 0.00 O ATOM 459 CB LYS A 27 -8.060 -11.123 0.798 1.00 0.00 C ATOM 460 CG LYS A 27 -6.996 -12.079 0.281 1.00 0.00 C ATOM 461 CD LYS A 27 -7.446 -13.528 0.394 1.00 0.00 C ATOM 462 CE LYS A 27 -6.378 -14.484 -0.113 1.00 0.00 C ATOM 463 NZ LYS A 27 -6.808 -15.905 -0.002 1.00 0.00 N ATOM 0 H LYS A 27 -5.979 -9.849 1.728 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.882 -9.418 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.204 -11.294 1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.008 -11.347 0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.772 -11.847 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.074 -11.938 0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.678 -13.758 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.364 -13.671 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.149 -14.254 -1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.460 -14.337 0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.053 -16.525 -0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.002 -16.132 0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.670 -16.052 -0.565 1.00 0.00 H new ATOM 477 N GLY A 28 -9.856 -8.617 0.983 1.00 0.00 N ATOM 478 CA GLY A 28 -10.795 -7.782 1.703 1.00 0.00 C ATOM 479 C GLY A 28 -12.107 -7.616 0.963 1.00 0.00 C ATOM 480 O GLY A 28 -12.569 -8.539 0.292 1.00 0.00 O ATOM 0 H GLY A 28 -10.231 -9.058 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.987 -8.218 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.350 -6.802 1.872 1.00 0.00 H new ATOM 484 N ASN A 29 -12.703 -6.434 1.082 1.00 0.00 N ATOM 485 CA ASN A 29 -13.970 -6.141 0.422 1.00 0.00 C ATOM 486 C ASN A 29 -14.356 -4.676 0.632 1.00 0.00 C ATOM 487 O ASN A 29 -14.917 -4.324 1.668 1.00 0.00 O ATOM 488 CB ASN A 29 -15.071 -7.057 0.961 1.00 0.00 C ATOM 489 CG ASN A 29 -16.296 -7.083 0.069 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.386 -7.889 -0.856 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.246 -6.200 0.344 1.00 0.00 N ATOM 0 H ASN A 29 -12.327 -5.661 1.631 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.853 -6.321 -0.647 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.679 -8.069 1.063 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.359 -6.725 1.958 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.094 -6.171 -0.222 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.129 -5.550 1.121 1.00 0.00 H new ATOM 547 N TYR A 34 -14.347 -0.086 4.856 1.00 0.00 N ATOM 548 CA TYR A 34 -12.945 0.253 5.079 1.00 0.00 C ATOM 549 C TYR A 34 -12.106 0.017 3.825 1.00 0.00 C ATOM 550 O TYR A 34 -12.619 -0.391 2.783 1.00 0.00 O ATOM 551 CB TYR A 34 -12.375 -0.548 6.253 1.00 0.00 C ATOM 552 CG TYR A 34 -13.018 -0.224 7.585 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.275 -0.723 7.904 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.372 0.577 8.523 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.871 -0.435 9.117 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.965 0.868 9.739 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.213 0.359 10.030 1.00 0.00 C ATOM 558 OH TYR A 34 -14.804 0.648 11.238 1.00 0.00 O ATOM 0 HA TYR A 34 -12.900 1.315 5.321 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.500 -1.612 6.049 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.304 -0.360 6.322 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.795 -1.347 7.192 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.394 0.977 8.298 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.849 -0.831 9.348 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.453 1.491 10.457 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.207 1.219 11.766 1.00 0.00 H new ATOM 568 N MET A 35 -10.809 0.284 3.945 1.00 0.00 N ATOM 569 CA MET A 35 -9.872 0.137 2.858 1.00 0.00 C ATOM 570 C MET A 35 -8.511 -0.265 3.404 1.00 0.00 C ATOM 571 O MET A 35 -8.180 0.036 4.549 1.00 0.00 O ATOM 572 CB MET A 35 -9.754 1.469 2.118 1.00 0.00 C ATOM 573 CG MET A 35 -8.409 1.682 1.451 1.00 0.00 C ATOM 574 SD MET A 35 -8.172 3.379 0.889 1.00 0.00 S ATOM 575 CE MET A 35 -7.242 3.124 -0.620 1.00 0.00 C ATOM 0 H MET A 35 -10.384 0.611 4.812 1.00 0.00 H new ATOM 0 HA MET A 35 -10.224 -0.635 2.174 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.537 1.524 1.362 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.933 2.282 2.822 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.615 1.421 2.151 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.319 1.006 0.601 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.562 3.962 -0.774 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.668 2.201 -0.542 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.929 3.054 -1.463 1.00 0.00 H new ATOM 585 N TRP A 36 -7.726 -0.933 2.581 1.00 0.00 N ATOM 586 CA TRP A 36 -6.394 -1.350 2.983 1.00 0.00 C ATOM 587 C TRP A 36 -5.343 -0.552 2.226 1.00 0.00 C ATOM 588 O TRP A 36 -4.954 -0.915 1.115 1.00 0.00 O ATOM 589 CB TRP A 36 -6.196 -2.836 2.724 1.00 0.00 C ATOM 590 CG TRP A 36 -6.283 -3.685 3.954 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.162 -4.704 4.184 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.463 -3.588 5.122 1.00 0.00 C ATOM 593 NE1 TRP A 36 -6.937 -5.248 5.425 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.900 -4.580 6.021 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.402 -2.761 5.495 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.312 -4.766 7.268 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.819 -2.946 6.734 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.275 -3.941 7.607 1.00 0.00 C ATOM 0 H TRP A 36 -7.986 -1.199 1.631 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.285 -1.163 4.051 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.946 -3.173 2.009 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.222 -2.987 2.259 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.923 -5.034 3.492 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.457 -6.023 5.836 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.044 -1.991 4.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.661 -5.533 7.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.998 -2.312 7.034 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.798 -4.060 8.569 1.00 0.00 H new ATOM 609 N THR A 37 -4.892 0.541 2.827 1.00 0.00 N ATOM 610 CA THR A 37 -3.890 1.393 2.199 1.00 0.00 C ATOM 611 C THR A 37 -2.836 1.826 3.222 1.00 0.00 C ATOM 612 O THR A 37 -2.794 1.292 4.329 1.00 0.00 O ATOM 613 CB THR A 37 -4.548 2.629 1.558 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.587 3.355 0.784 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.139 3.536 2.623 1.00 0.00 C ATOM 0 H THR A 37 -5.203 0.858 3.745 1.00 0.00 H new ATOM 0 HA THR A 37 -3.400 0.817 1.414 1.00 0.00 H new ATOM 0 HB THR A 37 -5.351 2.287 0.905 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.794 3.259 -0.169 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.599 4.403 2.148 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.893 2.989 3.189 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.350 3.868 3.297 1.00 0.00 H new ATOM 623 N ARG A 38 -1.988 2.793 2.863 1.00 0.00 N ATOM 624 CA ARG A 38 -0.946 3.257 3.774 1.00 0.00 C ATOM 625 C ARG A 38 -1.465 4.370 4.681 1.00 0.00 C ATOM 626 O ARG A 38 -2.218 5.242 4.245 1.00 0.00 O ATOM 627 CB ARG A 38 0.284 3.732 2.993 1.00 0.00 C ATOM 628 CG ARG A 38 1.370 2.694 2.866 1.00 0.00 C ATOM 629 CD ARG A 38 2.476 3.174 1.945 1.00 0.00 C ATOM 630 NE ARG A 38 2.934 4.524 2.258 1.00 0.00 N ATOM 631 CZ ARG A 38 4.098 4.784 2.849 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.884 3.790 3.238 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.478 6.038 3.052 1.00 0.00 N ATOM 0 H ARG A 38 -2.003 3.264 1.958 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.653 2.416 4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.029 4.039 1.995 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.695 4.614 3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.782 2.472 3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.948 1.766 2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.319 2.486 2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.121 3.147 0.915 1.00 0.00 H new ATOM 0 HE ARG A 38 2.331 5.309 2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.597 2.823 3.085 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.775 3.992 3.691 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.878 6.807 2.755 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.371 6.233 3.505 1.00 0.00 H new ATOM 647 N VAL A 39 -1.055 4.328 5.946 1.00 0.00 N ATOM 648 CA VAL A 39 -1.478 5.316 6.931 1.00 0.00 C ATOM 649 C VAL A 39 -1.044 6.726 6.541 1.00 0.00 C ATOM 650 O VAL A 39 0.117 6.960 6.209 1.00 0.00 O ATOM 651 CB VAL A 39 -0.906 4.993 8.328 