USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 578 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 119 LYS NZ :NH3+ -122:sc= 0.201 (180deg=0) USER MOD Set 1.2: A 121 TYR OH : rot 180:sc= -0.946 USER MOD Set 2.1: A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 118 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 79 HIS : no HD1:sc= -1.58! C(o=-1.3!,f=-4.4!) USER MOD Set 3.2: A 125 SER OG : rot -93:sc= 0.245 USER MOD Single : A 86 SER OG : rot 180:sc= -0.407 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -156:sc=-0.00854 (180deg=-0.0553) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl -136:sc= -0.135 (180deg=-0.676) USER MOD Single : A 115 THR OG1 : rot -170:sc= 0.00623 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 ASN : amide:sc= -0.063 K(o=-0.063,f=-1.1) USER MOD Single : A 129 LYS NZ :NH3+ 148:sc= 0.567 (180deg=0.169) USER MOD Single : A 134 ASN : amide:sc= -0.829 K(o=-0.83,f=-3.3!) USER MOD Single : A 137 GLN :FLIP amide:sc= -0.214 F(o=-1.6,f=-0.21) USER MOD Single : A 138 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 MET CE :methyl -154:sc= -2.42 (180deg=-4.25!) USER MOD Single : A 142 GLN : amide:sc= -0.593 K(o=-0.59,f=-2.4) USER MOD Single : A 148 GLN : amide:sc= -0.0275 X(o=-0.028,f=-0.16) USER MOD Single : A 151 THR OG1 : rot 91:sc= -0.923 USER MOD Single : A 152 ASN : amide:sc= 0.385 K(o=0.38,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 195 N PHE A 78 7.278 7.768 -1.879 1.00 0.00 N ATOM 196 CA PHE A 78 5.836 7.755 -2.091 1.00 0.00 C ATOM 197 C PHE A 78 5.215 6.479 -1.531 1.00 0.00 C ATOM 198 O PHE A 78 5.357 5.401 -2.109 1.00 0.00 O ATOM 199 CB PHE A 78 5.517 7.879 -3.583 1.00 0.00 C ATOM 200 CG PHE A 78 6.069 9.126 -4.212 1.00 0.00 C ATOM 201 CD1 PHE A 78 5.410 10.337 -4.076 1.00 0.00 C ATOM 202 CD2 PHE A 78 7.248 9.087 -4.940 1.00 0.00 C ATOM 203 CE1 PHE A 78 5.916 11.485 -4.655 1.00 0.00 C ATOM 204 CE2 PHE A 78 7.758 10.233 -5.521 1.00 0.00 C ATOM 205 CZ PHE A 78 7.092 11.434 -5.377 1.00 0.00 C ATOM 0 HA PHE A 78 5.409 8.608 -1.563 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.917 7.010 -4.105 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.436 7.862 -3.718 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.491 10.384 -3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.774 8.151 -5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.392 12.422 -4.543 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.677 10.189 -6.087 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.490 12.331 -5.828 1.00 0.00 H new ATOM 215 N HIS A 79 4.527 6.608 -0.401 1.00 0.00 N ATOM 216 CA HIS A 79 3.884 5.466 0.238 1.00 0.00 C ATOM 217 C HIS A 79 2.539 5.164 -0.416 1.00 0.00 C ATOM 218 O HIS A 79 1.870 6.061 -0.927 1.00 0.00 O ATOM 219 CB HIS A 79 3.691 5.732 1.731 1.00 0.00 C ATOM 220 CG HIS A 79 4.891 6.337 2.392 1.00 0.00 C ATOM 221 ND1 HIS A 79 5.972 6.823 1.688 1.00 0.00 N ATOM 222 CD2 HIS A 79 5.175 6.535 3.700 1.00 0.00 C ATOM 223 CE1 HIS A 79 6.871 7.293 2.535 1.00 0.00 C ATOM 224 NE2 HIS A 79 6.412 7.130 3.763 1.00 0.00 N ATOM 0 H HIS A 79 4.401 7.493 0.091 1.00 0.00 H new ATOM 0 HA HIS A 79 4.532 4.598 0.113 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.838 6.397 1.866 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.446 4.794 2.230 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.546 6.274 4.539 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.820 7.735 2.269 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.897 7.402 4.618 1.00 0.00 H new ATOM 232 N VAL A 80 2.149 3.893 -0.396 1.00 0.00 N ATOM 233 CA VAL A 80 0.884 3.472 -0.986 1.00 0.00 C ATOM 234 C VAL A 80 0.024 2.728 0.030 1.00 0.00 C ATOM 235 O VAL A 80 0.540 2.018 0.894 1.00 0.00 O ATOM 236 CB VAL A 80 1.110 2.568 -2.212 1.00 0.00 C ATOM 237 CG1 VAL A 80 -0.201 1.938 -2.659 1.00 0.00 C ATOM 238 CG2 VAL A 80 1.746 3.358 -3.346 1.00 0.00 C ATOM 0 H VAL A 80 2.691 3.137 0.023 1.00 0.00 H new ATOM 0 HA VAL A 80 0.365 4.377 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 80 1.793 1.767 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.022 1.303 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.611 1.337 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.910 2.722 -2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.899 2.704 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.090 4.181 -3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.706 3.756 -3.018 1.00 0.00 H new ATOM 248 N PHE A 81 -1.289 2.894 -0.080 1.00 0.00 N ATOM 249 CA PHE A 81 -2.222 2.237 0.829 1.00 0.00 C ATOM 250 C PHE A 81 -2.791 0.968 0.202 1.00 0.00 C ATOM 251 O PHE A 81 -3.194 0.964 -0.962 1.00 0.00 O ATOM 252 CB PHE A 81 -3.359 3.190 1.202 1.00 0.00 C ATOM 253 CG PHE A 81 -4.586 2.489 1.711 1.00 0.00 C ATOM 254 CD1 PHE A 81 -4.588 1.885 2.958 1.00 0.00 C ATOM 255 CD2 PHE A 81 -5.738 2.433 0.942 1.00 0.00 C ATOM 256 CE1 PHE A 81 -5.715 1.239 3.430 1.00 0.00 C ATOM 257 CE2 PHE A 81 -6.868 1.789 1.409 1.00 0.00 C ATOM 258 CZ PHE A 81 -6.856 1.190 2.653 1.00 0.00 C ATOM 0 H PHE A 81 -1.732 3.478 -0.789 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.677 1.961 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.005 3.885 1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.626 3.784 0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.698 1.919 3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.753 2.898 -0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.704 0.773 4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.760 1.754 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.737 0.684 3.018 1.00 0.00 H new ATOM 268 N VAL A 82 -2.820 -0.108 0.981 1.00 0.00 N ATOM 269 CA VAL A 82 -3.340 -1.384 0.503 1.00 0.00 C ATOM 270 C VAL A 82 -4.347 -1.970 1.487 1.00 0.00 C ATOM 271 O VAL A 82 -4.080 -2.062 2.684 1.00 0.00 O ATOM 272 CB VAL A 82 -2.208 -2.402 0.277 1.00 0.00 C ATOM 273 CG1 VAL A 82 -2.700 -3.571 -0.563 1.00 0.00 C ATOM 274 CG2 VAL A 82 -1.011 -1.731 -0.378 1.00 0.00 C ATOM 0 H VAL A 82 -2.490 -0.122 1.946 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.837 -1.188 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.893 -2.789 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.886 -4.280 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.524 -4.067 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.044 -3.205 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.220 -2.466 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.309 -1.314 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.644 -0.932 0.266 1.00 0.00 H new ATOM 284 N GLY A 83 -5.508 -2.366 0.972 1.00 0.00 N ATOM 285 CA GLY A 83 -6.538 -2.939 1.819 1.00 0.00 C ATOM 286 C GLY A 83 -7.181 -4.164 1.200 1.00 0.00 C ATOM 287 O GLY A 83 -6.829 -4.565 0.091 1.00 0.00 O ATOM 0 H GLY A 83 -5.753 -2.300 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.104 -3.207 2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.304 -2.188 2.012 1.00 0.00 H new ATOM 291 N ASP A 84 -8.126 -4.760 1.919 1.00 0.00 N ATOM 292 CA ASP A 84 -8.821 -5.947 1.435 1.00 0.00 C ATOM 293 C ASP A 84 -7.830 -7.058 1.101 1.00 0.00 C ATOM 294 O ASP A 84 -7.836 -7.598 -0.006 1.00 0.00 O ATOM 295 CB ASP A 84 -9.658 -5.606 0.201 1.00 0.00 C ATOM 296 CG ASP A 84 -10.815 -6.567 0.003 1.00 0.00 C ATOM 297 OD1 ASP A 84 -10.557 -7.750 -0.301 1.00 0.00 O ATOM 298 OD2 ASP A 84 -11.977 -6.135 0.151 1.00 0.00 O ATOM 0 H ASP A 84 -8.428 -4.440 2.839 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.482 -6.300 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.044 -4.591 0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.020 -5.622 -0.683 1.00 0.00 H new ATOM 303 N LEU A 85 -6.979 -7.394 2.064 1.00 0.00 N ATOM 304 CA LEU A 85 -5.981 -8.440 1.872 1.00 0.00 C ATOM 305 C LEU A 85 -6.318 -9.673 2.704 1.00 0.00 C ATOM 306 O LEU A 85 -6.599 -9.571 3.898 1.00 0.00 O ATOM 307 CB LEU A 85 -4.591 -7.922 2.248 1.00 0.00 C ATOM 308 CG LEU A 85 -4.206 -6.558 1.675 1.00 0.00 C ATOM 309 CD1 LEU A 85 -2.966 -6.018 2.369 1.00 0.00 C ATOM 310 CD2 LEU A 85 -3.980 -6.655 0.173 1.00 0.00 C ATOM 0 H LEU A 85 -6.960 -6.957 2.986 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.984 -8.722 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.527 -7.869 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.852 -8.653 1.921 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.028 -5.865 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.707 -5.047 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.164 -5.910 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.137 -6.710 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.707 -5.675 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.176 -7.363 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.895 -6.997 -0.311 1.00 0.00 H new ATOM 322 N SER A 86 -6.285 -10.839 2.065 1.00 0.00 N ATOM 323 CA SER A 86 -6.589 -12.092 2.746 1.00 0.00 C ATOM 324 C SER A 86 -5.738 -12.248 4.003 1.00 0.00 