USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 790 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 94 GLN : amide:sc= -6.11! C(o=-6.1!,f=-7.8!) USER MOD Set 1.2: A 97 LYS NZ :NH3+ 167:sc= 0 (180deg=0) USER MOD Set 2.1: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 87 GLN : amide:sc= -0.845 K(o=-0.84,f=-2.2!) USER MOD Set 3.1: A 71 THR OG1 : rot -120:sc= 0 USER MOD Set 3.2: A 110 MET CE :methyl 179:sc= -0.0334 (180deg=-0.0297) USER MOD Set 4.1: A 16 THR OG1 : rot 180:sc= -0.681 USER MOD Set 4.2: A 39 GLN : amide:sc= -1.56 K(o=-2.2,f=-6!) USER MOD Single : A 15 MET CE :methyl -159:sc= -0.179 (180deg=-1.24) USER MOD Single : A 18 GLN : amide:sc= -0.798 K(o=-0.8,f=-1.5) USER MOD Single : A 21 CYS SG : rot 36:sc= -1.11 USER MOD Single : A 26 THR OG1 : rot -130:sc=0.000651 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -137:sc= -2.51! (180deg=-4.9!) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0857 X(o=-0.086,f=-0.52) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.0584 X(o=-0.058,f=-0.54) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -1.09 F(o=-2.6!,f=-1.1) USER MOD Single : A 78 SER OG : rot -41:sc= -0.0163 USER MOD Single : A 82 THR OG1 : rot -19:sc= 0.564! USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0265 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 14 18.659 -19.707 6.065 1.00 0.00 N ATOM 172 CA ILE A 14 17.349 -19.081 5.931 1.00 0.00 C ATOM 173 C ILE A 14 17.474 -17.640 5.448 1.00 0.00 C ATOM 174 O ILE A 14 18.125 -16.816 6.088 1.00 0.00 O ATOM 175 CB ILE A 14 16.579 -19.099 7.264 1.00 0.00 C ATOM 176 CG1 ILE A 14 16.350 -20.540 7.727 1.00 0.00 C ATOM 177 CG2 ILE A 14 15.252 -18.367 7.120 1.00 0.00 C ATOM 178 CD1 ILE A 14 15.865 -20.645 9.157 1.00 0.00 C ATOM 0 HA ILE A 14 16.796 -19.661 5.193 1.00 0.00 H new ATOM 0 HB ILE A 14 17.176 -18.585 8.018 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.621 -21.013 7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 14 17.281 -21.098 7.625 1.00 0.00 H new ATOM 0 HG21 ILE A 14 14.720 -18.389 8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.437 -17.332 6.831 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.648 -18.855 6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.724 -21.694 9.417 1.00 0.00 H new ATOM 0 HD12 ILE A 14 16.603 -20.201 9.825 1.00 0.00 H new ATOM 0 HD13 ILE A 14 14.918 -20.115 9.260 1.00 0.00 H new ATOM 190 N MET A 15 16.844 -17.345 4.317 1.00 0.00 N ATOM 191 CA MET A 15 16.882 -16.002 3.750 1.00 0.00 C ATOM 192 C MET A 15 15.601 -15.239 4.073 1.00 0.00 C ATOM 193 O MET A 15 14.496 -15.734 3.847 1.00 0.00 O ATOM 194 CB MET A 15 17.080 -16.071 2.234 1.00 0.00 C ATOM 195 CG MET A 15 17.910 -17.261 1.783 1.00 0.00 C ATOM 196 SD MET A 15 17.986 -17.414 -0.013 1.00 0.00 S ATOM 197 CE MET A 15 16.278 -17.797 -0.393 1.00 0.00 C ATOM 0 H MET A 15 16.301 -18.017 3.775 1.00 0.00 H new ATOM 0 HA MET A 15 17.723 -15.470 4.195 1.00 0.00 H new ATOM 0 HB2 MET A 15 16.104 -16.115 1.750 1.00 0.00 H new ATOM 0 HB3 MET A 15 17.562 -15.153 1.897 1.00 0.00 H new ATOM 0 HG2 MET A 15 18.921 -17.165 2.179 1.00 0.00 H new ATOM 0 HG3 MET A 15 17.488 -18.174 2.204 1.00 0.00 H new ATOM 0 HE1 MET A 15 16.221 -18.278 -1.370 1.00 0.00 H new ATOM 0 HE2 MET A 15 15.878 -18.470 0.366 1.00 0.00 H new ATOM 0 HE3 MET A 15 15.693 -16.877 -0.407 1.00 0.00 H new ATOM 207 N THR A 16 15.757 -14.030 4.603 1.00 0.00 N ATOM 208 CA THR A 16 14.613 -13.198 4.959 1.00 0.00 C ATOM 209 C THR A 16 14.195 -12.310 3.794 1.00 0.00 C ATOM 210 O THR A 16 14.873 -11.334 3.468 1.00 0.00 O ATOM 211 CB THR A 16 14.922 -12.312 6.180 1.00 0.00 C ATOM 212 OG1 THR A 16 15.204 -13.130 7.321 1.00 0.00 O ATOM 213 CG2 THR A 16 13.753 -11.389 6.488 1.00 0.00 C ATOM 0 H THR A 16 16.664 -13.605 4.795 1.00 0.00 H new