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.568 5.859 9.389 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.070 3.516 8.654 1.00 0.00 C ATOM 0 H VAL A 39 -0.426 3.614 6.314 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.567 5.273 6.961 1.00 0.00 H new ATOM 0 HB VAL A 39 0.161 5.217 8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.152 5.617 10.367 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.385 6.910 9.167 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.642 5.671 9.394 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.659 3.314 9.643 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.128 3.256 8.640 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.540 2.919 7.912 1.00 0.00 H new ATOM 663 N GLY A 40 -1.988 7.664 6.590 1.00 0.00 N ATOM 664 CA GLY A 40 -1.689 9.044 6.249 1.00 0.00 C ATOM 665 C GLY A 40 -1.757 9.314 4.758 1.00 0.00 C ATOM 666 O GLY A 40 -1.310 10.360 4.289 1.00 0.00 O ATOM 0 H GLY A 40 -2.956 7.491 6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.391 9.700 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.693 9.295 6.613 1.00 0.00 H new ATOM 670 N PHE A 41 -2.318 8.368 4.012 1.00 0.00 N ATOM 671 CA PHE A 41 -2.441 8.503 2.565 1.00 0.00 C ATOM 672 C PHE A 41 -3.807 8.030 2.103 1.00 0.00 C ATOM 673 O PHE A 41 -4.118 8.041 0.911 1.00 0.00 O ATOM 674 CB PHE A 41 -1.343 7.698 1.879 1.00 0.00 C ATOM 675 CG PHE A 41 0.019 8.037 2.397 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.639 9.219 2.035 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.669 7.181 3.265 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.889 9.541 2.527 1.00 0.00 C ATOM 679 CE2 PHE A 41 1.917 7.494 3.765 1.00 0.00 C ATOM 680 CZ PHE A 41 2.529 8.676 3.395 1.00 0.00 C ATOM 0 H PHE A 41 -2.695 7.498 4.387 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.333 9.554 2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.530 6.634 2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.377 7.883 0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.140 9.898 1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.195 6.255 3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.365 10.465 2.235 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.414 6.817 4.444 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.506 8.924 3.783 1.00 0.00 H new ATOM 690 N VAL A 42 -4.614 7.611 3.064 1.00 0.00 N ATOM 691 CA VAL A 42 -5.960 7.131 2.794 1.00 0.00 C ATOM 692 C VAL A 42 -6.764 8.161 2.009 1.00 0.00 C ATOM 693 O VAL A 42 -7.110 9.223 2.530 1.00 0.00 O ATOM 694 CB VAL A 42 -6.691 6.797 4.104 1.00 0.00 C ATOM 695 CG1 VAL A 42 -8.018 6.111 3.817 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.800 5.941 4.991 1.00 0.00 C ATOM 0 H VAL A 42 -4.356 7.594 4.051 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.871 6.226 2.193 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.911 7.723 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.520 5.883 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.647 6.771 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.839 5.187 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.325 5.708 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.552 5.015 4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.884 6.485 5.220 1.00 0.00 H new ATOM 706 N GLY A 43 -7.058 7.839 0.753 1.00 0.00 N ATOM 707 CA GLY A 43 -7.813 8.744 -0.092 1.00 0.00 C ATOM 708 C GLY A 43 -6.948 9.374 -1.167 1.00 0.00 C ATOM 709 O GLY A 43 -7.422 9.668 -2.264 1.00 0.00 O ATOM 0 H GLY A 43 -6.785 6.964 0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.635 8.202 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.256 9.528 0.522 1.00 0.00 H new ATOM 763 N LEU A 47 0.848 6.629 -2.101 1.00 0.00 N ATOM 764 CA LEU A 47 1.078 6.424 -0.680 1.00 0.00 C ATOM 765 C LEU A 47 2.540 6.690 -0.342 1.00 0.00 C ATOM 766 O LEU A 47 2.853 7.442 0.582 1.00 0.00 O ATOM 767 CB LEU A 47 0.695 5.000 -0.289 1.00 0.00 C ATOM 768 CG LEU A 47 -0.579 4.462 -0.951 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.812 3.009 -0.564 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.782 5.314 -0.575 1.00 0.00 C ATOM 0 HA LEU A 47 0.457 7.121 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.523 4.337 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.568 4.959 0.793 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.448 4.513 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.721 2.646 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.036 2.406 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.918 2.933 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.675 4.915 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.914 5.299 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.619 6.340 -0.907 1.00 0.00 H new ATOM 782 N SER A 48 3.426 6.056 -1.099 1.00 0.00 N ATOM 783 CA SER A 48 4.864 6.211 -0.924 1.00 0.00 C ATOM 784 C SER A 48 5.279 7.682 -0.934 1.00 0.00 C ATOM 785 O SER A 48 4.461 8.568 -1.180 1.00 0.00 O ATOM 786 CB SER A 48 5.587 5.471 -2.043 1.00 0.00 C ATOM 787 OG SER A 48 5.419 6.132 -3.284 1.00 0.00 O ATOM 0 H SER A 48 3.167 5.419 -1.853 1.00 0.00 H new ATOM 0 HA SER A 48 5.136 5.794 0.046 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.649 5.397 -1.808 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.205 4.453 -2.115 1.00 0.00 H new ATOM 0 HG SER A 48 5.894 5.638 -3.985 1.00 0.00 H new ATOM 793 N ASP A 49 6.564 7.929 -0.677 1.00 0.00 N ATOM 794 CA ASP A 49 7.094 9.290 -0.656 1.00 0.00 C ATOM 795 C ASP A 49 8.590 9.307 -0.951 1.00 0.00 C ATOM 796 O ASP A 49 9.007 9.498 -2.093 1.00 0.00 O ATOM 797 CB ASP A 49 6.836 9.951 0.699 1.00 0.00 C ATOM 798 CG ASP A 49 5.380 10.314 0.901 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.613 9.447 1.368 1.00 0.00 O ATOM 800 OD2 ASP A 49 5.006 11.464 0.592 1.00 0.00 O ATOM 0 H ASP A 49 7.255 7.205 -0.481 1.00 0.00 H new ATOM 0 HA ASP A 49 6.578 9.851 -1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.152 9.276 1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.446 10.850 0.783 1.00 0.00 H new ATOM 805 N GLU A 50 9.390 9.111 0.091 1.00 0.00 N ATOM 806 CA GLU A 50 10.838 9.116 -0.040 1.00 0.00 C ATOM 807 C GLU A 50 11.463 7.921 0.673 1.00 0.00 C ATOM 808 O GLU A 50 12.497 7.404 0.252 1.00 0.00 O ATOM 809 CB GLU A 50 11.388 10.413 0.547 1.00 0.00 C ATOM 810 CG GLU A 50 11.173 10.537 2.048 1.00 0.00 C ATOM 811 CD GLU A 50 11.755 11.816 2.618 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.031 12.834 2.649 1.00 0.00 O ATOM 813 OE2 GLU A 50 12.932 11.800 3.032 1.00 0.00 O ATOM 0 H GLU A 50 9.055 8.946 1.040 1.00 0.00 H new ATOM 0 HA GLU A 50 11.092 9.045 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.455 10.475 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.914 11.258 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.105 10.501 2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.627 9.681 2.548 1.00 0.00 H new ATOM 820 N ILE A 51 10.826 7.492 1.755 1.00 0.00 N ATOM 821 CA ILE A 51 11.314 6.366 2.542 1.00 0.00 C ATOM 822 C ILE A 51 11.156 5.054 1.789 1.00 0.00 C ATOM 823 O ILE A 51 12.135 4.458 1.344 1.00 0.00 O ATOM 824 CB ILE A 51 10.559 6.263 3.877 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.444 7.643 4.526 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.251 5.279 4.808 1.00 0.00 C ATOM 827 CD1 ILE A 51 11.767 8.216 4.992 1.00 0.00 C ATOM 0 H ILE A 51 9.965 7.909 2.109 1.00 0.00 H new ATOM 0 HA ILE A 51 12.372 6.545 2.731 1.00 0.00 H new ATOM 0 HB ILE A 51 9.553 5.891 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.992 8.332 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.768 7.577 5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.702 5.220 5.748 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.279 4.294 4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.269 5.617 5.003 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.601 9.196 5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.212 7.549 5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.440 8.316 4.141 1.00 0.00 H new ATOM 839 N LEU A 52 9.914 4.600 1.668 1.00 0.00 N ATOM 840 CA LEU A 52 9.621 3.356 0.965 1.00 0.00 C ATOM 841 C LEU A 52 8.868 3.621 -0.333 1.00 0.00 C ATOM 842 O LEU A 52 7.799 4.228 -0.317 1.00 0.00 O ATOM 843 CB LEU A 52 8.778 2.422 1.842 1.00 0.00 C ATOM 844 CG LEU A 52 9.478 1.850 3.077 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.500 1.029 3.906 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.675 1.004 2.673 1.00 0.00 C ATOM 0 H LEU A 52 9.094 5.074 2.047 1.00 0.00 H new ATOM 0 HA LEU A 52 10.576 2.883 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.892 2.965 2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.433 1.591 1.227 1.00 0.00 H new ATOM 0 HG LEU A 52 9.837 2.681 3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.012 0.628 