C ATOM 325 O SER A 86 -4.650 -11.683 4.121 1.00 0.00 O ATOM 326 CB SER A 86 -6.353 -13.277 1.807 1.00 0.00 C ATOM 327 OG SER A 86 -5.920 -14.419 2.526 1.00 0.00 O ATOM 0 H SER A 86 -6.051 -10.941 1.078 1.00 0.00 H new ATOM 0 HA SER A 86 -7.639 -12.072 3.039 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.273 -13.509 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.606 -13.009 1.059 1.00 0.00 H new ATOM 0 HG SER A 86 -5.778 -15.163 1.904 1.00 0.00 H new ATOM 333 N PRO A 87 -6.245 -13.033 4.966 1.00 0.00 N ATOM 334 CA PRO A 87 -5.549 -13.282 6.231 1.00 0.00 C ATOM 335 C PRO A 87 -4.304 -14.143 6.048 1.00 0.00 C ATOM 336 O PRO A 87 -3.560 -14.384 6.998 1.00 0.00 O ATOM 337 CB PRO A 87 -6.593 -14.023 7.070 1.00 0.00 C ATOM 338 CG PRO A 87 -7.493 -14.667 6.073 1.00 0.00 C ATOM 339 CD PRO A 87 -7.536 -13.737 4.892 1.00 0.00 C ATOM 0 HA PRO A 87 -5.191 -12.359 6.688 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.126 -14.764 7.719 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.143 -13.337 7.714 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.116 -15.648 5.784 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.490 -14.818 6.487 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.643 -14.283 3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.376 -13.045 4.956 1.00 0.00 H new ATOM 347 N GLU A 88 -4.084 -14.604 4.821 1.00 0.00 N ATOM 348 CA GLU A 88 -2.928 -15.440 4.515 1.00 0.00 C ATOM 349 C GLU A 88 -1.796 -14.606 3.923 1.00 0.00 C ATOM 350 O GLU A 88 -0.620 -14.940 4.075 1.00 0.00 O ATOM 351 CB GLU A 88 -3.319 -16.553 3.541 1.00 0.00 C ATOM 352 CG GLU A 88 -2.216 -16.922 2.564 1.00 0.00 C ATOM 353 CD GLU A 88 -2.254 -18.385 2.166 1.00 0.00 C ATOM 354 OE1 GLU A 88 -3.318 -19.017 2.335 1.00 0.00 O ATOM 355 OE2 GLU A 88 -1.221 -18.897 1.687 1.00 0.00 O ATOM 0 H GLU A 88 -4.690 -14.413 4.023 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.579 -15.888 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.601 -17.439 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.200 -16.241 2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.305 -16.304 1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.248 -16.696 3.012 1.00 0.00 H new ATOM 362 N ILE A 89 -2.159 -13.521 3.248 1.00 0.00 N ATOM 363 CA ILE A 89 -1.174 -12.639 2.634 1.00 0.00 C ATOM 364 C ILE A 89 -0.192 -12.105 3.671 1.00 0.00 C ATOM 365 O ILE A 89 -0.591 -11.637 4.738 1.00 0.00 O ATOM 366 CB ILE A 89 -1.848 -11.451 1.922 1.00 0.00 C ATOM 367 CG1 ILE A 89 -2.774 -11.953 0.812 1.00 0.00 C ATOM 368 CG2 ILE A 89 -0.797 -10.507 1.356 1.00 0.00 C ATOM 369 CD1 ILE A 89 -2.057 -12.731 -0.268 1.00 0.00 C ATOM 0 H ILE A 89 -3.128 -13.231 3.112 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.633 -13.234 1.898 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.447 -10.903 2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.546 -12.585 1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.280 -11.100 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.289 -9.673 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.174 -10.128 2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.174 -11.043 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.776 -13.055 -1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.304 -12.096 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.574 -13.603 0.172 1.00 0.00 H new ATOM 381 N THR A 90 1.096 -12.175 3.349 1.00 0.00 N ATOM 382 CA THR A 90 2.136 -11.698 4.252 1.00 0.00 C ATOM 383 C THR A 90 2.948 -10.577 3.613 1.00 0.00 C ATOM 384 O THR A 90 2.861 -10.343 2.406 1.00 0.00 O ATOM 385 CB THR A 90 3.090 -12.836 4.662 1.00 0.00 C ATOM 386 OG1 THR A 90 4.097 -12.336 5.549 1.00 0.00 O ATOM 387 CG2 THR A 90 3.747 -13.459 3.440 1.00 0.00 C ATOM 0 H THR A 90 1.444 -12.557 2.470 1.00 0.00 H new ATOM 0 HA THR A 90 1.632 -11.318 5.140 1.00 0.00 H new ATOM 0 HB THR A 90 2.507 -13.603 5.171 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.698 -13.066 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.416 -14.260 3.755 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.979 -13.865 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.317 -12.699 2.906 1.00 0.00 H new ATOM 395 N THR A 91 3.737 -9.884 4.428 1.00 0.00 N ATOM 396 CA THR A 91 4.564 -8.787 3.942 1.00 0.00 C ATOM 397 C THR A 91 5.176 -9.118 2.586 1.00 0.00 C ATOM 398 O THR A 91 5.107 -8.320 1.652 1.00 0.00 O ATOM 399 CB THR A 91 5.693 -8.452 4.934 1.00 0.00 C ATOM 400 OG1 THR A 91 5.138 -8.061 6.195 1.00 0.00 O ATOM 401 CG2 THR A 91 6.575 -7.336 4.395 1.00 0.00 C ATOM 0 H THR A 91 3.821 -10.063 5.429 1.00 0.00 H new ATOM 0 HA THR A 91 3.911 -7.920 3.841 1.00 0.00 H new ATOM 0 HB THR A 91 6.305 -9.344 5.068 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.863 -7.851 6.820 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.365 -7.117 5.113 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.020 -7.648 3.450 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.973 -6.442 4.235 1.00 0.00 H new ATOM 409 N GLU A 92 5.774 -10.301 2.485 1.00 0.00 N ATOM 410 CA GLU A 92 6.399 -10.737 1.241 1.00 0.00 C ATOM 411 C GLU A 92 5.399 -10.701 0.089 1.00 0.00 C ATOM 412 O GLU A 92 5.622 -10.030 -0.919 1.00 0.00 O ATOM 413 CB GLU A 92 6.963 -12.151 1.396 1.00 0.00 C ATOM 414 CG GLU A 92 8.036 -12.264 2.467 1.00 0.00 C ATOM 415 CD GLU A 92 8.736 -13.609 2.451 1.00 0.00 C ATOM 416 OE1 GLU A 92 9.621 -13.806 1.593 1.00 0.00 O ATOM 417 OE2 GLU A 92 8.400 -14.463 3.297 1.00 0.00 O ATOM 0 H GLU A 92 5.839 -10.974 3.249 1.00 0.00 H new ATOM 0 HA GLU A 92 7.215 -10.051 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.148 -12.834 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.379 -12.474 0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.773 -11.473 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.585 -12.105 3.446 1.00 0.00 H new ATOM 424 N ASP A 93 4.298 -11.427 0.245 1.00 0.00 N ATOM 425 CA ASP A 93 3.263 -11.478 -0.781 1.00 0.00 C ATOM 426 C ASP A 93 3.052 -10.104 -1.408 1.00 0.00 C ATOM 427 O ASP A 93 3.168 -9.941 -2.623 1.00 0.00 O ATOM 428 CB ASP A 93 1.950 -11.989 -0.187 1.00 0.00 C ATOM 429 CG ASP A 93 1.823 -13.497 -0.273 1.00 0.00 C ATOM 430 OD1 ASP A 93 2.833 -14.193 -0.034 1.00 0.00 O ATOM 431 OD2 ASP A 93 0.714 -13.982 -0.579 1.00 0.00 O ATOM 0 H ASP A 93 4.099 -11.989 1.073 1.00 0.00 H new ATOM 0 HA ASP A 93 3.592 -12.166 -1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.882 -11.681 0.856 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.113 -11.527 -0.711 1.00 0.00 H new ATOM 436 N ILE A 94 2.740 -9.119 -0.572 1.00 0.00 N ATOM 437 CA ILE A 94 2.513 -7.759 -1.045 1.00 0.00 C ATOM 438 C ILE A 94 3.635 -7.305 -1.972 1.00 0.00 C ATOM 439 O ILE A 94 3.398 -6.967 -3.132 1.00 0.00 O ATOM 440 CB ILE A 94 2.397 -6.767 0.127 1.00 0.00 C ATOM 441 CG1 ILE A 94 1.232 -7.157 1.040 1.00 0.00 C ATOM 442 CG2 ILE A 94 2.217 -5.350 -0.394 1.00 0.00 C ATOM 443 CD1 ILE A 94 0.891 -6.101 2.068 1.00 0.00 C ATOM 0 H ILE A 94 2.639 -9.238 0.436 1.00 0.00 H new ATOM 0 HA ILE A 94 1.572 -7.769 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 94 3.318 -6.805 0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.352 -7.355 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.479 -8.086 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.137 -4.661 0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.076 -5.076 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.310 -5.296 -0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.057 -6.445 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.757 -5.920 2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.613 -5.177 1.562 1.00 0.00 H new ATOM 455 N LYS A 95 4.858 -7.300 -1.453 1.00 0.00 N ATOM 456 CA LYS A 95 6.019 -6.890 -2.234 1.00 0.00 C ATOM 457 C LYS A 95 6.021 -7.565 -3.602 1.00 0.00 C ATOM 458 O LYS A 95 6.372 -6.949 -4.608 1.00 0.00 O ATOM 459 CB LYS A 95 7.309 -7.230 -1.485 1.00 0.00 C ATOM 460 CG LYS A 95 7.813 -6.104 -0.599 1.00 0.00 C ATOM 461 CD LYS A 95 8.938 -6.570 0.310 1.00 0.00 C ATOM 462 CE LYS A 95 8.404 -7.083 1.639 1.00 0.00 C ATOM 463 NZ LYS A 95 9.423 -7.881 2.376 1.00 0.00 N ATOM 0 H LYS A 95 5.071 -7.575 -0.494 1.00 0.00 H new ATOM 0 HA LYS A 95 5.964 -5.811 -2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.141 -8.116 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.083 -7.486 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.164 -5.280 -1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.991 -5.720 0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.504 -7.359 -0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.629 -5.746 0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.089 -6.240 2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.520 -7.696 1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.946 -8.531 3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.992 -8.428 1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.044 -7.241 