ATOM 0 HA THR A 16 13.795 -13.875 5.207 1.00 0.00 H new ATOM 0 HB THR A 16 15.795 -11.702 5.947 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.401 -12.559 8.093 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.994 -10.773 7.354 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.560 -10.747 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.866 -11.985 6.702 1.00 0.00 H new ATOM 221 N LEU A 17 13.075 -12.653 3.167 1.00 0.00 N ATOM 222 CA LEU A 17 12.565 -11.885 2.036 1.00 0.00 C ATOM 223 C LEU A 17 11.223 -11.243 2.374 1.00 0.00 C ATOM 224 O LEU A 17 10.251 -11.937 2.673 1.00 0.00 O ATOM 225 CB LEU A 17 12.418 -12.785 0.808 1.00 0.00 C ATOM 226 CG LEU A 17 13.676 -12.973 -0.042 1.00 0.00 C ATOM 227 CD1 LEU A 17 14.714 -13.788 0.715 1.00 0.00 C ATOM 228 CD2 LEU A 17 13.331 -13.640 -1.365 1.00 0.00 C ATOM 0 H LEU A 17 12.503 -13.458 3.422 1.00 0.00 H new ATOM 0 HA LEU A 17 13.280 -11.093 1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.078 -13.766 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.633 -12.374 0.173 1.00 0.00 H new ATOM 0 HG LEU A 17 14.099 -11.991 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.602 -13.912 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.983 -13.270 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.301 -14.767 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.238 -13.766 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.884 -14.616 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.624 -13.017 -1.913 1.00 0.00 H new ATOM 240 N GLN A 18 11.178 -9.916 2.323 1.00 0.00 N ATOM 241 CA GLN A 18 9.954 -9.182 2.622 1.00 0.00 C ATOM 242 C GLN A 18 9.355 -8.583 1.354 1.00 0.00 C ATOM 243 O GLN A 18 9.760 -7.516 0.890 1.00 0.00 O ATOM 244 CB GLN A 18 10.234 -8.076 3.640 1.00 0.00 C ATOM 245 CG GLN A 18 11.565 -7.374 3.425 1.00 0.00 C ATOM 246 CD GLN A 18 12.723 -8.105 4.076 1.00 0.00 C ATOM 247 OE1 GLN A 18 13.614 -8.611 3.395 1.00 0.00 O ATOM 248 NE2 GLN A 18 12.715 -8.162 5.402 1.00 0.00 N ATOM 0 H GLN A 18 11.974 -9.327 2.078 1.00 0.00 H new ATOM 0 HA GLN A 18 9.234 -9.882 3.046 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.432 -7.339 3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.216 -8.503 4.643 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.754 -7.282 2.355 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.507 -6.362 3.827 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.955 -7.728 5.927 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.468 -8.640 5.896 1.00 0.00 H new ATOM 257 N PRO A 19 8.366 -9.282 0.778 1.00 0.00 N ATOM 258 CA PRO A 19 7.690 -8.838 -0.445 1.00 0.00 C ATOM 259 C PRO A 19 6.817 -7.611 -0.210 1.00 0.00 C ATOM 260 O PRO A 19 5.798 -7.684 0.479 1.00 0.00 O ATOM 261 CB PRO A 19 6.827 -10.042 -0.830 1.00 0.00 C ATOM 262 CG PRO A 19 6.592 -10.765 0.451 1.00 0.00 C ATOM 263 CD PRO A 19 7.832 -10.561 1.276 1.00 0.00 C ATOM 0 HA PRO A 19 8.399 -8.540 -1.218 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.888 -9.727 -1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.335 -10.677 -1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.713 -10.374 0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.412 -11.825 0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.603 -10.514 2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.544 -11.375 1.139 1.00 0.00 H new ATOM 271 N ARG A 20 7.220 -6.483 -0.788 1.00 0.00 N ATOM 272 CA ARG A 20 6.474 -5.240 -0.641 1.00 0.00 C ATOM 273 C ARG A 20 5.892 -4.794 -1.978 1.00 0.00 C ATOM 274 O ARG A 20 6.425 -5.123 -3.039 1.00 0.00 O ATOM 275 CB ARG A 20 7.377 -4.143 -0.073 1.00 0.00 C ATOM 276 CG ARG A 20 6.938 -2.738 -0.450 1.00 0.00 C ATOM 277 CD ARG A 20 7.909 -1.691 0.073 1.00 0.00 C ATOM 278 NE ARG A 20 7.876 -1.594 1.529 