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.674 1.663 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.113 0.207 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.158 0.607 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.342 0.179 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.385 1.619 2.119 1.00 0.00 H new ATOM 858 N GLU A 53 9.441 3.187 -1.456 1.00 0.00 N ATOM 859 CA GLU A 53 8.790 3.338 -2.751 1.00 0.00 C ATOM 860 C GLU A 53 7.595 2.400 -2.831 1.00 0.00 C ATOM 861 O GLU A 53 7.593 1.432 -3.591 1.00 0.00 O ATOM 862 CB GLU A 53 9.771 3.033 -3.882 1.00 0.00 C ATOM 863 CG GLU A 53 10.264 4.270 -4.601 1.00 0.00 C ATOM 864 CD GLU A 53 9.560 4.500 -5.923 1.00 0.00 C ATOM 865 OE1 GLU A 53 10.046 3.985 -6.952 1.00 0.00 O ATOM 866 OE2 GLU A 53 8.520 5.193 -5.931 1.00 0.00 O ATOM 0 H GLU A 53 10.352 2.730 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 53 8.450 4.368 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.626 2.493 -3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.289 2.371 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.118 5.140 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.336 4.180 -4.776 1.00 0.00 H new ATOM 873 N VAL A 54 6.584 2.694 -2.028 1.00 0.00 N ATOM 874 CA VAL A 54 5.389 1.876 -1.968 1.00 0.00 C ATOM 875 C VAL A 54 4.482 2.086 -3.169 1.00 0.00 C ATOM 876 O VAL A 54 3.563 2.905 -3.132 1.00 0.00 O ATOM 877 CB VAL A 54 4.579 2.158 -0.694 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.544 1.067 -0.483 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.499 2.288 0.510 1.00 0.00 C ATOM 0 H VAL A 54 6.571 3.501 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 54 5.738 0.843 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 54 4.055 3.107 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.975 1.276 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.868 1.037 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.045 0.104 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.905 2.488 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.055 1.360 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.197 3.109 0.348 1.00 0.00 H new ATOM 889 N VAL A 55 4.751 1.352 -4.238 1.00 0.00 N ATOM 890 CA VAL A 55 3.929 1.429 -5.429 1.00 0.00 C ATOM 891 C VAL A 55 2.731 0.514 -5.259 1.00 0.00 C ATOM 892 O VAL A 55 2.763 -0.657 -5.641 1.00 0.00 O ATOM 893 CB VAL A 55 4.698 1.021 -6.688 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.863 1.299 -7.927 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.038 1.740 -6.757 1.00 0.00 C ATOM 0 H VAL A 55 5.531 0.698 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 55 3.615 2.465 -5.554 1.00 0.00 H new ATOM 0 HB VAL A 55 4.897 -0.050 -6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.421 1.004 -8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.935 0.729 -7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.633 2.363 -7.979 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.568 1.436 -7.659 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.872 2.817 -6.779 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.634 1.483 -5.882 1.00 0.00 H new ATOM 905 N CYS A 56 1.685 1.058 -4.674 1.00 0.00 N ATOM 906 CA CYS A 56 0.475 0.298 -4.403 1.00 0.00 C ATOM 907 C CYS A 56 -0.651 0.660 -5.359 1.00 0.00 C ATOM 908 O CYS A 56 -0.834 1.822 -5.718 1.00 0.00 O ATOM 909 CB CYS A 56 0.020 0.529 -2.961 1.00 0.00 C ATOM 910 SG CYS A 56 -1.586 -0.202 -2.567 1.00 0.00 S ATOM 0 H CYS A 56 1.645 2.032 -4.373 1.00 0.00 H new ATOM 0 HA CYS A 56 0.713 -0.755 -4.551 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.770 0.118 -2.285 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.025 1.602 -2.773 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.686 -1.364 -3.141 1.00 0.00 H new ATOM 916 N LYS A 57 -1.399 -0.356 -5.763 1.00 0.00 N ATOM 917 CA LYS A 57 -2.525 -0.175 -6.659 1.00 0.00 C ATOM 918 C LYS A 57 -3.746 -0.888 -6.100 1.00 0.00 C ATOM 919 O LYS A 57 -3.757 -2.115 -5.958 1.00 0.00 O ATOM 920 CB LYS A 57 -2.202 -0.717 -8.050 1.00 0.00 C ATOM 921 CG LYS A 57 -0.816 -0.341 -8.547 1.00 0.00 C ATOM 922 CD LYS A 57 -0.560 -0.884 -9.943 1.00 0.00 C ATOM 923 CE LYS A 57 0.824 -0.503 -10.444 1.00 0.00 C ATOM 924 NZ LYS A 57 1.088 -1.035 -11.809 1.00 0.00 N ATOM 0 H LYS A 57 -1.242 -1.323 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.733 0.892 -6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.291 -1.803 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.944 -0.345 -8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.712 0.744 -8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.064 -0.730 -7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.660 -1.969 -9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.315 -0.499 -10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.920 0.583 -10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.577 -0.884 -9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.042 -0.753 -12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.022 -2.073 -11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.385 -0.652 -12.473 1.00 0.00 H new ATOM 938 N TYR A 58 -4.765 -0.112 -5.768 1.00 0.00 N ATOM 939 CA TYR A 58 -5.995 -0.666 -5.227 1.00 0.00 C ATOM 940 C TYR A 58 -6.893 -1.135 -6.366 1.00 0.00 C ATOM 941 O TYR A 58 -7.380 -0.328 -7.159 1.00 0.00 O ATOM 942 CB TYR A 58 -6.717 0.378 -4.360 1.00 0.00 C ATOM 943 CG TYR A 58 -7.831 -0.187 -3.505 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.791 -1.039 -4.043 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.924 0.138 -2.156 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.811 -1.550 -3.270 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.945 -0.370 -1.377 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.885 -1.210 -1.938 1.00 0.00 C ATOM 949 OH TYR A 58 -10.901 -1.717 -1.160 1.00 0.00 O ATOM 0 H TYR A 58 -4.765 0.903 -5.864 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.754 -1.521 -4.596 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.987 0.863 -3.712 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.129 1.150 -5.009 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.735 -1.305 -5.088 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.190 0.795 -1.713 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.546 -2.211 -3.705 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.008 -0.110 -0.331 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.810 -1.382 -0.244 1.00 0.00 H new ATOM 959 N THR A 59 -7.109 -2.444 -6.441 1.00 0.00 N ATOM 960 CA THR A 59 -7.941 -3.024 -7.489 1.00 0.00 C ATOM 961 C THR A 59 -9.225 -3.615 -6.915 1.00 0.00 C ATOM 962 O THR A 59 -9.187 -4.611 -6.197 1.00 0.00 O ATOM 963 CB THR A 59 -7.187 -4.127 -8.252 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.881 -3.665 -8.619 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.950 -4.539 -9.501 1.00 0.00 C ATOM 0 H THR A 59 -6.719 -3.124 -5.788 1.00 0.00 H new ATOM 0 HA THR A 59 -8.192 -2.215 -8.175 1.00 0.00 H new ATOM 0 HB THR A 59 -7.096 -4.993 -7.596 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.407 -4.374 -9.103 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.398 -5.320 -10.024 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.933 -4.917 -9.219 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.067 -3.676 -10.157 1.00 0.00 H new ATOM 973 N PRO A 60 -10.380 -3.000 -7.220 1.00 0.00 N ATOM 974 CA PRO A 60 -11.677 -3.454 -6.754 1.00 0.00 C ATOM 975 C PRO A 60 -12.420 -4.258 -7.817 1.00 0.00 C ATOM 976 O PRO A 60 -13.630 -4.109 -7.983 1.00 0.00 O ATOM 977 CB PRO A 60 -12.379 -2.126 -6.503 1.00 0.00 C ATOM 978 CG PRO A 60 -11.839 -1.204 -7.555 1.00 0.00 C ATOM 979 CD PRO A 60 -10.527 -1.782 -8.027 1.00 0.00 C ATOM 0 HA PRO A 60 -11.622 -4.119 -5.892 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.461 -2.229 -6.584 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.169 -1.750 -5.502 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.540 -1.115 -8.385 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.694 -0.202 -7.151 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.548 -2.007 -9.093 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.701 -1.090 -7.863 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.566 -6.699 -4.480 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.543 -6.822 -3.454 1.00 0.00 C ATOM 1137 C ILE A 73 -6.748 -5.532 -3.320 1.00 0.00 C ATOM 1138 O ILE A 73 -7.143 -4.485 -3.834 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.555 -7.969 -3.738 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.946 -7.838 -5.132 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.216 -9.323 -3.562 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.585 -8.491 -5.236 1.00 0.00 C ATOM 0 HA ILE A 73 -8.075 -7.039 -2.528 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.748 -7.895 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.618 -8.289 -5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.859 -6.782 -5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.492 -10.111 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.576 -9.422 -2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.055 -9.410 -4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.199 -8.368 -6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.902 -8.023 -4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.673 -9.553 -5.008 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.623 -5.621 -2.624 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.755 -4.477 -2.412 1.00 0.00 C ATOM 1156 C TYR A 74 -3.310 -4.843 -2.745 1.00 0.00 C ATOM 1157 O TYR A 74 -2.624 -5.479 -1.944 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.869 -4.013 -0.959 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.265 -4.171 -0.384 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.667 -5.365 0.208 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.178 -3.128 -0.429 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.933 -5.511 0.735 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.450 -3.271 0.099 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.820 -4.463 0.680 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.084 -4.605 1.204 1.00 0.00 O ATOM 0 H TYR A 74 -5.290 -6.484 -2.194 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.062 -3.664 -3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.166 -4.580 -0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.574 -2.966 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.975 -6.192 0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.893 -2.190 -0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.226 -6.446 1.189 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.150 -2.450 0.055 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.583 -3.770 1.084 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.856 -4.449 -3.933 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.500 -4.745 -4.375 1.00 0.00 C ATOM 1177 C VAL A 75 -0.531 -3.684 -3.885 1.00 0.00 C ATOM 1178 O VAL A 75 -0.611 -2.526 -4.284 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.412 -4.838 -5.913 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.034 -4.980 -6.364 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.250 -5.997 -6.425 1.00 0.00 C ATOM 0 H VAL A 75 -3.412 -3.922 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.229 -5.712 -3.950 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.809 -3.914 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.071 -5.044 -7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.606 -4.114 -6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.463 -5.885 -5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.176 -6.047 -7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.885 -6.929 -5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.291 -5.848 -6.139 1.00 0.00 H new ATOM 1191 N VAL A 76 0.381 -4.085 -3.015 1.00 0.00 N ATOM 1192 CA VAL A 76 1.360 -3.153 -2.466 1.00 0.00 C ATOM 1193 C VAL A 76 2.798 -3.554 -2.797 1.00 0.00 C ATOM 1194 O VAL A 76 3.249 -4.639 -2.435 1.00 0.00 O ATOM 1195 CB VAL A 76 1.222 -3.041 -0.938 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.117 -1.933 -0.408 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.227 -2.805 -0.542 1.00 0.00 C ATOM 0 H VAL A 76 0.466 -5.042 -2.674 1.00 0.00 H new ATOM 0 HA VAL A 76 1.151 -2.190 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 76 1.540 -3.983 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.009 -1.865 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.155 -2.154 -0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.829 -0.985 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.300 -2.729 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.582 -1.879 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.839 -3.637 -0.890 1.00 0.00 H new ATOM 1207 N LEU A 77 3.511 -2.665 -3.492 1.00 0.00 N ATOM 1208 CA LEU A 77 4.908 -2.901 -3.843 1.00 0.00 C ATOM 1209 C LEU A 77 5.801 -1.974 -3.041 1.00 0.00 C ATOM 1210 O LEU A 77 5.999 -0.820 -3.408 1.00 0.00 O ATOM 1211 CB LEU A 77 5.148 -2.675 -5.337 1.00 0.00 C ATOM 1212 CG LEU A 77 4.496 -3.707 -6.260 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.796 -3.384 -7.715 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.969 -5.110 -5.913 1.00 0.00 C ATOM 0 H LEU A 77 3.140 -1.774 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 77 5.146 -3.939 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.777 -1.685 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.222 -2.673 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 77 3.417 -3.666 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.325 -4.128 -8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.405 -2.396 -7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.874 -3.396 -7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.494 -5.829 -6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.051 -5.168 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.701 -5.340 -4.882 1.00 0.00 H new ATOM 1226 N VAL A 78 6.351 -2.481 -1.952 1.00 0.00 N ATOM 1227 CA VAL A 78 7.202 -1.666 -1.098 1.00 0.00 C ATOM 1228 C VAL A 78 8.672 -1.826 -1.469 1.00 0.00 C ATOM 1229 O VAL A 78 9.290 -2.852 -1.183 1.00 0.00 O ATOM 1230 CB VAL A 78 6.998 -2.005 0.392 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.892 -0.731 1.224 1.00 0.00 C ATOM 1232 CG2 VAL A 78 5.759 -2.867 0.577 1.00 0.00 C ATOM 0 H VAL A 78 6.227 -3.444 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 78 6.912 -0.628 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 78 7.865 -2.568 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.748 -0.992 2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.808 -0.149 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.044 -0.140 0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.630 -3.097 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.884 -2.329 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.874 -3.794 0.016 1.00 0.00 H new ATOM 1242 N LYS A 79 9.219 -0.801 -2.119 1.00 0.00 N ATOM 1243 CA LYS A 79 10.615 -0.808 -2.542 1.00 0.00 C ATOM 1244 C LYS A 79 11.461 0.107 -1.657 1.00 0.00 C ATOM 1245 O LYS A 79 11.422 1.327 -1.804 1.00 0.00 O ATOM 1246 CB LYS A 79 10.727 -0.366 -4.001 1.00 0.00 C ATOM 1247 CG LYS A 79 10.563 -1.503 -4.995 1.00 0.00 C ATOM 1248 CD LYS A 79 10.740 -1.023 -6.427 1.00 0.00 C ATOM 1249 CE LYS A 79 9.605 -0.107 -6.858 1.00 0.00 C ATOM 1250 NZ LYS A 79 8.287 -0.798 -6.809 1.00 0.00 N ATOM 0 H LYS A 79 8.712 0.049 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 79 10.992 -1.826 -2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.970 0.393 -4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.698 0.104 -4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.292 -2.284 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.575 -1.949 -4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.689 -0.495 -6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.788 -1.883 -7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.580 0.770 -6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.791 0.250 -7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.625 -0.330 -7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.406 -1.792 -7.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.908 -0.755 -5.841 1.00 0.00 H new ATOM 1264 N PRO A 80 12.240 -0.474 -0.728 1.00 0.00 N ATOM 1265 CA PRO A 80 13.094 0.295 0.186 1.00 0.00 C ATOM 1266 C PRO A 80 13.938 1.351 -0.524 1.00 0.00 C ATOM 1267 O PRO A 80 14.976 1.041 -1.107 1.00 0.00 O ATOM 1268 CB PRO A 80 13.994 -0.772 0.804 1.00 0.00 C ATOM 1269 CG PRO A 80 13.188 -2.021 0.753 1.00 0.00 C ATOM 1270 CD PRO A 80 12.347 -1.927 -0.489 1.00 0.00 C ATOM 0 HA PRO A 80 12.501 0.857 0.908 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.924 -0.878 0.245 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.265 -0.517 1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.833 -2.899 0.721 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.562 -2.117 1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.816 -2.438 -1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.367 -2.383 -0.345 1.00 0.00 H new ATOM 1278 N ARG A 81 13.482 2.600 -0.473 1.00 0.00 N ATOM 1279 CA ARG A 81 14.204 3.704 -1.091 1.00 0.00 C ATOM 1280 C ARG A 81 15.399 4.114 -0.237 1.00 0.00 C ATOM 1281 O ARG A 81 16.436 4.525 -0.758 1.00 0.00 O ATOM 1282 CB ARG A 81 13.277 4.900 -1.285 1.00 0.00 C ATOM 1283 CG ARG A 81 13.028 5.230 -2.741 1.00 0.00 C ATOM 1284 CD ARG A 81 12.120 6.437 -2.887 1.00 0.00 C ATOM 1285 NE ARG A 81 11.991 6.858 -4.280 1.00 