2.912 1.00 0.00 H new ATOM 477 N ALA A 96 5.624 -8.833 -3.632 1.00 0.00 N ATOM 478 CA ALA A 96 5.577 -9.590 -4.877 1.00 0.00 C ATOM 479 C ALA A 96 4.578 -8.978 -5.853 1.00 0.00 C ATOM 480 O ALA A 96 4.810 -8.958 -7.062 1.00 0.00 O ATOM 481 CB ALA A 96 5.223 -11.043 -4.598 1.00 0.00 C ATOM 0 H ALA A 96 5.330 -9.358 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 96 6.565 -9.550 -5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.191 -11.596 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.976 -11.482 -3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.248 -11.093 -4.114 1.00 0.00 H new ATOM 487 N ALA A 97 3.467 -8.480 -5.321 1.00 0.00 N ATOM 488 CA ALA A 97 2.434 -7.866 -6.146 1.00 0.00 C ATOM 489 C ALA A 97 2.925 -6.558 -6.758 1.00 0.00 C ATOM 490 O ALA A 97 2.848 -6.362 -7.971 1.00 0.00 O ATOM 491 CB ALA A 97 1.175 -7.627 -5.325 1.00 0.00 C ATOM 0 H ALA A 97 3.259 -8.490 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 97 2.199 -8.552 -6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.412 -7.168 -5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.805 -8.578 -4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.405 -6.964 -4.491 1.00 0.00 H new ATOM 497 N PHE A 98 3.427 -5.666 -5.911 1.00 0.00 N ATOM 498 CA PHE A 98 3.929 -4.376 -6.369 1.00 0.00 C ATOM 499 C PHE A 98 5.409 -4.464 -6.730 1.00 0.00 C ATOM 500 O PHE A 98 6.051 -3.454 -7.016 1.00 0.00 O ATOM 501 CB PHE A 98 3.718 -3.311 -5.291 1.00 0.00 C ATOM 502 CG PHE A 98 2.298 -3.214 -4.814 1.00 0.00 C ATOM 503 CD1 PHE A 98 1.768 -4.178 -3.971 1.00 0.00 C ATOM 504 CD2 PHE A 98 1.491 -2.159 -5.208 1.00 0.00 C ATOM 505 CE1 PHE A 98 0.461 -4.092 -3.530 1.00 0.00 C ATOM 506 CE2 PHE A 98 0.183 -2.067 -4.770 1.00 0.00 C ATOM 507 CZ PHE A 98 -0.333 -3.035 -3.931 1.00 0.00 C ATOM 0 H PHE A 98 3.497 -5.813 -4.904 1.00 0.00 H new ATOM 0 HA PHE A 98 3.372 -4.095 -7.263 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.364 -3.533 -4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.028 -2.342 -5.683 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.384 -5.007 -3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.888 -1.400 -5.865 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.061 -4.850 -2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.435 -1.239 -5.084 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.355 -2.966 -3.589 1.00 0.00 H new ATOM 517 N ALA A 99 5.944 -5.681 -6.712 1.00 0.00 N ATOM 518 CA ALA A 99 7.348 -5.903 -7.038 1.00 0.00 C ATOM 519 C ALA A 99 7.665 -5.426 -8.451 1.00 0.00 C ATOM 520 O ALA A 99 8.507 -4.553 -8.664 1.00 0.00 O ATOM 521 CB ALA A 99 7.699 -7.375 -6.885 1.00 0.00 C ATOM 0 H ALA A 99 5.427 -6.528 -6.475 1.00 0.00 H new ATOM 0 HA ALA A 99 7.953 -5.322 -6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.750 -7.526 -7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.519 -7.687 -5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.080 -7.969 -7.558 1.00 0.00 H new ATOM 527 N PRO A 100 6.977 -6.011 -9.443 1.00 0.00 N ATOM 528 CA PRO A 100 7.169 -5.662 -10.853 1.00 0.00 C ATOM 529 C PRO A 100 6.646 -4.267 -11.181 1.00 0.00 C ATOM 530 O PRO A 100 6.743 -3.809 -12.320 1.00 0.00 O ATOM 531 CB PRO A 100 6.357 -6.726 -11.596 1.00 0.00 C ATOM 532 CG PRO A 100 5.318 -7.160 -10.620 1.00 0.00 C ATOM 533 CD PRO A 100 5.958 -7.059 -9.263 1.00 0.00 C ATOM 0 HA PRO A 100 8.224 -5.642 -11.128 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.905 -6.319 -12.501 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.986 -7.562 -11.902 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.434 -6.525 -10.683 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.993 -8.180 -10.823 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.233 -6.787 -8.496 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.405 -8.005 -8.958 1.00 0.00 H new ATOM 541 N PHE A 101 6.091 -3.597 -10.177 1.00 0.00 N ATOM 542 CA PHE A 101 5.552 -2.255 -10.359 1.00 0.00 C ATOM 543 C PHE A 101 6.521 -1.203 -9.828 1.00 0.00 C ATOM 544 O PHE A 101 6.164 -0.035 -9.676 1.00 0.00 O ATOM 545 CB PHE A 101 4.201 -2.124 -9.652 1.00 0.00 C ATOM 546 CG PHE A 101 3.107 -2.928 -10.295 1.00 0.00 C ATOM 547 CD1 PHE A 101 2.927 -4.262 -9.969 1.00 0.00 C ATOM 548 CD2 PHE A 101 2.260 -2.348 -11.226 1.00 0.00 C ATOM 549 CE1 PHE A 101 1.921 -5.004 -10.561 1.00 0.00 C ATOM 550 CE2 PHE A 101 1.252 -3.085 -11.820 1.00 0.00 C ATOM 551 CZ PHE A 101 1.082 -4.414 -11.486 1.00 0.00 C ATOM 0 H PHE A 101 6.003 -3.962 -9.229 1.00 0.00 H new ATOM 0 HA PHE A 101 5.412 -2.089 -11.427 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.311 -2.439 -8.614 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.908 -1.074 -9.637 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.579 -4.728 -9.245 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.389 -1.309 -11.491 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.792 -6.044 -10.300 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.598 -2.622 -12.544 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.294 -4.991 -11.947 1.00 0.00 H new ATOM 561 N GLY A 102 7.749 -1.627 -9.546 1.00 0.00 N ATOM 562 CA GLY A 102 8.751 -0.710 -9.033 1.00 0.00 C ATOM 563 C GLY A 102 9.434 -1.236 -7.787 1.00 0.00 C ATOM 564 O GLY A 102 8.874 -2.061 -7.065 1.00 0.00 O ATOM 0 H GLY A 102 8.068 -2.589 -9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.499 -0.526 -9.804 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.282 0.248 -8.809 1.00 0.00 H new ATOM 568 N ARG A 103 10.649 -0.759 -7.534 1.00 0.00 N ATOM 569 CA ARG A 103 11.411 -1.189 -6.368 1.00 0.00 C ATOM 570 C ARG A 103 10.730 -0.739 -5.078 1.00 0.00 C ATOM 571 O ARG A 103 10.437 0.443 -4.899 1.00 0.00 O ATOM 572 CB ARG A 103 12.834 -0.630 -6.428 1.00 0.00 C ATOM 573 CG ARG A 103 13.807 -1.523 -7.179 1.00 0.00 C ATOM 574 CD ARG A 103 15.009 -0.739 -7.682 1.00 0.00 C ATOM 575 NE ARG A 103 15.680 -1.414 -8.789 1.00 0.00 N ATOM 576 CZ ARG A 103 16.832 -1.007 -9.309 1.00 0.00 C ATOM 577 NH1 ARG A 103 17.439 0.068 -8.824 1.00 0.00 N ATOM 578 NH2 ARG A 103 17.381 -1.675 -10.315 1.00 0.00 N ATOM 0 H ARG A 103 11.126 -0.075 -8.121 1.00 0.00 H new ATOM 0 HA ARG A 103 11.455 -2.278 -6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.811 0.350 -6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.200 -0.481 -5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.144 -2.327 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.297 -1.990 -8.022 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.687 0.251 -8.004 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.715 -0.595 -6.864 1.00 0.00 H new ATOM 0 HE ARG A 103 15.239 -2.244 -9.185 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.021 0.584 -8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.324 0.379 -9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.918 -2.503 -10.690 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.266 -1.361 -10.713 1.00 0.00 H new ATOM 592 N ILE A 104 10.482 -1.690 -4.184 1.00 0.00 N ATOM 593 CA ILE A 104 9.837 -1.392 -2.911 1.00 0.00 C ATOM 594 C ILE A 104 10.860 -1.303 -1.783 1.00 0.00 C ATOM 595 O ILE A 104 11.807 -2.088 -1.728 1.00 0.00 O ATOM 596 CB ILE A 104 8.784 -2.455 -2.551 1.00 0.00 C ATOM 597 CG1 ILE A 104 7.936 -2.801 -3.777 1.00 0.00 C ATOM 598 CG2 ILE A 104 7.903 -1.964 -1.412 1.00 0.00 C ATOM 599 CD1 ILE A 104 7.086 -4.039 -3.595 1.00 0.00 C ATOM 0 H ILE A 104 10.718 -2.673 -4.318 1.00 0.00 H new ATOM 0 HA ILE A 104 9.343 -0.427 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 104 9.299 -3.358 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.288 -1.956 -4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.593 -2.945 -4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.163 -2.727 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.519 -1.764 -0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.394 -1.049 -1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.512 -4.223 -4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.729 -4.895 -3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.403 -3.892 -2.758 1.00 0.00 H new ATOM 611 N SER A 105 10.662 -0.343 -0.886 1.00 0.00 N ATOM 612 CA SER A 105 11.568 -0.151 0.240 1.00 0.00 C ATOM 613 C SER A 105 10.880 -0.498 1.557 1.00 0.00 C ATOM 614 O SER A 105 11.299 -1.414 2.266 1.00 0.00 O ATOM 615 CB SER A 105 12.067 1.295 0.279 1.00 0.00 C ATOM 616 OG SER A 105 13.246 1.407 1.058 1.00 0.00 O ATOM 0 H SER A 105 9.882 0.314 -0.917 1.00 0.00 H new ATOM 0 HA SER A 105 12.419 -0.819 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.263 1.643 -0.735 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.291 1.940 0.693 1.00 0.00 H new ATOM 0 HG SER A 105 13.546 2.340 1.066 1.00 0.00 H new ATOM 622 N ASP A 106 9.823 0.239 1.877 1.00 0.00 N ATOM 623 CA ASP A 106 9.075 0.009 3.108 1.00 0.00 C ATOM 624 C ASP A 106 7.798 -0.778 2.829 1.00 0.00 C ATOM 625 O ASP A 106 6.813 -0.228 2.337 1.00 0.00 O ATOM 626 CB ASP A 106 8.731 1.341 