1.00 0.00 N ATOM 279 CZ ARG A 20 8.585 -0.710 2.224 1.00 0.00 C ATOM 280 NH1 ARG A 20 9.380 0.147 1.597 1.00 0.00 N ATOM 281 NH2 ARG A 20 8.501 -0.683 3.548 1.00 0.00 N ATOM 0 H ARG A 20 8.059 -6.406 -1.362 1.00 0.00 H new ATOM 0 HA ARG A 20 5.651 -5.419 0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.399 -4.229 1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.396 -4.303 -0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.864 -2.658 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.943 -2.546 -0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.920 -1.940 -0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.665 -0.721 -0.361 1.00 0.00 H new ATOM 0 HE ARG A 20 7.276 -2.240 2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.448 0.129 0.579 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.923 0.824 2.132 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.892 -1.341 4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.046 -0.004 4.080 1.00 0.00 H new ATOM 295 N CYS A 21 4.798 -4.043 -1.921 1.00 0.00 N ATOM 296 CA CYS A 21 4.143 -3.552 -3.129 1.00 0.00 C ATOM 297 C CYS A 21 3.686 -2.108 -2.950 1.00 0.00 C ATOM 298 O CYS A 21 3.049 -1.767 -1.955 1.00 0.00 O ATOM 299 CB CYS A 21 2.947 -4.437 -3.481 1.00 0.00 C ATOM 300 SG CYS A 21 1.716 -4.574 -2.163 1.00 0.00 S ATOM 0 H CYS A 21 4.346 -3.761 -1.052 1.00 0.00 H new ATOM 0 HA CYS A 21 4.865 -3.588 -3.945 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.465 -4.039 -4.374 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.308 -5.435 -3.731 1.00 0.00 H new ATOM 0 HG CYS A 21 1.626 -3.440 -1.534 1.00 0.00 H new ATOM 306 N GLU A 22 4.019 -1.263 -3.922 1.00 0.00 N ATOM 307 CA GLU A 22 3.645 0.145 -3.870 1.00 0.00 C ATOM 308 C GLU A 22 2.901 0.557 -5.138 1.00 0.00 C ATOM 309 O GLU A 22 2.982 -0.117 -6.164 1.00 0.00 O ATOM 310 CB GLU A 22 4.888 1.019 -3.688 1.00 0.00 C ATOM 311 CG GLU A 22 5.825 0.526 -2.599 1.00 0.00 C ATOM 312 CD GLU A 22 6.917 1.525 -2.273 1.00 0.00 C ATOM 313 OE1 GLU A 22 6.833 2.674 -2.756 1.00 0.00 O ATOM 314 OE2 GLU A 22 7.856 1.159 -1.536 1.00 0.00 O ATOM 0 H GLU A 22 4.546 -1.529 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 22 2.981 0.288 -3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.432 1.063 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.575 2.036 -3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.249 0.316 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.279 -0.413 -2.914 1.00 0.00 H new ATOM 321 N ASP A 23 2.177 1.668 -5.056 1.00 0.00 N ATOM 322 CA ASP A 23 1.418 2.171 -6.195 1.00 0.00 C ATOM 323 C ASP A 23 0.628 1.049 -6.860 1.00 0.00 C ATOM 324 O ASP A 23 0.646 0.902 -8.082 1.00 0.00 O ATOM 325 CB ASP A 23 2.357 2.822 -7.213 1.00 0.00 C ATOM 326 CG ASP A 23 3.546 1.944 -7.548 1.00 0.00 C ATOM 327 OD1 ASP A 23 3.372 0.974 -8.315 1.00 0.00 O ATOM 328 OD2 ASP A 23 4.654 2.228 -7.043 1.00 0.00 O ATOM 0 H ASP A 23 2.100 2.237 -4.213 1.00 0.00 H new ATOM 0 HA ASP A 23 0.715 2.919 -5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.803 3.042 -8.126 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.712 3.774 -6.819 1.00 0.00 H new ATOM 333 N VAL A 24 -0.065 0.258 -6.047 1.00 0.00 N ATOM 334 CA VAL A 24 -0.863 -0.852 -6.556 1.00 0.00 C ATOM 335 C VAL A 24 -2.339 -0.664 -6.224 1.00 0.00 C ATOM 336 O VAL A 24 -2.718 -0.594 -5.056 1.00 0.00 O ATOM 337 CB VAL A 24 -0.385 -2.197 -5.979 1.00 0.00 C ATOM 338 CG1 VAL A 24 0.925 -2.620 -6.624 1.00 0.00 C ATOM 339 CG2 VAL A 24 -0.239 -2.107 -4.468 1.00 0.00 C ATOM 0 H VAL A 24 -0.090 0.365 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.736 -0.864 -7.638 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.135 -2.955 -6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.247 -3.573 