0.00 N ATOM 1286 CZ ARG A 81 10.939 7.516 -4.760 1.00 0.00 C ATOM 1287 NH1 ARG A 81 9.922 7.817 -3.964 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.903 7.869 -6.037 1.00 0.00 N ATOM 0 H ARG A 81 12.615 2.871 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 81 14.566 3.369 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.324 4.696 -0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.708 5.770 -0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.978 5.425 -3.239 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.577 4.371 -3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.134 6.200 -2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.515 7.262 -2.294 1.00 0.00 H new ATOM 0 HE ARG A 81 12.752 6.634 -4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.945 7.544 -2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.117 8.322 -4.334 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.682 7.636 -6.653 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.096 8.373 -6.404 1.00 0.00 H new ATOM 1302 N LYS A 82 15.242 4.000 1.079 1.00 0.00 N ATOM 1303 CA LYS A 82 16.303 4.362 2.012 1.00 0.00 C ATOM 1304 C LYS A 82 16.720 3.162 2.855 1.00 0.00 C ATOM 1305 O LYS A 82 15.983 2.181 2.962 1.00 0.00 O ATOM 1306 CB LYS A 82 15.841 5.501 2.924 1.00 0.00 C ATOM 1307 CG LYS A 82 15.399 6.746 2.171 1.00 0.00 C ATOM 1308 CD LYS A 82 15.029 7.871 3.124 1.00 0.00 C ATOM 1309 CE LYS A 82 14.576 9.112 2.373 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.639 9.636 1.471 1.00 0.00 N ATOM 0 H LYS A 82 14.389 3.659 1.523 1.00 0.00 H new ATOM 0 HA LYS A 82 17.164 4.694 1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.015 5.148 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.654 5.766 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.200 7.076 1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.543 6.506 1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.234 7.538 3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.887 8.116 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.687 8.877 1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.293 9.885 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.373 10.584 1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.538 9.692 1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.749 8.998 0.657 1.00 0.00 H new ATOM 1324 N ARG A 83 17.905 3.248 3.448 1.00 0.00 N ATOM 1325 CA ARG A 83 18.423 2.172 4.284 1.00 0.00 C ATOM 1326 C ARG A 83 18.299 2.522 5.763 1.00 0.00 C ATOM 1327 O ARG A 83 18.792 3.560 6.208 1.00 0.00 O ATOM 1328 CB ARG A 83 19.884 1.895 3.934 1.00 0.00 C ATOM 1329 CG ARG A 83 20.104 1.565 2.468 1.00 0.00 C ATOM 1330 CD ARG A 83 21.583 1.471 2.136 1.00 0.00 C ATOM 1331 NE ARG A 83 21.809 1.136 0.732 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.007 0.862 0.223 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.082 0.885 0.999 1.00 0.00 N ATOM 1334 NH2 ARG A 83 23.129 0.565 -1.063 1.00 0.00 N ATOM 0 H ARG A 83 18.526 4.053 3.365 1.00 0.00 H new ATOM 0 HA ARG A 83 17.831 1.277 4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.484 2.767 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.244 1.066 4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.615 0.620 2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.638 2.331 1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.067 2.421 2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.049 0.716 2.768 1.00 0.00 H new ATOM 0 HE ARG A 83 21.003 1.111 0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 83 23.992 1.113 1.989 1.00 0.00 H new ATOM 0 HH12 ARG A 83 24.999 0.674 0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.304 0.547 -1.663 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.048 0.355 -1.453 1.00 0.00 H new ATOM 1348 N GLY A 84 17.638 1.652 6.520 1.00 0.00 N ATOM 1349 CA GLY A 84 17.463 1.887 7.941 1.00 0.00 C ATOM 1350 C GLY A 84 16.144 1.349 8.461 1.00 0.00 C ATOM 1351 O GLY A 84 15.458 0.596 7.769 1.00 0.00 O ATOM 0 H GLY A 84 17.220 0.788 6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.283 1.420 8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.518 2.958 8.138 1.00 0.00 H new ATOM 1355 N HIS A 85 15.790 1.733 9.683 1.00 0.00 N ATOM 1356 CA HIS A 85 14.544 1.286 10.295 1.00 0.00 C ATOM 1357 C HIS A 85 13.342 1.793 9.508 1.00 0.00 C ATOM 1358 O HIS A 85 12.949 2.953 9.634 1.00 0.00 O ATOM 1359 CB HIS A 85 14.459 1.768 11.745 1.00 0.00 C ATOM 1360 CG HIS A 85 15.487 1.155 12.646 1.00 0.00 C ATOM 1361 ND1 HIS A 85 15.201 0.709 13.920 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.807 0.917 12.455 1.00 0.00 C ATOM 1363 CE1 HIS A 85 16.300 0.227 14.473 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.287 0.341 13.604 1.00 0.00 N ATOM 0 H HIS A 85 16.349 2.353 10.269 1.00 0.00 H new ATOM 0 HA HIS A 85 14.533 0.196 10.282 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.571 2.852 11.765 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.466 1.543 12.135 1.00 0.00 H new ATOM 0 HD2 HIS A 85 17.376 1.139 11.564 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.377 -0.189 15.467 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.251 0.048 13.761 1.00 0.00 H new ATOM 1373 N HIS A 86 12.765 0.917 8.691 1.00 0.00 N ATOM 1374 CA HIS A 86 11.608 1.280 7.881 1.00 0.00 C ATOM 1375 C HIS A 86 10.547 0.183 7.921 1.00 0.00 C ATOM 1376 O HIS A 86 10.829 -0.968 8.266 1.00 0.00 O ATOM 1377 CB HIS A 86 12.034 1.553 6.438 1.00 0.00 C ATOM 1378 CG HIS A 86 13.093 2.607 6.320 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.004 3.834 6.942 1.00 0.00 N ATOM 1380 CD2 HIS A 86 14.273 2.608 5.654 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.084 4.545 6.663 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.868 3.824 5.885 1.00 0.00 N ATOM 0 H HIS A 86 13.079 -0.046 8.573 1.00 0.00 H new ATOM 0 HA HIS A 86 11.174 2.189 8.298 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.401 0.628 5.994 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.161 1.859 5.861 1.00 0.00 H new ATOM 0 HD2 HIS A 86 14.671 1.803 5.054 1.00 0.00 H new ATOM 0 HE1 HIS A 86 14.289 5.546 7.013 1.00 0.00 H new ATOM 0 HE2 HIS A 86 15.771 4.122 5.515 1.00 0.00 H new ATOM 1391 N THR A 87 9.323 0.542 7.564 1.00 0.00 N ATOM 1392 CA THR A 87 8.228 -0.413 7.573 1.00 0.00 C ATOM 1393 C THR A 87 7.027 0.108 6.799 1.00 0.00 C ATOM 1394 O THR A 87 6.759 1.310 6.785 1.00 0.00 O ATOM 1395 CB THR A 87 7.787 -0.732 9.013 1.00 0.00 C ATOM 1396 OG1 THR A 87 8.832 -1.423 9.703 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.521 -1.573 9.021 1.00 0.00 C ATOM 0 H THR A 87 9.065 1.483 7.266 1.00 0.00 H new ATOM 0 HA THR A 87 8.597 -1.319 7.092 1.00 0.00 H new ATOM 0 HB THR A 87 7.578 0.209 9.521 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.440 -2.044 10.352 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.231 -1.784 10.050 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.719 -1.028 8.523 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.704 -2.511 8.496 1.00 0.00 H new ATOM 1405 N LEU A 88 6.309 -0.804 6.155 1.00 0.00 N ATOM 1406 CA LEU A 88 5.121 -0.427 5.400 1.00 0.00 C ATOM 1407 C LEU A 88 3.952 -0.213 6.346 1.00 0.00 C ATOM 1408 O LEU A 88 3.388 -1.172 6.873 1.00 0.00 O ATOM 1409 CB LEU A 88 4.755 -1.500 4.379 1.00 0.00 C ATOM 1410 CG LEU A 88 3.455 -1.245 3.614 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.619 -0.074 2.660 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.027 -2.496 2.864 1.00 0.00 C ATOM 0 H LEU A 88 6.526 -1.801 6.140 1.00 0.00 H new ATOM 0 HA LEU A 88 5.340 0.499 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.570 -1.591 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.675 -2.458 4.893 1.00 0.00 H new ATOM 0 HG LEU A 88 2.674 -0.992 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.684 0.093 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.879 0.822 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.412 -0.295 1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.101 -2.298 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.805 -2.780 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.868 -3.309 3.573 1.00 0.00 H new ATOM 1424 N GLU A 89 3.605 1.046 6.568 1.00 0.00 N ATOM 1425 CA GLU A 89 2.502 1.384 7.450 1.00 0.00 C ATOM 1426 C GLU A 89 1.168 1.317 6.722 1.00 0.00 C ATOM 1427 O GLU A 89 0.783 2.255 6.029 1.00 0.00 O ATOM 1428 CB GLU A 89 2.703 2.781 8.035 1.00 0.00 C ATOM 1429 CG GLU A 89 3.942 2.894 8.903 1.00 0.00 C ATOM 1430 CD GLU A 89 4.079 4.256 9.553 1.00 0.00 C ATOM 1431 OE1 GLU A 89 4.703 5.147 8.939 1.00 0.00 O ATOM 1432 OE2 GLU A 89 3.562 4.434 10.676 1.00 0.00 O ATOM 0 H GLU A 89 4.073 1.850 6.149 1.00 0.00 H new ATOM 0 HA GLU A 89 2.486 0.652 8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.771 3.502 7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.828 