3.777 1.00 0.00 C ATOM 627 CG ASP A 106 8.028 1.156 5.107 1.00 0.00 C ATOM 628 OD1 ASP A 106 7.260 0.180 5.241 1.00 0.00 O ATOM 629 OD2 ASP A 106 8.244 1.987 6.014 1.00 0.00 O ATOM 0 H ASP A 106 9.464 1.001 1.302 1.00 0.00 H new ATOM 0 HA ASP A 106 9.702 -0.576 3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.645 1.915 3.929 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.095 1.925 3.111 1.00 0.00 H new ATOM 634 N ALA A 107 7.824 -2.068 3.146 1.00 0.00 N ATOM 635 CA ALA A 107 6.668 -2.931 2.930 1.00 0.00 C ATOM 636 C ALA A 107 6.340 -3.733 4.185 1.00 0.00 C ATOM 637 O ALA A 107 7.197 -4.430 4.730 1.00 0.00 O ATOM 638 CB ALA A 107 6.919 -3.865 1.756 1.00 0.00 C ATOM 0 H ALA A 107 8.632 -2.539 3.553 1.00 0.00 H new ATOM 0 HA ALA A 107 5.811 -2.298 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.048 -4.503 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.098 -3.278 0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.791 -4.484 1.964 1.00 0.00 H new ATOM 644 N ARG A 108 5.096 -3.629 4.640 1.00 0.00 N ATOM 645 CA ARG A 108 4.656 -4.344 5.832 1.00 0.00 C ATOM 646 C ARG A 108 3.134 -4.445 5.875 1.00 0.00 C ATOM 647 O ARG A 108 2.430 -3.622 5.289 1.00 0.00 O ATOM 648 CB ARG A 108 5.166 -3.641 7.091 1.00 0.00 C ATOM 649 CG ARG A 108 4.410 -2.366 7.427 1.00 0.00 C ATOM 650 CD ARG A 108 4.518 -2.027 8.905 1.00 0.00 C ATOM 651 NE ARG A 108 4.222 -0.621 9.167 1.00 0.00 N ATOM 652 CZ ARG A 108 4.145 -0.101 10.387 1.00 0.00 C ATOM 653 NH1 ARG A 108 4.342 -0.867 11.451 1.00 0.00 N ATOM 654 NH2 ARG A 108 3.872 1.188 10.544 1.00 0.00 N ATOM 0 H ARG A 108 4.375 -3.056 4.201 1.00 0.00 H new ATOM 0 HA ARG A 108 5.069 -5.352 5.794 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.095 -4.328 7.934 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.222 -3.404 6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 108 4.804 -1.541 6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 108 3.361 -2.481 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 108 3.830 -2.654 9.472 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.523 -2.258 9.257 1.00 0.00 H new ATOM 0 HE ARG A 108 4.066 -0.005 8.370 1.00 0.00 H new ATOM 0 HH11 ARG A 108 4.553 -1.858 11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 108 4.282 -0.465 12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 108 3.721 1.780 9.728 1.00 0.00 H new ATOM 0 HH22 ARG A 108 3.813 1.586 11.481 1.00 0.00 H new ATOM 668 N VAL A 109 2.632 -5.459 6.572 1.00 0.00 N ATOM 669 CA VAL A 109 1.194 -5.668 6.692 1.00 0.00 C ATOM 670 C VAL A 109 0.694 -5.264 8.074 1.00 0.00 C ATOM 671 O VAL A 109 1.115 -5.823 9.086 1.00 0.00 O ATOM 672 CB VAL A 109 0.817 -7.138 6.430 1.00 0.00 C ATOM 673 CG1 VAL A 109 -0.689 -7.329 6.534 1.00 0.00 C ATOM 674 CG2 VAL A 109 1.326 -7.584 5.068 1.00 0.00 C ATOM 0 H VAL A 109 3.200 -6.149 7.063 1.00 0.00 H new ATOM 0 HA VAL A 109 0.718 -5.040 5.939 1.00 0.00 H new ATOM 0 HB VAL A 109 1.292 -7.758 7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.937 -8.374 6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.023 -7.051 7.534 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.187 -6.699 5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.051 -8.625 4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.882 -6.961 4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.411 -7.486 5.035 1.00 0.00 H new ATOM 684 N VAL A 110 -0.209 -4.288 8.109 1.00 0.00 N ATOM 685 CA VAL A 110 -0.769 -3.810 9.367 1.00 0.00 C ATOM 686 C VAL A 110 -1.336 -4.962 10.189 1.00 0.00 C ATOM 687 O VAL A 110 -2.064 -5.810 9.673 1.00 0.00 O ATOM 688 CB VAL A 110 -1.880 -2.770 9.127 1.00 0.00 C ATOM 689 CG1 VAL A 110 -2.429 -2.261 10.451 1.00 0.00 C ATOM 690 CG2 VAL A 110 -1.358 -1.620 8.279 1.00 0.00 C ATOM 0 H VAL A 110 -0.568 -3.814 7.280 1.00 0.00 H new ATOM 0 HA VAL A 110 0.046 -3.340 9.918 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.694 -3.251 8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.213 -1.527 10.262 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.842 -3.095 11.018 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.626 -1.795 11.023 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.156 -0.895 8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.526 -1.138 8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.017 -2.003 7.317 1.00 0.00 H new ATOM 700 N LYS A 111 -0.997 -4.986 11.474 1.00 0.00 N ATOM 701 CA LYS A 111 -1.473 -6.032 12.371 1.00 0.00 C ATOM 702 C LYS A 111 -1.974 -5.438 13.684 1.00 0.00 C ATOM 703 O LYS A 111 -1.481 -4.405 14.136 1.00 0.00 O ATOM 704 CB LYS A 111 -0.356 -7.041 12.650 1.00 0.00 C ATOM 705 CG LYS A 111 -0.213 -8.104 11.574 1.00 0.00 C ATOM 706 CD LYS A 111 1.139 -8.792 11.646 1.00 0.00 C ATOM 707 CE LYS A 111 1.271 -9.874 10.585 1.00 0.00 C ATOM 708 NZ LYS A 111 0.572 -11.128 10.982 1.00 0.00 N ATOM 0 H LYS A 111 -0.394 -4.293 11.917 1.00 0.00 H new ATOM 0 HA LYS A 111 -2.303 -6.543 11.883 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.589 -6.506 12.748 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.548 -7.528 13.606 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.005 -8.844 11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.338 -7.648 10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.931 -8.055 11.516 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.272 -9.232 12.634 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.859 -9.511 9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.326 -10.086 10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.685 -11.841 10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 0.982 -11.488 11.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -0.440 -10.932 11.123 1.00 0.00 H new ATOM 722 N ASP A 112 -2.955 -6.097 14.290 1.00 0.00 N ATOM 723 CA ASP A 112 -3.521 -5.635 15.552 1.00 0.00 C ATOM 724 C ASP A 112 -2.463 -5.626 16.651 1.00 0.00 C ATOM 725 O ASP A 112 -1.733 -6.600 16.830 1.00 0.00 O ATOM 726 CB ASP A 112 -4.696 -6.523 15.964 1.00 0.00 C ATOM 727 CG ASP A 112 -5.729 -5.774 16.783 1.00 0.00 C ATOM 728 OD1 ASP A 112 -6.600 -5.115 16.179 1.00 0.00 O ATOM 729 OD2 ASP A 112 -5.665 -5.846 18.028 1.00 0.00 O ATOM 0 H ASP A 112 -3.375 -6.953 13.928 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.879 -4.615 15.410 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.170 -6.930 15.071 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -4.323 -7.369 16.541 1.00 0.00 H new ATOM 734 N MET A 113 -2.387 -4.519 17.383 1.00 0.00 N ATOM 735 CA MET A 113 -1.419 -4.384 18.465 1.00 0.00 C ATOM 736 C MET A 113 -1.913 -5.084 19.727 1.00 0.00 C ATOM 737 O MET A 113 -1.247 -5.060 20.762 1.00 0.00 O ATOM 738 CB MET A 113 -1.152 -2.907 18.757 1.00 0.00 C ATOM 739 CG MET A 113 -2.290 -2.217 19.492 1.00 0.00 C ATOM 740 SD MET A 113 -1.920 -0.498 19.889 1.00 0.00 S ATOM 741 CE MET A 113 -0.553 -0.700 21.028 1.00 0.00 C ATOM 0 H MET A 113 -2.984 -3.703 17.246 1.00 0.00 H new ATOM 0 HA MET A 113 -0.490 -4.858 18.149 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.242 -2.821 19.351 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.969 -2.387 17.817 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.191 -2.258 18.880 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.505 -2.760 20.412 1.00 0.00 H new ATOM 0 HE1 MET A 113 -0.688 -0.035 21.881 1.00 0.00 H new ATOM 0 HE2 MET A 113 -0.518 -1.733 21.375 1.00 0.00 H new ATOM 0 HE3 MET A 113 0.381 -0.456 20.522 1.00 0.00 H new ATOM 751 N ALA A 114 -3.084 -5.704 19.635 1.00 0.00 N ATOM 752 CA ALA A 114 -3.666 -6.411 20.769 1.00 0.00 C ATOM 753 C ALA A 114 -3.392 -7.909 20.681 1.00 0.00 C ATOM 754 O ALA A 114 -3.303 -8.596 21.700 1.00 0.00 O ATOM 755 CB ALA A 114 -5.163 -6.150 20.843 1.00 0.00 C ATOM 0 H ALA A 114 -3.649 -5.731 18.786 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.198 -6.035 21.679 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.584 -6.684 21.695 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.341 -5.081 20.962 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.639 -6.497 19.926 1.00 0.00 H new ATOM 761 N THR A 115 -3.261 -8.411 19.457 1.00 0.00 N ATOM 762 CA THR A 115 -2.999 -9.828 19.237 1.00 0.00 C ATOM 763 C THR A 115 -1.842 -10.029 18.265 1.00 0.00 C ATOM 764 O THR A 115 -1.068 -10.977 18.393 1.00 0.00 O ATOM 765 CB THR A 115 -4.245 -10.551 18.690 1.00 0.00 C ATOM 766 OG1 THR A 115 -4.464 -10.184 17.324 1.00 0.00 O ATOM 767 CG2 THR A 115 -5.476 -10.207 19.516 1.00 0.00 C ATOM 0 H THR A 115 -3.332 -7.857 18.603 1.00 0.00 H new ATOM 0 HA THR A 115 -2.735 -10.255 20.205 1.00 0.00 H new ATOM 0 HB THR A 115 -4.072 -11.625 18.754 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.337 -10.518 17.031 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.343 -10.729 19.111 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.318 -10.514 20.550 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.650 -9.132 19.479 1.00 0.00 H new ATOM 775 N GLY A 116 -1.729 -9.129 