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.783 -2.728 -7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.686 -1.863 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.100 -3.067 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.490 -1.336 -4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.202 -1.854 -4.024 1.00 0.00 H new ATOM 349 N GLU A 25 -3.168 -0.585 -7.261 1.00 0.00 N ATOM 350 CA GLU A 25 -4.603 -0.406 -7.079 1.00 0.00 C ATOM 351 C GLU A 25 -5.278 -1.732 -6.737 1.00 0.00 C ATOM 352 O GLU A 25 -4.798 -2.802 -7.113 1.00 0.00 O ATOM 353 CB GLU A 25 -5.229 0.188 -8.342 1.00 0.00 C ATOM 354 CG GLU A 25 -4.417 1.317 -8.952 1.00 0.00 C ATOM 355 CD GLU A 25 -4.951 2.686 -8.578 1.00 0.00 C ATOM 356 OE1 GLU A 25 -4.846 3.061 -7.391 1.00 0.00 O ATOM 357 OE2 GLU A 25 -5.475 3.384 -9.473 1.00 0.00 O ATOM 0 H GLU A 25 -2.870 -0.642 -8.235 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.755 0.283 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.350 -0.602 -9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.226 0.557 -8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.381 1.233 -8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.417 1.215 -10.037 1.00 0.00 H new ATOM 364 N THR A 26 -6.395 -1.653 -6.020 1.00 0.00 N ATOM 365 CA THR A 26 -7.136 -2.845 -5.626 1.00 0.00 C ATOM 366 C THR A 26 -8.343 -3.065 -6.529 1.00 0.00 C ATOM 367 O THR A 26 -8.631 -2.251 -7.407 1.00 0.00 O ATOM 368 CB THR A 26 -7.613 -2.751 -4.164 1.00 0.00 C ATOM 369 OG1 THR A 26 -8.813 -1.973 -4.089 1.00 0.00 O ATOM 370 CG2 THR A 26 -6.541 -2.125 -3.285 1.00 0.00 C ATOM 0 H THR A 26 -6.806 -0.776 -5.700 1.00 0.00 H new ATOM 0 HA THR A 26 -6.454 -3.689 -5.725 1.00 0.00 H new ATOM 0 HB THR A 26 -7.812 -3.760 -3.804 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.716 -1.289 -3.394 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.900 -2.069 -2.257 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.639 -2.735 -3.321 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.315 -1.122 -3.646 1.00 0.00 H new ATOM 378 N ALA A 27 -9.046 -4.171 -6.309 1.00 0.00 N ATOM 379 CA ALA A 27 -10.225 -4.497 -7.103 1.00 0.00 C ATOM 380 C ALA A 27 -11.009 -3.240 -7.464 1.00 0.00 C ATOM 381 O ALA A 27 -11.513 -3.112 -8.579 1.00 0.00 O ATOM 382 CB ALA A 27 -11.113 -5.478 -6.350 1.00 0.00 C ATOM 0 H ALA A 27 -8.820 -4.856 -5.588 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.891 -4.963 -8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.989 -5.713 -6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.555 -6.393 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.431 -5.032 -5.408 1.00 0.00 H new ATOM 388 N GLU A 28 -11.108 -2.316 -6.514 1.00 0.00 N ATOM 389 CA GLU A 28 -11.832 -1.070 -6.733 1.00 0.00 C ATOM 390 C GLU A 28 -11.013 -0.108 -7.588 1.00 0.00 C ATOM 391 O GLU A 28 -11.543 0.551 -8.481 1.00 0.00 O ATOM 392 CB GLU A 28 -12.177 -0.413 -5.395 1.00 0.00 C ATOM 393 CG GLU A 28 -12.737 -1.382 -4.367 1.00 0.00 C ATOM 394 CD GLU A 28 -14.243 -1.527 -4.460 1.00 0.00 C ATOM 395 OE1 GLU A 28 -14.915 -0.533 -4.807 1.00 0.00 O ATOM 396 OE2 GLU A 28 -14.749 -2.636 -4.185 1.00 0.00 O ATOM 0 H GLU A 28 -10.696 -2.407 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.755 -1.304 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.281 0.057 -4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.903 0.381 -5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.273 -2.359 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.470 -1.039 -3.367 1.00 0.00 H new ATOM 403 N GLY A 29 -9.715 -0.033 -7.307 1.00 0.00 N ATOM 404 CA GLY A 29 -8.844 0.851 -8.058 1.00 0.00 C ATOM 405 C GLY A 29 -8.089 1.816 -7.167 1.00 0.00 C ATOM 406 O GLY A 29 -7.529 2.804 -7.641 1.00 0.00 O ATOM 0 H GLY A 29 -9.252 -0.569 -6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.132 0.255 -8.629 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.437 1.415 -8.778 1.00 0.00 H new ATOM 410 N VAL A 30 -8.074 1.531 -5.868 1.00 0.00 N ATOM 411 CA VAL A 30 -7.383 2.382 -4.906 1.00 0.00 C ATOM 412 C VAL A 30 -5.957 1.897 -4.670 1.00 0.00 C ATOM 413 O VAL A 30 -5.738 0.758 -4.259 1.00 0.00 O ATOM 414 CB VAL A 30 -8.128 2.427 -3.560 1.00 0.00 C ATOM 415 CG1 VAL A 30 -7.719 3.658 -2.764 1.00 0.00 C ATOM 416 CG2 VAL A 30 -9.632 2.402 -3.782 1.00 0.00 C ATOM 0 H VAL A 30 -8.533 0.717 -5.458 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.357 3.385 -5.331 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.854 1.543 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.256 3.673 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.646 3.628 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.962 4.556 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.142 2.434 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.926 3.266 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.907 1.488 -4.308 1.00 0.00 H new ATOM 426 N ALA A 31 -4.989 2.771 -4.931 1.00 0.00 N ATOM 427 CA ALA A 31 -3.584 2.433 -4.744 1.00 0.00 C ATOM 428 C ALA A 31 -3.243 2.299 -3.263 1.00 0.00 C ATOM 429 O ALA A 31 -3.384 3.252 -2.495 1.00 0.00 O ATOM 430 CB ALA A 31 -2.697 3.481 -5.399 1.00 0.00 C ATOM 0 H ALA A 31 -5.153 3.718 -5.272 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.402 1.470 -5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.650 3.215 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.913 3.525 -6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.891 4.455 -4.949 1.00 0.00 H new ATOM 436 N LEU A 32 -2.796 1.112 -2.868 1.00 0.00 N ATOM 437 CA LEU A 32 -2.437 0.854 -1.478 1.00 0.00 C ATOM 438 C LEU A 32 -0.947 0.555 -1.348 1.00 0.00 C ATOM 439 O LEU A 32 -0.292 0.172 -2.318 1.00 0.00 O ATOM 440 CB LEU A 32 -3.255 -0.316 -0.928 1.00 0.00 C ATOM 441 CG LEU A 32 -4.599 0.043 -0.297 1.00 0.00 C ATOM 442 CD1 LEU A 32 -4.397 0.666 1.075 1.00 0.00 C ATOM 443 CD2 LEU A 32 -5.379 0.986 -1.202 1.00 0.00 C ATOM 0 H LEU A 32 -2.674 0.313 -3.490 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.661 1.749 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.434 -1.021 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.653 -0.835 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.176 -0.874 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.366 0.915 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.881 -0.042 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.799 1.572 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.334 1.231 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.805 1.900 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.557 0.503 -2.163 1.00 0.00 H new ATOM 455 N THR A 33 -0.416 0.730 -0.142 1.00 0.00 N ATOM 456 CA THR A 33 0.996 0.478 0.116 1.00 0.00 C ATOM 457 C THR A 33 1.176 -0.585 1.195 1.00 0.00 C ATOM 458 O THR A 33 0.998 -0.315 2.382 1.00 0.00 O ATOM 459 CB THR A 33 1.726 1.763 0.550 1.00 0.00 C ATOM 460 OG1 THR A 33 1.224 2.884 -0.187 1.00 0.00 O ATOM 461 CG2 THR A 33 3.225 1.635 0.329 1.00 0.00 C ATOM 0 H THR A 33 -0.943 1.046 0.672 1.00 0.00 H new ATOM 0 HA THR A 33 1.430 0.121 -0.818 1.00 0.00 H new ATOM 0 HB THR A 33 1.544 1.916 1.614 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.692 3.697 0.096 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.719 2.555 0.643 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.609 0.799 0.914 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.423 1.459 -0.728 1.00 0.00 H new ATOM 469 N VAL A 34 1.532 -1.794 0.773 1.00 0.00 N ATOM 470 CA VAL A 34 1.739 -2.897 1.704 1.00 0.00 C ATOM 471 C VAL A 34 3.192 -3.361 1.692 