3.049 8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.909 2.128 9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.825 2.695 8.296 1.00 0.00 H new ATOM 1439 N LEU A 90 0.475 0.194 6.871 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.831 0.015 6.248 1.00 0.00 C ATOM 1441 C LEU A 90 -1.921 0.157 7.299 1.00 0.00 C ATOM 1442 O LEU A 90 -1.631 0.198 8.493 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.934 -1.348 5.558 1.00 0.00 C ATOM 1444 CG LEU A 90 -0.117 -1.496 4.269 1.00 0.00 C ATOM 1445 CD1 LEU A 90 -0.444 -2.814 3.584 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.375 -0.329 3.326 1.00 0.00 C ATOM 0 H LEU A 90 0.795 -0.606 7.417 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.958 0.784 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.614 -2.117 6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.982 -1.542 5.328 1.00 0.00 H new ATOM 0 HG LEU A 90 0.941 -1.492 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.144 -2.905 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.205 -3.641 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.505 -2.842 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.216 -0.457 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.434 -0.297 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.092 0.603 3.815 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.172 0.226 6.866 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.272 0.384 7.806 1.00 0.00 C ATOM 1460 C VAL A 91 -5.625 0.098 7.158 1.00 0.00 C ATOM 1461 O VAL A 91 -5.806 0.293 5.951 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.289 1.817 8.377 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.469 2.832 7.258 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.374 1.980 9.432 1.00 0.00 C ATOM 0 H VAL A 91 -3.448 0.176 5.885 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.111 -0.339 8.606 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.329 1.998 8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.479 3.838 7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.646 2.742 6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.412 2.644 6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.359 3.001 9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.348 1.773 8.988 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.193 1.283 10.251 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.567 -0.370 7.976 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.920 -0.659 7.519 1.00 0.00 C ATOM 1476 C TYR A 92 -8.837 0.486 7.936 1.00 0.00 C ATOM 1477 O TYR A 92 -9.388 0.482 9.036 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.407 -1.983 8.118 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.502 -2.663 7.322 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.397 -2.813 5.944 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.634 -3.162 7.951 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.391 -3.439 5.217 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.632 -3.792 7.231 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.506 -3.928 5.865 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.497 -4.553 5.144 1.00 0.00 O ATOM 0 H TYR A 92 -6.413 -0.557 8.967 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.931 -0.754 6.433 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.560 -2.663 8.202 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.770 -1.799 9.129 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.524 -2.434 5.433 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.737 -3.056 9.021 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.295 -3.545 4.146 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.506 -4.176 7.736 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.212 -4.840 5.750 1.00 0.00 H new ATOM 1495 N THR A 93 -8.991 1.471 7.053 1.00 0.00 N ATOM 1496 CA THR A 93 -9.800 2.653 7.353 1.00 0.00 C ATOM 1497 C THR A 93 -10.866 2.928 6.305 1.00 0.00 C ATOM 1498 O THR A 93 -10.816 2.406 5.203 1.00 0.00 O ATOM 1499 CB THR A 93 -8.910 3.895 7.435 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.717 5.077 7.461 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.971 3.950 6.243 1.00 0.00 C ATOM 0 H THR A 93 -8.567 1.475 6.125 1.00 0.00 H new ATOM 0 HA THR A 93 -10.290 2.444 8.304 1.00 0.00 H new ATOM 0 HB THR A 93 -8.322 3.839 8.351 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.424 4.976 8.133 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.344 4.839 6.315 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.341 3.061 6.235 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.553 3.990 5.323 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.821 3.781 6.663 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.891 4.165 5.753 1.00 0.00 C ATOM 1511 C ARG A 94 -12.600 5.544 5.160 1.00 0.00 C ATOM 1512 O ARG A 94 -12.953 6.562 5.753 1.00 0.00 O ATOM 1513 CB ARG A 94 -14.235 4.186 6.483 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.572 2.875 7.177 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.974 2.898 7.763 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.992 3.127 6.740 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.297 2.994 6.954 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.744 2.633 8.150 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -19.158 3.221 5.971 1.00 0.00 N ATOM 0 H ARG A 94 -11.874 4.220 7.582 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.943 3.431 4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.225 4.987 7.223 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.023 4.422 5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.488 2.054 6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.848 2.686 7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.172 1.951 8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.038 3.680 8.519 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.683 3.405 5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.085 2.457 8.909 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.746 2.532 8.311 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.819 3.498 5.050 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.159 3.119 6.136 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.928 5.593 3.992 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.584 6.850 3.321 1.00 0.00 C ATOM 1535 C PRO A 95 -12.698 7.890 3.395 1.00 0.00 C ATOM 1536 O PRO A 95 -12.437 9.088 3.501 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.361 6.403 1.880 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.801 5.027 2.008 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.444 4.423 3.230 1.00 0.00 C ATOM 0 HA PRO A 95 -10.726 7.341 3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.293 6.403 1.314 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.671 7.067 1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.019 4.434 1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.716 5.056 2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.262 3.755 2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.730 3.837 3.809 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.938 7.420 3.336 1.00 0.00 N ATOM 1548 CA PHE A 96 -15.096 8.295 3.391 1.00 0.00 C ATOM 1549 C PHE A 96 -15.191 9.006 4.741 1.00 0.00 C ATOM 1550 O PHE A 96 -15.427 10.212 4.799 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.365 7.484 3.131 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.133 6.215 2.356 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.521 6.247 1.111 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.522 4.991 2.874 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.302 5.082 0.401 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.306 3.822 2.168 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.696 3.868 0.929 1.00 0.00 C ATOM 0 H PHE A 96 -14.165 6.429 3.249 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.987 9.058 2.620 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.827 7.235 4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.076 8.105 2.586 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -15.212 7.193 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.000 4.949 3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.823 5.121 -0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.614 2.874 2.584 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.528 2.957 0.375 1.00 0.00 H new ATOM 1567 N GLU A 97 -15.008 8.252 5.823 1.00 0.00 N ATOM 1568 CA GLU A 97 -15.079 8.816 7.169 1.00 0.00 C ATOM 1569 C GLU A 97 -13.692 9.196 7.687 1.00 0.00 C ATOM 1570 O GLU A 97 -13.240 10.328 7.508 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.739 7.823 8.130 1.00 0.00 C ATOM 1572 CG GLU A 97 -17.158 7.447 7.737 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.837 