17.292 1.00 0.00 N ATOM 776 CA GLY A 116 -0.662 -9.226 16.313 1.00 0.00 C ATOM 777 C GLY A 116 -1.109 -9.908 15.035 1.00 0.00 C ATOM 778 O GLY A 116 -0.282 -10.357 14.240 1.00 0.00 O ATOM 0 H GLY A 116 -2.357 -8.335 17.165 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.296 -8.226 16.079 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.173 -9.779 16.743 1.00 0.00 H new ATOM 782 N LYS A 117 -2.420 -9.988 14.836 1.00 0.00 N ATOM 783 CA LYS A 117 -2.976 -10.621 13.646 1.00 0.00 C ATOM 784 C LYS A 117 -3.060 -9.628 12.491 1.00 0.00 C ATOM 785 O LYS A 117 -3.152 -8.420 12.704 1.00 0.00 O ATOM 786 CB LYS A 117 -4.365 -11.188 13.947 1.00 0.00 C ATOM 787 CG LYS A 117 -4.339 -12.426 14.827 1.00 0.00 C ATOM 788 CD LYS A 117 -5.742 -12.866 15.212 1.00 0.00 C ATOM 789 CE LYS A 117 -5.713 -14.076 16.133 1.00 0.00 C ATOM 790 NZ LYS A 117 -5.734 -15.355 15.369 1.00 0.00 N ATOM 0 H LYS A 117 -3.118 -9.622 15.484 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.313 -11.436 13.354 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.964 -10.419 14.434 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.861 -11.431 13.007 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.834 -13.236 14.302 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.761 -12.221 15.728 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.260 -12.044 15.706 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -6.309 -13.105 14.313 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.818 -14.038 16.754 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.570 -14.041 16.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.713 -16.156 16.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.600 -15.403 14.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.903 -15.400 14.745 1.00 0.00 H new ATOM 804 N SER A 118 -3.029 -10.147 11.267 1.00 0.00 N ATOM 805 CA SER A 118 -3.099 -9.306 10.078 1.00 0.00 C ATOM 806 C SER A 118 -4.399 -8.506 10.055 1.00 0.00 C ATOM 807 O SER A 118 -5.482 -9.064 9.883 1.00 0.00 O ATOM 808 CB SER A 118 -2.991 -10.162 8.815 1.00 0.00 C ATOM 809 OG SER A 118 -1.640 -10.318 8.419 1.00 0.00 O ATOM 0 H SER A 118 -2.956 -11.146 11.073 1.00 0.00 H new ATOM 0 HA SER A 118 -2.263 -8.607 10.107 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.435 -11.141 8.996 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.559 -9.698 8.008 1.00 0.00 H new ATOM 0 HG SER A 118 -1.598 -10.870 7.611 1.00 0.00 H new ATOM 815 N LYS A 119 -4.281 -7.194 10.229 1.00 0.00 N ATOM 816 CA LYS A 119 -5.444 -6.315 10.227 1.00 0.00 C ATOM 817 C LYS A 119 -6.197 -6.411 8.903 1.00 0.00 C ATOM 818 O LYS A 119 -7.426 -6.465 8.880 1.00 0.00 O ATOM 819 CB LYS A 119 -5.015 -4.867 10.477 1.00 0.00 C ATOM 820 CG LYS A 119 -4.989 -4.486 11.947 1.00 0.00 C ATOM 821 CD LYS A 119 -5.279 -3.008 12.146 1.00 0.00 C ATOM 822 CE LYS A 119 -5.032 -2.580 13.584 1.00 0.00 C ATOM 823 NZ LYS A 119 -5.055 -1.099 13.734 1.00 0.00 N ATOM 0 H LYS A 119 -3.391 -6.716 10.373 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.110 -6.634 11.028 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.023 -4.712 10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.695 -4.199 9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.725 -5.078 12.490 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.013 -4.726 12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.651 -2.420 11.477 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.314 -2.800 11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.791 -3.022 14.230 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.067 -2.964 13.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.149 -0.776 14.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.204 -0.658 12.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.828 -0.827 14.374 1.00 0.00 H new ATOM 837 N GLY A 120 -5.451 -6.434 7.803 1.00 0.00 N ATOM 838 CA GLY A 120 -6.065 -6.525 6.492 1.00 0.00 C ATOM 839 C GLY A 120 -5.403 -5.615 5.476 1.00 0.00 C ATOM 840 O GLY A 120 -5.189 -6.006 4.329 1.00 0.00 O ATOM 0 H GLY A 120 -4.432 -6.391 7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -6.012 -7.555 6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.121 -6.269 6.571 1.00 0.00 H new ATOM 844 N TYR A 121 -5.079 -4.398 5.898 1.00 0.00 N ATOM 845 CA TYR A 121 -4.441 -3.428 5.016 1.00 0.00 C ATOM 846 C TYR A 121 -2.937 -3.373 5.264 1.00 0.00 C ATOM 847 O TYR A 121 -2.469 -3.630 6.373 1.00 0.00 O ATOM 848 CB TYR A 121 -5.054 -2.042 5.219 1.00 0.00 C ATOM 849 CG TYR A 121 -5.167 -1.636 6.671 1.00 0.00 C ATOM 850 CD1 TYR A 121 -6.166 -2.159 7.483 1.00 0.00 C ATOM 851 CD2 TYR A 121 -4.274 -0.731 7.231 1.00 0.00 C ATOM 852 CE1 TYR A 121 -6.273 -1.791 8.810 1.00 0.00 C ATOM 853 CE2 TYR A 121 -4.373 -0.358 8.558 1.00 0.00 C ATOM 854 CZ TYR A 121 -5.375 -0.890 9.343 1.00 0.00 C ATOM 855 OH TYR A 121 -5.477 -0.522 10.665 1.00 0.00 O ATOM 0 H TYR A 121 -5.248 -4.060 6.845 1.00 0.00 H new ATOM 0 HA TYR A 121 -4.610 -3.745 3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -4.449 -1.305 4.691 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -6.046 -2.023 4.767 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -6.871 -2.865 7.069 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.489 -0.312 6.619 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -7.056 -2.207 9.427 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -3.670 0.346 8.978 1.00 0.00 H new ATOM 0 HH TYR A 121 -4.768 0.119 10.882 1.00 0.00 H new ATOM 865 N GLY A 122 -2.183 -3.034 4.223 1.00 0.00 N ATOM 866 CA GLY A 122 -0.740 -2.949 4.347 1.00 0.00 C ATOM 867 C GLY A 122 -0.184 -1.653 3.791 1.00 0.00 C ATOM 868 O GLY A 122 -0.930 -0.822 3.271 1.00 0.00 O ATOM 0 H GLY A 122 -2.546 -2.817 3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.463 -3.038 5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.284 -3.790 3.825 1.00 0.00 H new ATOM 872 N PHE A 123 1.128 -1.477 3.902 1.00 0.00 N ATOM 873 CA PHE A 123 1.783 -0.271 3.409 1.00 0.00 C ATOM 874 C PHE A 123 2.930 -0.622 2.466 1.00 0.00 C ATOM 875 O PHE A 123 3.723 -1.522 2.743 1.00 0.00 O ATOM 876 CB PHE A 123 2.306 0.565 4.578 1.00 0.00 C ATOM 877 CG PHE A 123 1.221 1.250 5.359 1.00 0.00 C ATOM 878 CD1 PHE A 123 0.435 2.226 4.768 1.00 0.00 C ATOM 879 CD2 PHE A 123 0.987 0.917 6.683 1.00 0.00 C ATOM 880 CE1 PHE A 123 -0.565 2.858 5.483 1.00 0.00 C ATOM 881 CE2 PHE A 123 -0.012 1.545 7.404 1.00 0.00 C ATOM 882 CZ PHE A 123 -0.788 2.517 6.803 1.00 0.00 C ATOM 0 H PHE A 123 1.759 -2.155 4.329 1.00 0.00 H new ATOM 0 HA PHE A 123 1.047 0.312 2.856 1.00 0.00 H new ATOM 0 HB2 PHE A 123 2.874 -0.079 5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 123 2.997 1.316 4.196 1.00 0.00 H new ATOM 0 HD1 PHE A 123 0.606 2.496 3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 123 1.592 0.158 7.158 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.171 3.617 5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -0.185 1.276 8.435 1.00 0.00 H new ATOM 0 HZ PHE A 123 -1.568 3.010 7.364 1.00 0.00 H new ATOM 892 N VAL A 124 3.011 0.095 1.350 1.00 0.00 N ATOM 893 CA VAL A 124 4.061 -0.139 0.365 1.00 0.00 C ATOM 894 C VAL A 124 4.647 1.176 -0.136 1.00 0.00 C ATOM 895 O VAL A 124 3.930 2.027 -0.663 1.00 0.00 O ATOM 896 CB VAL A 124 3.533 -0.944 -0.837 1.00 0.00 C ATOM 897 CG1 VAL A 124 4.649 -1.204 -1.837 1.00 0.00 C ATOM 898 CG2 VAL A 124 2.910 -2.251 -0.370 1.00 0.00 C ATOM 0 H VAL A 124 2.362 0.843 1.105 1.00 0.00 H new ATOM 0 HA VAL A 124 4.841 -0.714 0.864 1.00 0.00 H new ATOM 0 HB VAL A 124 2.761 -0.357 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.257 -1.774 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 124 5.046 -0.254 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.445 -1.771 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.542 -2.807 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.660 -2.845 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.081 -2.038 0.305 1.00 0.00 H new ATOM 908 N SER A 125 5.956 1.336 0.031 1.00 0.00 N ATOM 909 CA SER A 125 6.639 2.550 -0.401 1.00 0.00 C ATOM 910 C SER A 125 7.447 2.295 -1.670 1.00 0.00 C ATOM 911 O SER A 125 7.929 1.186 -1.901 1.00 0.00 O ATOM 912 CB SER A 125 7.558 3.066 0.708 1.00 0.00 C ATOM 913 OG SER A 125 6.817 3.737 1.713 1.00 0.00 O ATOM 0 H SER A 125 6.565 0.640 0.462 1.00 0.00 H new ATOM 0 HA SER A 125 5.884 3.306 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.104 2.232 1.150 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.299 3.744 0.285 1.00 0.00 H new ATOM 0 HG SER A 125 6.793 4.697 1.516 1.00 0.00 H new ATOM 919 N PHE A 126 7.592 3.331 -2.490 1.00 0.00 N ATOM 920 CA PHE A 126 8.341 3.221 -3.736 1.00 0.00 C ATOM 921 C PHE A 126 9.344 4.363 -3.871 1.00 0.00 C ATOM 922 O PHE A 126 9.035 5.515 -3.565 1.00 0.00 O ATOM 923 CB PHE A 126 7.386 3.222 -4.932 1.00 0.00 C ATOM 924 CG PHE A 126 6.342 2.144 -4.866 1.00 0.00 C ATOM 925 CD1 PHE A 126 5.298 2.226 -3.958 1.00 0.00 C ATOM 926 CD2 