1.00 0.00 C ATOM 472 O VAL A 34 3.749 -3.671 0.639 1.00 0.00 O ATOM 473 CB VAL A 34 0.828 -4.092 1.369 1.00 0.00 C ATOM 474 CG1 VAL A 34 0.911 -5.149 2.458 1.00 0.00 C ATOM 475 CG2 VAL A 34 -0.607 -3.629 1.172 1.00 0.00 C ATOM 0 H VAL A 34 1.683 -2.034 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 34 1.487 -2.525 2.697 1.00 0.00 H new ATOM 0 HB VAL A 34 1.173 -4.539 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.260 -5.986 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.939 -5.502 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.594 -4.719 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.237 -4.487 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.966 -3.156 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.649 -2.912 0.352 1.00 0.00 H new ATOM 485 N THR A 35 3.802 -3.405 2.873 1.00 0.00 N ATOM 486 CA THR A 35 5.190 -3.830 2.999 1.00 0.00 C ATOM 487 C THR A 35 5.304 -5.351 2.979 1.00 0.00 C ATOM 488 O THR A 35 6.049 -5.916 2.179 1.00 0.00 O ATOM 489 CB THR A 35 5.825 -3.296 4.298 1.00 0.00 C ATOM 490 OG1 THR A 35 5.636 -1.881 4.390 1.00 0.00 O ATOM 491 CG2 THR A 35 7.311 -3.619 4.346 1.00 0.00 C ATOM 0 H THR A 35 3.356 -3.152 3.755 1.00 0.00 H new ATOM 0 HA THR A 35 5.726 -3.417 2.144 1.00 0.00 H new ATOM 0 HB THR A 35 5.336 -3.782 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.041 -1.550 5.219 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.738 -3.232 5.272 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.450 -4.699 4.306 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.811 -3.157 3.495 1.00 0.00 H new ATOM 499 N GLY A 36 4.561 -6.007 3.864 1.00 0.00 N ATOM 500 CA GLY A 36 4.593 -7.457 3.930 1.00 0.00 C ATOM 501 C GLY A 36 5.941 -7.987 4.378 1.00 0.00 C ATOM 502 O GLY A 36 6.980 -7.404 4.067 1.00 0.00 O ATOM 0 H GLY A 36 3.937 -5.561 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.823 -7.803 4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.352 -7.868 2.950 1.00 0.00 H new ATOM 506 N VAL A 37 5.924 -9.094 5.114 1.00 0.00 N ATOM 507 CA VAL A 37 7.153 -9.702 5.606 1.00 0.00 C ATOM 508 C VAL A 37 7.010 -11.216 5.722 1.00 0.00 C ATOM 509 O VAL A 37 6.095 -11.714 6.377 1.00 0.00 O ATOM 510 CB VAL A 37 7.553 -9.129 6.980 1.00 0.00 C ATOM 511 CG1 VAL A 37 8.568 -10.034 7.661 1.00 0.00 C ATOM 512 CG2 VAL A 37 8.100 -7.718 6.828 1.00 0.00 C ATOM 0 H VAL A 37 5.072 -9.587 5.382 1.00 0.00 H new ATOM 0 HA VAL A 37 7.933 -9.468 4.882 1.00 0.00 H new ATOM 0 HB VAL A 37 6.664 -9.084 7.609 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.838 -9.613 8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.135 -11.024 7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.459 -10.114 7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.378 -7.328 7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.978 -7.736 6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.337 -7.078 6.386 1.00 0.00 H new ATOM 522 N ALA A 38 7.921 -11.942 5.084 1.00 0.00 N ATOM 523 CA ALA A 38 7.897 -13.399 5.117 1.00 0.00 C ATOM 524 C ALA A 38 9.310 -13.972 5.103 1.00 0.00 C ATOM 525 O ALA A 38 10.247 -13.324 4.636 1.00 0.00 O ATOM 526 CB ALA A 38 7.094 -13.941 3.944 1.00 0.00 C ATOM 0 H ALA A 38 8.685 -11.545 4.538 1.00 0.00 H new ATOM 0 HA ALA A 38 7.417 -13.708 6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.085 -15.030 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.072 -13.567 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.550 -13.614 3.009 1.00 0.00 H new ATOM 532 N GLN A 39 9.456 -15.189 5.619 1.00 0.00 N ATOM 533 CA GLN A 39 10.756 -15.847 5.666 1.00 0.00 C ATOM 534 C GLN A 39 10.818 -17.003 4.673 1.00 0.00 C ATOM 535 O GLN A 39 9.867 -17.773 4.541 1.00 0.00 O ATOM 536 CB GLN A 39 11.042 -16.357 7.079 1.00 0.00 C ATOM 537 CG GLN A 