6.574 8.774 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -17.695 5.337 8.695 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.513 7.129 9.667 1.00 0.00 O ATOM 0 H GLU A 97 -14.810 7.252 5.794 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.684 9.721 7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -15.132 6.919 8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.750 8.252 9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.744 8.355 7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.140 6.923 6.781 1.00 0.00 H new ATOM 1582 N GLY A 98 -13.025 8.243 8.330 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.701 8.486 8.874 1.00 0.00 C ATOM 1584 C GLY A 98 -10.982 7.204 9.207 1.00 0.00 C ATOM 1585 O GLY A 98 -11.518 6.114 9.011 1.00 0.00 O ATOM 0 H GLY A 98 -13.381 7.300 8.485 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.112 9.055 8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.785 9.098 9.772 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.769 7.332 9.724 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.962 6.173 10.057 1.00 0.00 C ATOM 1591 C ILE A 99 -9.122 5.740 11.499 1.00 0.00 C ATOM 1592 O ILE A 99 -9.539 4.619 11.773 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.485 6.441 9.765 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.341 7.069 8.376 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.700 5.144 9.869 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.951 7.597 8.083 1.00 0.00 C ATOM 0 H ILE A 99 -9.324 8.228 9.921 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.322 5.359 9.428 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.083 7.141 10.498 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.603 6.326 7.623 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.057 7.885 8.281 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.648 5.338 9.660 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.802 4.737 10.875 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.087 4.426 9.146 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.928 8.026 7.081 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.692 8.364 8.812 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.231 6.781 8.144 1.00 0.00 H new ATOM 1608 N LYS A 100 -8.779 6.624 12.411 1.00 0.00 N ATOM 1609 CA LYS A 100 -8.877 6.332 13.835 1.00 0.00 C ATOM 1610 C LYS A 100 -7.846 5.288 14.252 1.00 0.00 C ATOM 1611 O LYS A 100 -7.330 4.539 13.422 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.284 5.842 14.176 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.379 6.785 13.707 1.00 0.00 C ATOM 1614 CD LYS A 100 -12.757 6.152 13.821 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.087 5.306 12.600 1.00 0.00 C ATOM 1616 NZ LYS A 100 -14.358 4.550 12.775 1.00 0.00 N ATOM 0 H LYS A 100 -8.427 7.557 12.196 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.674 7.251 14.384 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.440 4.862 13.724 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.364 5.711 15.255 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.349 7.700 14.299 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.194 7.070 12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -12.800 5.532 14.717 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.508 6.933 13.937 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.165 5.949 11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.272 4.607 12.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.547 3.986 11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.275 3.917 13.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.140 5.217 12.929 1.00 0.00 H new ATOM 1630 N PRO A 101 -7.538 5.235 15.554 1.00 0.00 N ATOM 1631 CA PRO A 101 -6.568 4.287 16.110 1.00 0.00 C ATOM 1632 C PRO A 101 -7.138 2.880 16.235 1.00 0.00 C ATOM 1633 O PRO A 101 -6.426 1.891 16.059 1.00 0.00 O ATOM 1634 CB PRO A 101 -6.284 4.871 17.492 1.00 0.00 C ATOM 1635 CG PRO A 101 -7.548 5.557 17.869 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.122 6.101 16.593 1.00 0.00 C ATOM 0 HA PRO A 101 -5.686 4.178 15.479 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.026 4.091 18.208 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.446 5.568 17.465 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.242 4.863 18.344 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.359 6.358 18.584 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.211 6.052 16.590 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.849 7.146 16.444 1.00 0.00 H new ATOM 1644 N GLU A 102 -8.428 2.802 16.542 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.106 1.520 16.699 1.00 0.00 C ATOM 1646 C GLU A 102 -8.973 0.660 15.445 1.00 0.00 C ATOM 1647 O GLU A 102 -8.860 -0.564 15.533 1.00 0.00 O ATOM 1648 CB GLU A 102 -10.579 1.739 17.025 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.258 2.685 16.062 1.00 0.00 C ATOM 1650 CD GLU A 102 -12.720 2.912 16.391 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.018 3.845 17.165 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.569 2.155 15.874 1.00 0.00 O ATOM 0 H GLU A 102 -9.027 3.614 16.688 1.00 0.00 H new ATOM 0 HA GLU A 102 -8.628 0.991 17.524 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.096 0.780 17.010 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.668 2.133 18.037 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.736 3.642 16.071 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.176 2.287 15.051 1.00 0.00 H new ATOM 1659 N ASN A 103 -8.991 1.303 14.281 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.876 0.585 13.011 1.00 0.00 C ATOM 1661 C ASN A 103 -7.623 -0.289 12.970 1.00 0.00 C ATOM 1662 O ASN A 103 -6.620 0.011 13.618 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.864 1.566 11.840 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.250 2.091 11.512 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.515 2.503 10.385 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -11.142 2.079 12.497 1.00 0.00 N ATOM 0 H ASN A 103 -9.084 2.315 14.188 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.746 -0.066 12.925 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.208 2.403 12.078 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.447 1.074 10.961 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.089 2.421 12.332 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.880 1.728 13.418 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.695 -1.373 12.199 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.588 -2.304 12.062 1.00 0.00 C ATOM 1675 C GLU A 104 -5.388 -1.656 11.381 1.00 0.00 C ATOM 1676 O GLU A 104 -5.438 -0.496 10.980 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.042 -3.522 11.262 1.00 0.00 C ATOM 1678 CG GLU A 104 -6.617 -4.832 11.888 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.001 -6.035 11.051 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -6.191 -6.444 10.191 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -8.111 -6.569 11.252 1.00 0.00 O ATOM 0 H GLU A 104 -8.521 -1.625 11.656 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.278 -2.609 13.061 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.128 -3.505 11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.635 -3.459 10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.537 -4.826 12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.071 -4.922 12.875 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.313 -2.428 11.247 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.082 -1.948 10.626 1.00 0.00 C ATOM 1690 C ARG A 105 -2.239 -3.130 10.149 1.00 0.00 C ATOM 1691 O ARG A 105 -2.496 -4.266 10.534 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.300 -1.085 11.637 1.00 0.00 C ATOM 1693 CG ARG A 105 -0.789 -1.298 11.643 1.00 0.00 C ATOM 1694 CD ARG A 105 -0.071 -0.208 10.864 1.00 0.00 C ATOM 1695 NE ARG A 105 1.217 0.137 11.461 1.00 0.00 N ATOM 1696 CZ ARG A 105 1.764 1.347 11.389 1.00 0.00 C ATOM 1697 NH1 ARG A 105 1.134 2.325 10.751 1.00 0.00 N ATOM 1698 NH2 ARG A 105 2.939 1.579 11.956 1.00 0.00 N ATOM 0 H ARG A 105 -4.270 -3.397 11.563 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.325 -1.335 9.758 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.502 -0.035 11.426 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.683 -1.289 12.637 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.426 -1.312 12.671 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.556 -2.271 11.210 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.083 -0.539 9.837 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.700 0.681 10.822 1.00 0.00 H new ATOM 0 HE ARG A 105 1.726 -0.592 11.962 1.00 0.00 H new ATOM 0 HH11 ARG A 105 0.229 2.149 10.315 1.00 0.00 H new ATOM 0 HH12 ARG A 105 1.555 