PHE A 126 6.403 1.050 -5.713 1.00 0.00 C ATOM 927 CE1 PHE A 126 4.337 1.236 -3.895 1.00 0.00 C ATOM 928 CE2 PHE A 126 5.444 0.056 -5.655 1.00 0.00 C ATOM 929 CZ PHE A 126 4.409 0.149 -4.746 1.00 0.00 C ATOM 0 H PHE A 126 7.200 4.256 -2.314 1.00 0.00 H new ATOM 0 HA PHE A 126 8.890 2.279 -3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 126 6.892 4.192 -4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 126 7.964 3.102 -5.848 1.00 0.00 H new ATOM 0 HD1 PHE A 126 5.235 3.074 -3.292 1.00 0.00 H new ATOM 0 HD2 PHE A 126 7.209 0.972 -6.427 1.00 0.00 H new ATOM 0 HE1 PHE A 126 3.530 1.311 -3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.504 -0.793 -6.320 1.00 0.00 H new ATOM 0 HZ PHE A 126 3.658 -0.625 -4.700 1.00 0.00 H new ATOM 939 N PHE A 127 10.547 4.035 -4.330 1.00 0.00 N ATOM 940 CA PHE A 127 11.597 5.032 -4.504 1.00 0.00 C ATOM 941 C PHE A 127 11.150 6.129 -5.466 1.00 0.00 C ATOM 942 O PHE A 127 11.481 7.300 -5.284 1.00 0.00 O ATOM 943 CB PHE A 127 12.875 4.372 -5.024 1.00 0.00 C ATOM 944 CG PHE A 127 13.399 3.288 -4.125 1.00 0.00 C ATOM 945 CD1 PHE A 127 12.929 1.990 -4.236 1.00 0.00 C ATOM 946 CD2 PHE A 127 14.360 3.569 -3.167 1.00 0.00 C ATOM 947 CE1 PHE A 127 13.409 0.990 -3.411 1.00 0.00 C ATOM 948 CE2 PHE A 127 14.844 2.574 -2.339 1.00 0.00 C ATOM 949 CZ PHE A 127 14.367 1.283 -2.460 1.00 0.00 C ATOM 0 H PHE A 127 10.819 3.087 -4.588 1.00 0.00 H new ATOM 0 HA PHE A 127 11.799 5.484 -3.533 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.682 3.952 -6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.644 5.135 -5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 127 12.178 1.756 -4.976 1.00 0.00 H new ATOM 0 HD2 PHE A 127 14.735 4.577 -3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 127 13.036 -0.019 -3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 127 15.595 2.805 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.742 0.505 -1.812 1.00 0.00 H new ATOM 959 N ASN A 128 10.398 5.741 -6.490 1.00 0.00 N ATOM 960 CA ASN A 128 9.907 6.690 -7.482 1.00 0.00 C ATOM 961 C ASN A 128 8.382 6.731 -7.488 1.00 0.00 C ATOM 962 O ASN A 128 7.722 5.734 -7.192 1.00 0.00 O ATOM 963 CB ASN A 128 10.424 6.320 -8.873 1.00 0.00 C ATOM 964 CG ASN A 128 11.905 5.992 -8.871 1.00 0.00 C ATOM 965 OD1 ASN A 128 12.668 6.520 -8.062 1.00 0.00 O ATOM 966 ND2 ASN A 128 12.318 5.117 -9.780 1.00 0.00 N ATOM 0 H ASN A 128 10.115 4.775 -6.655 1.00 0.00 H new ATOM 0 HA ASN A 128 10.278 7.680 -7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.865 5.463 -9.249 1.00 0.00 H new ATOM 0 HB3 ASN A 128 10.239 7.147 -9.558 1.00 0.00 H new ATOM 0 HD21 ASN A 128 13.303 4.858 -9.827 1.00 0.00 H new ATOM 0 HD22 ASN A 128 11.650 4.704 -10.431 1.00 0.00 H new ATOM 973 N LYS A 129 7.828 7.890 -7.827 1.00 0.00 N ATOM 974 CA LYS A 129 6.380 8.061 -7.875 1.00 0.00 C ATOM 975 C LYS A 129 5.753 7.113 -8.891 1.00 0.00 C ATOM 976 O LYS A 129 4.966 6.237 -8.532 1.00 0.00 O ATOM 977 CB LYS A 129 6.029 9.509 -8.227 1.00 0.00 C ATOM 978 CG LYS A 129 4.535 9.765 -8.329 1.00 0.00 C ATOM 979 CD LYS A 129 3.917 10.009 -6.962 1.00 0.00 C ATOM 980 CE LYS A 129 2.538 10.638 -7.079 1.00 0.00 C ATOM 981 NZ LYS A 129 2.035 11.120 -5.763 1.00 0.00 N ATOM 0 H LYS A 129 8.360 8.725 -8.073 1.00 0.00 H new ATOM 0 HA LYS A 129 5.978 7.825 -6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.452 10.171 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.499 9.768 -9.176 1.00 0.00 H new ATOM 0 HG2 LYS A 129 4.356 10.628 -8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 129 4.050 8.911 -8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 129 3.843 9.066 -6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 129 4.567 10.661 -6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.577 11.472 -7.780 1.00 0.00 H new ATOM 0 HE3 LYS A 129 1.840 9.909 -7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 1.436 11.958 -5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.477 10.369 -5.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.840 11.369 -5.154 1.00 0.00 H new ATOM 995 N TRP A 130 6.107 7.293 -10.158 1.00 0.00 N ATOM 996 CA TRP A 130 5.579 6.451 -11.226 1.00 0.00 C ATOM 997 C TRP A 130 5.339 5.029 -10.730 1.00 0.00 C ATOM 998 O TRP A 130 4.221 4.518 -10.799 1.00 0.00 O ATOM 999 CB TRP A 130 6.542 6.434 -12.414 1.00 0.00 C ATOM 1000 CG TRP A 130 7.495 7.591 -12.422 1.00 0.00 C ATOM 1001 CD1 TRP A 130 8.854 7.534 -12.292 1.00 0.00 C ATOM 1002 CD2 TRP A 130 7.161 8.976 -12.565 1.00 0.00 C ATOM 1003 NE1 TRP A 130 9.384 8.800 -12.346 1.00 0.00 N ATOM 1004 CE2 TRP A 130 8.367 9.702 -12.514 1.00 0.00 C ATOM 1005 CE3 TRP A 130 5.962 9.672 -12.734 1.00 0.00 C ATOM 1006 CZ2 TRP A 130 8.405 11.090 -12.624 1.00 0.00 C ATOM 1007 CZ3 TRP A 130 6.001 11.049 -12.843 1.00 0.00 C ATOM 1008 CH2 TRP A 130 7.216 11.746 -12.788 1.00 0.00 C ATOM 0 H TRP A 130 6.757 8.014 -10.471 1.00 0.00 H new ATOM 0 HA TRP A 130 4.625 6.870 -11.547 1.00 0.00 H new ATOM 0 HB2 TRP A 130 7.111 5.504 -12.398 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.966 6.440 -13.340 1.00 0.00 H new ATOM 0 HD1 TRP A 130 9.427 6.627 -12.165 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.375 9.031 -12.273 1.00 0.00 H new ATOM 0 HE3 TRP A 130 5.021 9.143 -12.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.340 11.629 -12.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 5.080 11.598 -12.973 1.00 0.00 H new ATOM 0 HH2 TRP A 130 7.213 12.822 -12.877 1.00 0.00 H new ATOM 1019 N ASP A 131 6.394 4.395 -10.231 1.00 0.00 N ATOM 1020 CA ASP A 131 6.297 3.032 -9.722 1.00 0.00 C ATOM 1021 C ASP A 131 5.006 2.837 -8.934 1.00 0.00 C ATOM 1022 O ASP A 131 4.271 1.875 -9.156 1.00 0.00 O ATOM 1023 CB ASP A 131 7.503 2.708 -8.839 1.00 0.00 C ATOM 1024 CG ASP A 131 8.744 2.387 -9.648 1.00 0.00 C ATOM 1025 OD1 ASP A 131 8.637 2.299 -10.889 1.00 0.00 O ATOM 1026 OD2 ASP A 131 9.823 2.225 -9.040 1.00 0.00 O ATOM 0 H ASP A 131 7.327 4.803 -10.168 1.00 0.00 H new ATOM 0 HA ASP A 131 6.287 2.352 -10.574 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.709 3.555 -8.185 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.262 1.861 -8.197 1.00 0.00 H new ATOM 1031 N ALA A 132 4.737 3.755 -8.011 1.00 0.00 N ATOM 1032 CA ALA A 132 3.535 3.684 -7.191 1.00 0.00 C ATOM 1033 C ALA A 132 2.282 3.898 -8.033 1.00 0.00 C ATOM 1034 O ALA A 132 1.418 3.025 -8.108 1.00 0.00 O ATOM 1035 CB ALA A 132 3.600 4.710 -6.069 1.00 0.00 C ATOM 0 H ALA A 132 5.336 4.557 -7.813 1.00 0.00 H new ATOM 0 HA ALA A 132 3.482 2.687 -6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 132 2.695 4.646 -5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.470 4.510 -5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.681 5.710 -6.495 1.00 0.00 H new ATOM 1041 N GLU A 133 2.191 5.065 -8.664 1.00 0.00 N ATOM 1042 CA GLU A 133 1.041 5.392 -9.500 1.00 0.00 C ATOM 1043 C GLU A 133 0.614 4.188 -10.334 1.00 0.00 C ATOM 1044 O GLU A 133 -0.504 3.693 -10.201 1.00 0.00 O ATOM 1045 CB GLU A 133 1.370 6.571 -10.418 1.00 0.00 C ATOM 1046 CG GLU A 133 1.124 7.928 -9.779 1.00 0.00 C ATOM 1047 CD GLU A 133 -0.343 8.312 -9.771 1.00 0.00 C ATOM 1048 OE1 GLU A 133 -1.194 7.399 -9.806 1.00 0.00 O ATOM 1049 OE2 GLU A 133 -0.639 9.524 -9.731 1.00 0.00 O ATOM 0 H GLU A 133 2.898 5.798 -8.612 1.00 0.00 H new ATOM 0 HA GLU A 133 0.215 5.669 -8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.415 6.505 -10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.771 6.492 -11.325 1.00 0.00 H new ATOM 0 HG2 GLU A 133 1.498 7.917 -8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 133 1.691 8.687 -10.317 1.00 0.00 H new ATOM 1056 N ASN A 134 1.514 3.722 -11.195 1.00 0.00 N ATOM 1057 CA ASN A 134 1.230 2.577 -12.052 1.00 0.00 C ATOM 1058 C ASN A 134 0.427 1.520 -11.299 1.00 0.00 C ATOM 1059 O ASN A 134 -0.627 1.082 -11.760 1.00 0.00 O ATOM 1060 CB ASN A 134 2.534 1.968 -12.572 1.00 0.00 C ATOM 1061 CG ASN A 134 2.302 0.988 -13.706 1.00 0.00 C ATOM 1062 OD1 ASN A 134 1.189 0.868 -14.220 1.00 0.00 O ATOM 1063 ND2 ASN A 134 3.354 0.281 -14.102 1.00 0.00 N ATOM 0 H ASN A 134 2.445 4.120 -11.317 1.00 0.00 H new ATOM 0 HA ASN A 134 0.636 2.925 -12.897 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.193 2.766 -12.914 1.00 0.00 H new ATOM 0 HB3 ASN A 134 3.046 1.460 -11.755 1.00 0.00 H new ATOM 0 HD21 ASN A 134 3.258 -0.394 -14.861 1.00 0.00 H new ATOM 0 HD22 ASN A 134 4.258 0.413 -13.648 1.00 0.00 H new ATOM 1070 N ALA A 135 0.933 1.116 -10.139 1.00 0.00 N ATOM 1071 CA ALA A 135 0.261 0.113 -9.321 1.00 0.00 C ATOM 1072 C ALA A 135 -1.097 0.614 -8.843 1.00 0.00 C ATOM 1073 O ALA A 135 -2.132 0.029 -9.164 1.00 0.00 O ATOM 1074 CB ALA A 135 1.133 -0.269 -8.134 1.00 0.00 C ATOM 0 H ALA A 135 1.805 1.467 -9.744 1.00 0.00 H new ATOM 0 HA ALA A 135 0.096 -0.771 -9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.620 -1.018 -7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.078 -0.677 -8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.327 0.615 -7.526 1.00 0.00 H new ATOM 1080 N ILE A 136 -1.086 1.698 -8.075 1.00 0.00 N ATOM 1081 CA ILE A 136 -2.318 2.277 -7.554 1.00 0.00 C ATOM 1082 C ILE A 136 -3.446 2.179 -8.575 1.00 0.00 C ATOM 1083 O ILE A 136 -4.602 1.956 -8.216 1.00 0.00 O ATOM 1084 CB ILE A 136 -2.124 3.753 -7.160 1.00 0.00 C ATOM 1085 CG1 ILE A 136 -1.043 3.879 -6.085 1.00 0.00 C ATOM 1086 CG2 ILE A 136 -3.436 4.348 -6.672 1.00 0.00 C ATOM 1087 CD1 ILE A 136 -0.658 5.310 -5.780 1.00 0.00 C ATOM 0 H ILE A 136 -0.238 2.193 -7.800 1.00 0.00 H new ATOM 0 HA ILE A 136 -2.585 1.705 -6.666 1.00 0.00 H new ATOM 0 HB ILE A 136 -1.801 4.309 -8.040 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.395 3.403 -5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -0.156 3.333 -6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -3.282 5.392 -6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -4.180 4.288 -7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -3.787 3.792 -5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 136 0.113 5.323 -5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.275 5.784 -6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -1.533 5.855 -5.427 1.00 0.00 H new ATOM 1099 N GLN A 137 -3.102 2.346 -9.848 1.00 0.00 N ATOM 1100 CA GLN A 137 -4.087 2.275 -10.921 1.00 0.00 C ATOM 1101 C GLN A 137 -4.302 0.832 -11.367 1.00 0.00 C ATOM 1102 O GLN A 137 -5.413 0.308 -11.287 1.00 0.00 O ATOM 1103 CB GLN A 137 -3.639 3.127 -12.109 1.00 0.00 C ATOM 1104 CG GLN A 137 -3.115 4.498 -11.712 1.00 0.00 C ATOM 1105 CD GLN A 137 -2.259 5.131 -12.791 1.00 0.00 C ATOM 1106 OE1 GLN A 137 -1.283 4.381 -13.288 1.00 0.00 O flip ATOM 1107 NE2 GLN A 137 -2.472 6.281 -13.174 1.00 0.00 N flip ATOM 0 H GLN A 137 -2.149 2.531 -10.161 1.00 0.00 H new ATOM 0 HA GLN A 137 -5.032 2.663 -10.540 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.860 2.594 -12.655 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -4.479 3.252 -12.793 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -3.957 5.154 -11.490 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.531 4.408 -10.796 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -3.233 6.822 -12.764 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -1.887 6.693 -13.901 1.00 0.00 H new ATOM 1116 N GLN A 138 -3.233 0.197 -11.836 1.00 0.00 N ATOM 1117 CA GLN A 138 -3.307 -1.185 -12.296 1.00 0.00 C ATOM 1118 C GLN A 138 -3.647 -2.124 -11.144 1.00 0.00 C ATOM 1119 O GLN A 138 -4.658 -2.824 -11.179 1.00 0.00 O ATOM 1120 CB GLN A 138 -1.982 -1.602 -12.937 1.00 0.00 C ATOM 1121 CG GLN A 138 -1.534 -0.683 -14.062 1.00 0.00 C ATOM 1122 CD GLN A 138 -2.118 -1.076 -15.405 1.00 0.00 C ATOM 1123 OE1 GLN A 138 -3.264 -0.752 -15.715 1.00 0.00 O ATOM 1124 NE2 GLN A 138 -1.330 -1.779 -16.210 1.00 0.00 N ATOM 0 H GLN A 138 -2.306 0.617 -11.908 1.00 0.00 H new ATOM 0 HA GLN A 138 -4.100 -1.253 -13.041 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.209 -1.626 -12.169 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -2.079 -2.616 -13.324 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -1.827 0.341 -13.828 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -0.446 -0.696 -14.125 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -0.386 -2.026 -15.912 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -1.668 -2.072 -17.126 1.00 0.00 H new ATOM 1133 N MET A 139 -2.794 -2.135 -10.124 1.00 0.00 N ATOM 1134 CA MET A 139 -3.006 -2.988 -8.961 1.00 0.00 C ATOM 1135 C MET A 139 -4.393 -2.766 -8.368 1.00 0.00 C ATOM 1136 O MET A 139 -5.061 -3.713 -7.954 1.00 0.00 O ATOM 1137 CB MET A 139 -1.936 -2.716 -7.901 1.00 0.00 C ATOM 1138 CG MET A 139 -0.569 -3.274 -8.261 1.00 0.00 C ATOM 1139 SD MET A 139 -0.600 -5.052 -8.560 1.00 0.00 S ATOM 1140 CE MET A 139 -1.650 -5.602 -7.217 1.00 0.00 C ATOM 0 H MET A 139 -1.951 -1.563 -10.080 1.00 0.00 H new ATOM 0 HA MET A 139 -2.932 -4.026 -9.285 1.00 0.00 H new ATOM 0 HB2 MET A 139 -1.852 -1.640 -7.749 1.00 0.00 H new ATOM 0 HB3 MET A 139 -2.257 -3.147 -6.953 1.00 0.00 H new ATOM 0 HG2 MET A 139 -0.197 -2.766 -9.151 1.00 0.00 H new ATOM 0 HG3 MET A 139 0.131 -3.058 -7.454 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.413 -6.637 -6.970 1.00 0.00 H new ATOM 0 HE2 MET A 139 -1.482 -4.973 -6.343 1.00 0.00 H new ATOM 0 HE3 MET A 139 -2.695 -5.531 -7.520 1.00 0.00 H new ATOM 1150 N GLY A 140 -4.822 -1.508 -8.331 1.00 0.00 N ATOM 1151 CA GLY A 140 -6.128 -1.185 -7.787 1.00 0.00 C ATOM 1152 C GLY A 140 -7.245 -1.950 -8.468 1.00 0.00 C ATOM 1153 O GLY A 140 -7.482 -1.783 -9.664 1.00 0.00 O ATOM 0 H GLY A 140 -4.288 -0.707 -8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -6.138 -1.406 -6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -6.308 -0.115 -7.893 1.00 0.00 H new ATOM 1157 N GLY A 141 -7.934 -2.793 -7.705 1.00 0.00 N ATOM 1158 CA GLY A 141 -9.023 -3.575 -8.260 1.00 0.00 C ATOM 1159 C GLY A 141 -8.615 -5.003 -8.565 1.00 0.00 C ATOM 1160 O GLY A 141 -9.465 -5.856 -8.820 1.00 0.00 O ATOM 0 H GLY A 141 -7.757 -2.948 -6.712 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -9.857 -3.581 -7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.379 -3.099 -9.174 1.00 0.00 H new ATOM 1164 N GLN A 142 -7.312 -5.262 -8.540 1.00 0.00 N ATOM 1165 CA GLN A 142 -6.794 -6.596 -8.819 1.00 0.00 C ATOM 1166 C GLN A 142 -7.070 -7.542 -7.655 1.00 0.00 C ATOM 1167 O GLN A 142 -7.537 -7.119 -6.597 1.00 0.00 O ATOM 1168 CB GLN A 142 -5.290 -6.535 -9.095 1.00 0.00 C ATOM 1169 CG GLN A 142 -4.942 -5.887 -10.426 1.00 0.00 C ATOM 1170 CD GLN A 142 -5.509 -6.646 -11.610 1.00 0.00 C ATOM 1171 OE1 GLN A 142 -6.010 -7.761 -11.465 1.00 0.00 O ATOM 1172 NE2 GLN A 142 -5.432 -6.043 -12.791 1.00 0.00 N ATOM 0 H GLN A 142 -6.596 -4.566 -8.330 1.00 0.00 H new ATOM 0 HA GLN A 142 -7.304 -6.978 -9.703 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -4.804 -5.981 -8.292 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -4.884 -7.546 -9.075 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -5.321 -4.865 -10.439 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -3.858 -5.826 -10.524 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -5.008 -5.118 -12.865 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -5.797 -6.505 -13.624 1.00 0.00 H new ATOM 1181 N TRP A 143 -6.780 -8.822 -7.857 1.00 0.00 N ATOM 1182 CA TRP A 143 -6.999 -9.827 -6.824 1.00 0.00 C ATOM 1183 C TRP A 143 -5.672 -10.329 -6.264 1.00 0.00 C ATOM 1184 O TRP A 143 -4.796 -10.765 -7.012 1.00 0.00 O ATOM 1185 CB TRP A 143 -7.805 -10.999 -7.386 1.00 0.00 C ATOM 1186 CG TRP A 143 -9.263 -10.691 -7.553 1.00 0.00 C ATOM 1187 CD1 TRP A 143 -9.806 -9.663 -8.270 1.00 0.00 C ATOM 1188 CD2 TRP A 143 -10.362 -11.416 -6.991 1.00 0.00 C ATOM 1189 NE1 TRP A 143 -11.177 -9.705 -8.187 1.00 0.00 N ATOM 1190 CE2 TRP A 143 -11.543 -10.771 -7.409 1.00 0.00 C ATOM 1191 CE3 TRP A 143 -10.464 -12.547 -6.177 1.00 0.00 C ATOM 1192 CZ2 TRP A 143 -12.807 -11.222 -7.039 1.00 0.00 C ATOM 1193 CZ3 TRP A 143 -11.719 -12.992 -5.810 1.00 0.00 C ATOM 1194 CH2 TRP A 143 -12.877 -12.332 -6.241 1.00 0.00 C ATOM 0 H TRP A 143 -6.393 -9.188 -8.727 1.00 0.00 H new ATOM 0 HA TRP A 143 -7.562 -9.363 -6.014 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -7.389 -11.287 -8.351 1.00 0.00 H new ATOM 0 HB3 TRP A 143 -7.696 -11.857 -6.723 1.00 0.00 H new ATOM 0 HD1 TRP A 143 -9.241 -8.926 -8.821 1.00 0.00 H new ATOM 0 HE1 TRP A 143 -11.818 -9.049 -8.633 1.00 0.00 H new ATOM 0 HE3 TRP A 143 -9.577 -13.064 -5.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -13.701 -10.714 -7.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -11.809 -13.864 -5.180 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -13.844 -12.706 -5.938 1.00 0.00 H new ATOM 1205 N LEU A 144 -5.530 -10.266 -4.945 1.00 0.00 N ATOM 1206 CA LEU A 144 -4.309 -10.715 -4.284 1.00 0.00 C ATOM 1207 C LEU A 144 -4.617 -11.781 -3.237 1.00 0.00 C ATOM 1208 O LEU A 144 -5.432 -11.568 -2.341 1.00 0.00 O ATOM 1209 CB LEU A 144 -3.595 -9.532 -3.629 1.00 0.00 C ATOM 1210 CG LEU A 144 -2.292 -9.855 -2.899 1.00 0.00 C ATOM 1211 CD1 LEU A 144 -1.235 -10.337 -3.881 1.00 0.00 C ATOM 1212 CD2 LEU A 144 -1.794 -8.638 -2.132 1.00 0.00 C ATOM 0 H LEU A 144 -6.245 -9.908 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.656 -11.152 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -3.382 -8.790 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -4.280 -9.068 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 144 -2.487 -10.655 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -0.314 -10.562 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -1.590 -11.236 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -1.043 -9.559 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.865 -8.887 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.616 -7.818 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.544 -8.337 -1.400 1.00 0.00 H new ATOM 1224 N GLY A 145 -3.956 -12.929 -3.357 1.00 0.00 N ATOM 1225 CA GLY A 145 -4.171 -14.010 -2.413 1.00 0.00 C ATOM 