3.253 10.697 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.425 0.829 12.448 1.00 0.00 H new ATOM 0 HH22 ARG A 105 3.358 2.507 11.900 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.257 -2.859 9.288 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.359 -3.899 8.787 1.00 0.00 C ATOM 1714 C TYR A 106 1.029 -3.317 8.547 1.00 0.00 C ATOM 1715 O TYR A 106 1.219 -2.471 7.674 1.00 0.00 O ATOM 1716 CB TYR A 106 -0.909 -4.546 7.511 1.00 0.00 C ATOM 1717 CG TYR A 106 0.059 -5.471 6.815 1.00 0.00 C ATOM 1718 CD1 TYR A 106 1.026 -4.986 5.943 1.00 0.00 C ATOM 1719 CD2 TYR A 106 -0.004 -6.840 7.027 1.00 0.00 C ATOM 1720 CE1 TYR A 106 1.903 -5.841 5.305 1.00 0.00 C ATOM 1721 CE2 TYR A 106 0.866 -7.700 6.395 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.819 -7.198 5.534 1.00 0.00 C ATOM 1723 OH TYR A 106 2.690 -8.055 4.902 1.00 0.00 O ATOM 0 H TYR A 106 -1.064 -1.926 8.923 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.287 -4.682 9.542 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.811 -5.105 7.761 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.204 -3.759 6.817 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.093 -3.923 5.761 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.749 -7.239 7.700 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.650 -5.449 4.631 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.802 -8.763 6.573 1.00 0.00 H new ATOM 0 HH TYR A 106 2.497 -8.977 5.173 1.00 0.00 H new ATOM 1733 N THR A 107 1.991 -3.782 9.333 1.00 0.00 N ATOM 1734 CA THR A 107 3.357 -3.305 9.247 1.00 0.00 C ATOM 1735 C THR A 107 4.274 -4.298 8.537 1.00 0.00 C ATOM 1736 O THR A 107 4.309 -5.477 8.886 1.00 0.00 O ATOM 1737 CB THR A 107 3.904 -3.057 10.658 1.00 0.00 C ATOM 1738 OG1 THR A 107 3.157 -3.825 11.611 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.831 -1.580 11.022 1.00 0.00 C ATOM 0 H THR A 107 1.843 -4.498 10.044 1.00 0.00 H new ATOM 0 HA THR A 107 3.340 -2.382 8.667 1.00 0.00 H new ATOM 0 HB THR A 107 4.949 -3.365 10.677 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.511 -3.664 12.510 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.225 -1.433 12.028 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.422 -1.001 10.312 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.794 -1.247 10.987 1.00 0.00 H new ATOM 1747 N LEU A 108 5.014 -3.818 7.539 1.00 0.00 N ATOM 1748 CA LEU A 108 5.950 -4.675 6.814 1.00 0.00 C ATOM 1749 C LEU A 108 7.366 -4.478 7.342 1.00 0.00 C ATOM 1750 O LEU A 108 7.989 -3.440 7.113 1.00 0.00 O ATOM 1751 CB LEU A 108 5.907 -4.407 5.310 1.00 0.00 C ATOM 1752 CG LEU A 108 6.821 -5.301 4.466 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.559 -6.772 4.757 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.631 -5.009 2.987 1.00 0.00 C ATOM 0 H LEU A 108 4.985 -2.851 7.217 1.00 0.00 H new ATOM 0 HA LEU A 108 5.648 -5.709 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.881 -4.532 4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.179 -3.366 5.134 1.00 0.00 H new ATOM 0 HG LEU A 108 7.854 -5.081 4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.220 -7.387 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.748 -6.974 5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.522 -7.010 4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.288 -5.653 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.594 -5.199 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.874 -3.965 2.788 1.00 0.00 H new ATOM 1766 N HIS A 109 7.840 -5.496 8.053 1.00 0.00 N ATOM 1767 CA HIS A 109 9.168 -5.525 8.671 1.00 0.00 C ATOM 1768 C HIS A 109 10.303 -5.158 7.711 1.00 0.00 C ATOM 1769 O HIS A 109 11.115 -6.019 7.380 1.00 0.00 O ATOM 1770 CB HIS A 109 9.407 -6.943 9.207 1.00 0.00 C ATOM 1771 CG HIS A 109 8.896 -8.022 8.302 1.00 0.00 C ATOM 1772 ND1 HIS A 109 9.686 -8.650 7.362 1.00 0.00 N ATOM 1773 CD2 HIS A 109 7.669 -8.585 8.196 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.966 -9.552 6.718 1.00 0.00 C ATOM 1775 NE2 HIS A 109 7.740 -9.533 7.205 1.00 0.00 N ATOM 0 H HIS A 109 7.301 -6.346 8.222 1.00 0.00 H new ATOM 0 HA HIS A 109 9.179 -4.774 9.461 1.00 0.00 H new ATOM 0 HB2 HIS A 109 10.476 -7.088 9.363 1.00 0.00 H new ATOM 0 HB3 HIS A 109 8.927 -7.040 10.181 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.797 -8.335 8.782 1.00 0.00 H new ATOM 0 HE1 HIS A 109 9.321 -10.196 5.927 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.970 -10.126 6.896 1.00 0.00 H new ATOM 1784 N LEU A 110 10.423 -3.875 7.337 1.00 0.00 N ATOM 1785 CA LEU A 110 11.458 -3.462 6.388 1.00 0.00 C ATOM 1786 C LEU A 110 12.559 -2.619 7.034 1.00 0.00 C ATOM 1787 O LEU A 110 12.724 -1.446 6.700 1.00 0.00 O ATOM 1788 CB LEU A 110 10.833 -2.676 5.234 1.00 0.00 C ATOM 1789 CG LEU A 110 9.833 -3.455 4.379 1.00 0.00 C ATOM 1790 CD1 LEU A 110 9.161 -2.534 3.374 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.522 -4.611 3.669 1.00 0.00 C ATOM 0 H LEU A 110 9.825 -3.120 7.673 1.00 0.00 H new ATOM 0 HA LEU A 110 11.921 -4.377 6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.331 -1.799 5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.633 -2.313 4.588 1.00 0.00 H new ATOM 0 HG LEU A 110 9.066 -3.866 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.453 -3.105 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.632 -1.742 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.916 -2.094 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.794 -5.153 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.311 -4.224 3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.955 -5.285 4.408 1.00 0.00 H new ATOM 1803 N ASN A 111 13.305 -3.215 7.956 1.00 0.00 N ATOM 1804 CA ASN A 111 14.409 -2.519 8.611 1.00 0.00 C ATOM 1805 C ASN A 111 15.625 -2.519 7.687 1.00 0.00 C ATOM 1806 O ASN A 111 16.725 -2.913 8.077 1.00 0.00 O ATOM 1807 CB ASN A 111 14.747 -3.185 9.948 1.00 0.00 C ATOM 1808 CG ASN A 111 15.891 -2.500 10.670 1.00 0.00 C ATOM 1809 OD1 ASN A 111 16.124 -1.305 10.498 1.00 0.00 O ATOM 1810 ND2 ASN A 111 16.613 -3.260 11.487 1.00 0.00 N ATOM 0 H ASN A 111 13.167 -4.176 8.268 1.00 0.00 H new ATOM 0 HA ASN A 111 14.114 -1.490 8.815 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.864 -3.178 10.586 1.00 0.00 H new ATOM 0 HB3 ASN A 111 15.006 -4.229 9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 111 17.396 -2.856 12.001 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.384 -4.248 11.600 1.00 0.00 H new ATOM 1817 N VAL A 112 15.391 -2.074 6.454 1.00 0.00 N ATOM 1818 CA VAL A 112 16.414 -2.010 5.409 1.00 0.00 C ATOM 1819 C VAL A 112 17.818 -1.825 5.978 1.00 0.00 C ATOM 1820 O VAL A 112 18.033 -1.019 6.883 1.00 0.00 O ATOM 1821 CB VAL A 112 16.121 -0.859 4.424 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.769 -1.129 3.077 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.622 -0.650 4.268 1.00 0.00 C ATOM 0 H VAL A 112 14.476 -1.744 6.148 1.00 0.00 H new ATOM 0 HA VAL A 112 16.378 -2.967 4.888 1.00 0.00 H new ATOM 0 HB VAL A 112 16.550 0.056 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.551 -0.306 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.848 -1.219 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.374 -2.057 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.439 0.166 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.165 -1.563 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.186 -0.403 5.236 1.00 0.00 H new ATOM 1833 N LYS A 113 18.771 -2.579 5.435 1.00 0.00 N ATOM 1834 CA LYS A 113 20.156 -2.503 5.885 1.00 0.00 C ATOM 1835 C LYS A 113 20.786 -1.172 5.492 1.00 0.00 C ATOM 1836 O LYS A 113 21.301 -1.073 4.358 1.00 0.00 O ATOM 1837 CB LYS A 113 20.967 -3.661 5.299 1.00 0.00 C ATOM 1838 CG LYS A 113 20.519 -5.034 5.780 1.00 0.00 C ATOM 1839 CD LYS A 113 21.285 -5.481 7.018 1.00 0.00 C ATOM 1840 CE LYS A 113 20.865 -4.706 8.256 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.578 -5.178 9.475 1.00 0.00 N ATOM 1842 OXT LYS A 113 20.760 -0.238 6.321 1.00 0.00 O ATOM 0 H LYS A 113 18.608 -3.249 4.683 1.00 0.00 H new ATOM 0 HA LYS A 113 20.163 -2.577 6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.897 -3.627 4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.017 -3.522 5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.452 -5.010 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.662 -5.763 4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 113 21.119 -6.546 7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 113 22.354 -5.347 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 113 21.066 -3.645 8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 113 19.790 -4.809 8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 21.264 -4.624 10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 21.366 -6.184 9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.603 -5.056 9.347 1.00 0.00 H new