1226 C GLY A 145 -5.511 -14.692 -2.608 1.00 0.00 C ATOM 1227 O GLY A 145 -5.780 -15.731 -2.006 1.00 0.00 O ATOM 0 H GLY A 145 -3.276 -13.129 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -3.374 -14.745 -2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -4.110 -13.619 -1.397 1.00 0.00 H new ATOM 1231 N GLY A 146 -6.355 -14.105 -3.452 1.00 0.00 N ATOM 1232 CA GLY A 146 -7.664 -14.676 -3.708 1.00 0.00 C ATOM 1233 C GLY A 146 -8.783 -13.672 -3.512 1.00 0.00 C ATOM 1234 O GLY A 146 -9.940 -13.954 -3.824 1.00 0.00 O ATOM 0 H GLY A 146 -6.155 -13.245 -3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -7.697 -15.058 -4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -7.822 -15.526 -3.044 1.00 0.00 H new ATOM 1238 N ARG A 147 -8.438 -12.498 -2.994 1.00 0.00 N ATOM 1239 CA ARG A 147 -9.423 -11.450 -2.755 1.00 0.00 C ATOM 1240 C ARG A 147 -8.953 -10.120 -3.336 1.00 0.00 C ATOM 1241 O ARG A 147 -7.759 -9.823 -3.344 1.00 0.00 O ATOM 1242 CB ARG A 147 -9.684 -11.299 -1.255 1.00 0.00 C ATOM 1243 CG ARG A 147 -10.800 -12.193 -0.738 1.00 0.00 C ATOM 1244 CD ARG A 147 -10.659 -12.453 0.753 1.00 0.00 C ATOM 1245 NE ARG A 147 -11.701 -13.346 1.253 1.00 0.00 N ATOM 1246 CZ ARG A 147 -12.970 -12.984 1.404 1.00 0.00 C ATOM 1247 NH1 ARG A 147 -13.352 -11.753 1.093 1.00 0.00 N ATOM 1248 NH2 ARG A 147 -13.859 -13.854 1.865 1.00 0.00 N ATOM 0 H ARG A 147 -7.484 -12.249 -2.732 1.00 0.00 H new ATOM 0 HA ARG A 147 -10.350 -11.737 -3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -8.767 -11.525 -0.711 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -9.934 -10.260 -1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -11.764 -11.725 -0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -10.788 -13.141 -1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -9.680 -12.889 0.954 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -10.703 -11.507 1.292 1.00 0.00 H new ATOM 0 HE ARG A 147 -11.440 -14.301 1.500 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -12.671 -11.082 0.737 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -14.327 -11.477 1.210 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -13.568 -14.802 2.104 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -14.833 -13.575 1.981 1.00 0.00 H new ATOM 1262 N GLN A 148 -9.901 -9.325 -3.823 1.00 0.00 N ATOM 1263 CA GLN A 148 -9.583 -8.027 -4.407 1.00 0.00 C ATOM 1264 C GLN A 148 -8.739 -7.191 -3.451 1.00 0.00 C ATOM 1265 O GLN A 148 -8.618 -7.516 -2.269 1.00 0.00 O ATOM 1266 CB GLN A 148 -10.867 -7.276 -4.763 1.00 0.00 C ATOM 1267 CG GLN A 148 -11.366 -7.558 -6.171 1.00 0.00 C ATOM 1268 CD GLN A 148 -12.259 -6.455 -6.705 1.00 0.00 C ATOM 1269 OE1 GLN A 148 -13.013 -5.833 -5.956 1.00 0.00 O ATOM 1270 NE2 GLN A 148 -12.179 -6.207 -8.007 1.00 0.00 N ATOM 0 H GLN A 148 -10.894 -9.557 -3.825 1.00 0.00 H new ATOM 0 HA GLN A 148 -9.006 -8.198 -5.316 1.00 0.00 H new ATOM 0 HB2 GLN A 148 -11.646 -7.546 -4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -10.694 -6.205 -4.656 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -10.512 -7.683 -6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 148 -11.915 -8.500 -6.176 1.00 0.00 H new ATOM 0 HE21 GLN A 148 -11.540 -6.747 -8.591 1.00 0.00 H new ATOM 0 HE22 GLN A 148 -12.756 -5.476 -8.423 1.00 0.00 H new ATOM 1279 N ILE A 149 -8.158 -6.114 -3.969 1.00 0.00 N ATOM 1280 CA ILE A 149 -7.326 -5.232 -3.160 1.00 0.00 C ATOM 1281 C ILE A 149 -7.618 -3.767 -3.469 1.00 0.00 C ATOM 1282 O ILE A 149 -7.927 -3.411 -4.606 1.00 0.00 O ATOM 1283 CB ILE A 149 -5.828 -5.505 -3.389 1.00 0.00 C ATOM 1284 CG1 ILE A 149 -5.433 -5.136 -4.820 1.00 0.00 C ATOM 1285 CG2 ILE A 149 -5.506 -6.964 -3.103 1.00 0.00 C ATOM 1286 CD1 ILE A 149 -3.941 -4.972 -5.011 1.00 0.00 C ATOM 0 H ILE A 149 -8.248 -5.831 -4.945 1.00 0.00 H new ATOM 0 HA ILE A 149 -7.568 -5.437 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 149 -5.251 -4.885 -2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -5.796 -5.908 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -5.931 -4.207 -5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -4.443 -7.141 -3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -5.755 -7.195 -2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -6.089 -7.602 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -3.734 -4.711 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -3.575 -4.180 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -3.438 -5.907 -4.765 1.00 0.00 H new ATOM 1298 N ARG A 150 -7.515 -2.922 -2.448 1.00 0.00 N ATOM 1299 CA ARG A 150 -7.767 -1.495 -2.610 1.00 0.00 C ATOM 1300 C ARG A 150 -6.466 -0.701 -2.537 1.00 0.00 C ATOM 1301 O ARG A 150 -5.808 -0.661 -1.496 1.00 0.00 O ATOM 1302 CB ARG A 150 -8.739 -1.002 -1.536 1.00 0.00 C ATOM 1303 CG ARG A 150 -8.231 -1.200 -0.118 1.00 0.00 C ATOM 1304 CD ARG A 150 -9.307 -0.882 0.909 1.00 0.00 C ATOM 1305 NE ARG A 150 -10.326 -1.926 0.975 1.00 0.00 N ATOM 1306 CZ ARG A 150 -11.330 -1.919 1.845 1.00 0.00 C ATOM 1307 NH1 ARG A 150 -11.448 -0.928 2.718 1.00 0.00 N ATOM 1308 NH2 ARG A 150 -12.218 -2.905 1.844 1.00 0.00 N ATOM 0 H ARG A 150 -7.259 -3.201 -1.501 1.00 0.00 H new ATOM 0 HA ARG A 150 -8.212 -1.340 -3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 150 -8.938 0.058 -1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 150 -9.688 -1.526 -1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 150 -7.898 -2.230 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 150 -7.364 -0.561 0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 150 -8.847 -0.761 1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 150 -9.778 0.069 0.658 1.00 0.00 H new ATOM 0 HE ARG A 150 -10.263 -2.703 0.317 1.00 0.00 H new ATOM 0 HH11 ARG A 150 -10.767 -0.169 2.723 1.00 0.00 H new ATOM 0 HH12 ARG A 150 -12.220 -0.925 3.385 1.00 0.00 H new ATOM 0 HH21 ARG A 150 -12.130 -3.670 1.175 1.00 0.00 H new ATOM 0 HH22 ARG A 150 -12.988 -2.898 2.513 1.00 0.00 H new ATOM 1322 N THR A 151 -6.100 -0.070 -3.648 1.00 0.00 N ATOM 1323 CA THR A 151 -4.877 0.720 -3.711 1.00 0.00 C ATOM 1324 C THR A 151 -5.189 2.209 -3.813 1.00 0.00 C ATOM 1325 O THR A 151 -5.881 2.645 -4.732 1.00 0.00 O ATOM 1326 CB THR A 151 -4.002 0.307 -4.909 1.00 0.00 C ATOM 1327 OG1 THR A 151 -4.712 0.527 -6.133 1.00 0.00 O ATOM 1328 CG2 THR A 151 -3.599 -1.156 -4.806 1.00 0.00 C ATOM 0 H THR A 151 -6.634 -0.091 -4.517 1.00 0.00 H new ATOM 0 HA THR A 151 -4.329 0.529 -2.788 1.00 0.00 H new ATOM 0 HB THR A 151 -3.099 0.917 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 151 -4.524 1.431 -6.462 1.00 0.00 H new ATOM 0 HG21 THR A 151 -2.982 -1.425 -5.663 1.00 0.00 H new ATOM 0 HG22 THR A 151 -3.033 -1.314 -3.888 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.493 -1.780 -4.793 1.00 0.00 H new ATOM 1336 N ASN A 152 -4.675 2.983 -2.864 1.00 0.00 N ATOM 1337 CA ASN A 152 -4.900 4.424 -2.848 1.00 0.00 C ATOM 1338 C ASN A 152 -3.727 5.151 -2.197 1.00 0.00 C ATOM 1339 O ASN A 152 -2.861 4.527 -1.582 1.00 0.00 O ATOM 1340 CB ASN A 152 -6.194 4.751 -2.101 1.00 0.00 C ATOM 1341 CG ASN A 152 -6.765 6.100 -2.497 1.00 0.00 C ATOM 1342 OD1 ASN A 152 -6.244 6.769 -3.389 1.00 0.00 O ATOM 1343 ND2 ASN A 152 -7.841 6.505 -1.832 1.00 0.00 N ATOM 0 H ASN A 152 -4.100 2.637 -2.096 1.00 0.00 H new ATOM 0 HA ASN A 152 -4.988 4.764 -3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -6.932 3.974 -2.301 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -6.003 4.741 -1.028 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -8.269 7.404 -2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -8.239 5.917 -1.100 1.00 0.00 H new ATOM 1350 N TRP A 153 -3.705 6.471 -2.335 1.00 0.00 N ATOM 1351 CA TRP A 153 -2.639 7.283 -1.760 1.00 0.00 C ATOM 1352 C TRP A 153 -2.732 7.305 -0.238 1.00 0.00 C ATOM 1353 O TRP A 153 -3.758 7.686 0.324 1.00 0.00 O ATOM 1354 CB TRP A 153 -2.703 8.709 -2.308 1.00 0.00 C ATOM 1355 CG TRP A 153 -2.237 8.822 -3.728 1.00 0.00 C ATOM 1356 CD1 TRP A 153 -2.963 9.264 -4.796 1.00 0.00 C ATOM 1357 CD2 TRP A 153 -0.940 8.486 -4.233 1.00 0.00 C ATOM 1358 NE1 TRP A 153 -2.196 9.222 -5.936 1.00 0.00 N ATOM 1359 CE2 TRP A 153 -0.951 8.750 -5.616 1.00 0.00 C ATOM 1360 CE3 TRP A 153 0.230 7.990 -3.651 1.00 0.00 C ATOM 1361 CZ2 TRP A 153 0.162 8.532 -6.424 1.00 0.00 C ATOM 1362 CZ3 TRP A 153 1.334 7.774 -4.454 1.00 0.00 C ATOM 1363 CH2 TRP A 153 1.294 8.046 -5.828 1.00 0.00 C ATOM 0 H TRP A 153 -4.414 7.003 -2.840 1.00 0.00 H new ATOM 0 HA TRP A 153 -1.685 6.837 -2.041 1.00 0.00 H new ATOM 0 HB2 TRP A 153 -3.729 9.071 -2.240 1.00 0.00 H new ATOM 0 HB3 TRP A 153 -2.094 9.359 -1.680 1.00 0.00 H new ATOM 0 HD1 TRP A 153 -3.989 9.598 -4.752 1.00 0.00 H new ATOM 0 HE1 TRP A 153 -2.504 9.498 -6.868 1.00 0.00 H new ATOM 0 HE3 TRP A 153 0.271 7.779 -2.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 153 0.133 8.739 -7.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 153 2.243 7.389 -4.015 1.00 0.00 H new ATOM 0 HH2 TRP A 153 2.174 7.869 -6.429 1.00 0.00 H new