39 12.524 -16.477 7.395 1.00 0.00 C ATOM 538 CD GLN A 39 13.133 -15.163 7.845 1.00 0.00 C ATOM 539 OE1 GLN A 39 12.653 -14.089 7.486 1.00 0.00 O ATOM 540 NE2 GLN A 39 14.196 -15.245 8.638 1.00 0.00 N ATOM 0 H GLN A 39 8.690 -15.738 6.010 1.00 0.00 H new ATOM 0 HA GLN A 39 11.515 -15.115 5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.579 -15.683 7.800 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.572 -17.332 7.206 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.666 -17.225 8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.052 -16.834 6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.560 -16.158 8.910 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.648 -14.395 8.974 1.00 0.00 H new ATOM 549 N VAL A 40 11.943 -17.118 3.976 1.00 0.00 N ATOM 550 CA VAL A 40 12.130 -18.180 2.994 1.00 0.00 C ATOM 551 C VAL A 40 13.516 -18.803 3.115 1.00 0.00 C ATOM 552 O VAL A 40 14.443 -18.186 3.642 1.00 0.00 O ATOM 553 CB VAL A 40 11.937 -17.658 1.558 1.00 0.00 C ATOM 554 CG1 VAL A 40 13.109 -16.780 1.147 1.00 0.00 C ATOM 555 CG2 VAL A 40 11.765 -18.818 0.588 1.00 0.00 C ATOM 0 H VAL A 40 12.740 -16.489 4.073 1.00 0.00 H new ATOM 0 HA VAL A 40 11.375 -18.938 3.201 1.00 0.00 H new ATOM 0 HB VAL A 40 11.031 -17.052 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.955 -16.420 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.182 -15.930 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.031 -17.360 1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.630 -18.431 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.651 -19.452 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.891 -19.403 0.872 1.00 0.00 H new ATOM 565 N LYS A 41 13.652 -20.030 2.624 1.00 0.00 N ATOM 566 CA LYS A 41 14.926 -20.738 2.674 1.00 0.00 C ATOM 567 C LYS A 41 15.047 -21.723 1.516 1.00 0.00 C ATOM 568 O LYS A 41 14.043 -22.169 0.960 1.00 0.00 O ATOM 569 CB LYS A 41 15.067 -21.480 4.005 1.00 0.00 C ATOM 570 CG LYS A 41 13.893 -22.389 4.323 1.00 0.00 C ATOM 571 CD LYS A 41 14.246 -23.401 5.401 1.00 0.00 C ATOM 572 CE LYS A 41 13.420 -24.671 5.265 1.00 0.00 C ATOM 573 NZ LYS A 41 13.763 -25.670 6.313 1.00 0.00 N ATOM 0 H LYS A 41 12.895 -20.555 2.187 1.00 0.00 H new ATOM 0 HA LYS A 41 15.726 -20.003 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 41 15.981 -22.074 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.179 -20.751 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.045 -21.788 4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.582 -22.913 3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.306 -23.647 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 41 14.079 -22.960 6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.360 -24.424 5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.584 -25.107 4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.179 -26.521 6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.768 -25.925 6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.582 -25.263 7.253 1.00 0.00 H new ATOM 587 N ILE A 42 16.282 -22.058 1.158 1.00 0.00 N ATOM 588 CA ILE A 42 16.533 -22.992 0.067 1.00 0.00 C ATOM 589 C ILE A 42 16.535 -24.432 0.566 1.00 0.00 C ATOM 590 O ILE A 42 17.123 -24.739 1.602 1.00 0.00 O ATOM 591 CB ILE A 42 17.877 -22.698 -0.627 1.00 0.00 C ATOM 592 CG1 ILE A 42 18.013 -21.201 -0.912 1.00 0.00 C ATOM 593 CG2 ILE A 42 17.994 -23.502 -1.914 1.00 0.00 C ATOM 594 CD1 ILE A 42 18.983 -20.884 -2.028 1.00 0.00 C ATOM 0 H ILE A 42 17.124 -21.697 1.607 1.00 0.00 H new ATOM 0 HA ILE A 42 15.725 -22.861 -0.653 1.00 0.00 H new ATOM 0 HB ILE A 42 18.687 -22.995 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.033 -20.798 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.339 -20.695 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.948 -23.284 -2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.938 -24.566 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 42 17.180 -23.232 -2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.029 -19.805 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 42 19.973 -21.257 -1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 42 18.647 -21.361 -2.949 1.00 0.00 H new ATOM 606 N MET A 43 15.875 -25.313 -0.180 1.00 0.00 N ATOM 607 CA MET A 43 15.804 -26.722 0.185 1.00 0.00 C ATOM 608 C MET A 43 16.986 -27.495 -0.392 1.00 0.00 C ATOM 609 O MET A 43 17.821 -26.933 -1.101 1.00 0.00 O ATOM 610 CB MET A 43 14.490 -27.333 -0.308 1.00 0.00 C ATOM 611 CG MET A 43 13.302 -27.024 0.587 1.00 0.00 C ATOM 612 SD MET A 43 11.764 -27.736 -0.029 1.00 0.00 S ATOM 613 CE MET A 43 11.390 -26.616 -1.375 1.00 0.00 C ATOM 0 H MET A 43 15.382 -25.075 -1.041 1.00 0.00 H new ATOM 0 HA MET A 43 15.844 -26.792 1.272 1.00 0.00 H new ATOM 0 HB2 MET A 43 14.283 -26.965 -1.313 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.607 -28.414 -0.382 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.498 -27.405 1.589 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.189 -25.943 0.673 1.00 0.00 H new ATOM 0 HE1 MET A 43 10.327 -26.374 -1.362 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.972 -25.702 -1.260 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.643 -27.090 -2.324 1.00 0.00 H new ATOM 737 N VAL A 51 18.525 -29.135 -9.860 1.00 0.00 N ATOM 738 CA VAL A 51 17.360 -28.342 -10.236 1.00 0.00 C ATOM 739 C VAL A 51 17.522 -26.889 -9.805 1.00 0.00 C ATOM 740 O VAL A 51 17.190 -25.968 -10.552 1.00 0.00 O ATOM 741 CB VAL A 51 16.071 -28.910 -9.614 1.00 0.00 C ATOM 742 CG1 VAL A 51 16.255 -29.145 -8.123 1.00 0.00 C ATOM 743 CG2 VAL A 51 14.899 -27.976 -9.874 1.00 0.00 C ATOM 0 HA VAL A 51 17.282 -28.389 -11.322 1.00 0.00 H new ATOM 0 HB VAL A 51 15.854 -29.869 -10.084 1.00 0.00 H new ATOM 0 HG11 VAL A 51 15.333 -29.546 -7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 51 17.066 -29.855 -7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 51 16.497 -28.202 -7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.996 -28.392 -9.428 1.00 0.00 H new ATOM 0 HG22 VAL A 51 15.106 -27.001 -9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.754 -27.864 -10.949 1.00 0.00 H new ATOM 753 N ALA A 52 18.035 -26.690 -8.595 1.00 0.00 N ATOM 754 CA ALA A 52 18.244 -25.348 -8.065 1.00 0.00 C ATOM 755 C ALA A 52 19.727 -24.996 -8.030 1.00 0.00 C ATOM 756 O ALA A 52 20.108 -23.851 -8.273 1.00 0.00 O ATOM 757 CB ALA A 52 17.638 -25.231 -6.674 1.00 0.00 C ATOM 0 H ALA A 52 18.313 -27.441 -7.963 1.00 0.00 H new ATOM 0 HA ALA A 52 17.746 -24.640 -8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.801 -24.224 -6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.568 -25.431 -6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 52 18.111 -25.954 -6.009 1.00 0.00 H new ATOM 763 N CYS A 53 20.558 -25.986 -7.726 1.00 0.00 N ATOM 764 CA CYS A 53 22.001 -25.780 -7.658 1.00 0.00 C ATOM 765 C CYS A 53 22.540 -25.268 -8.990 1.00 0.00 C ATOM 766 O CYS A 53 23.301 -24.302 -9.031 1.00 0.00 O ATOM 767 CB CYS A 53 22.705 -27.082 -7.275 1.00 0.00 C ATOM 768 SG CYS A 53 22.825 -27.360 -5.492 1.00 0.00 S ATOM 0 H CYS A 53 20.258 -26.939 -7.523 1.00 0.00 H new ATOM 0 HA CYS A 53 22.201 -25.029 -6.893 1.00 0.00 H new ATOM 0 HB2 CYS A 53 22.171 -27.918 -7.727 1.00 0.00 H new ATOM 0 HB3 CYS A 53 23.709 -27.078 -7.700 1.00 0.00 H new ATOM 0 HG CYS A 53 23.434 -28.487 -5.268 1.00 0.00 H new ATOM 774 N GLU A 54 22.141 -25.923 -10.075 1.00 0.00 N ATOM 775 CA GLU A 54 22.587 -25.536 -11.407 1.00 0.00 C ATOM 776 C GLU A 54 21.816 -24.317 -11.907 1.00 0.00 C ATOM 777 O GLU A 54 22.175 -23.713 -12.917 1.00 0.00 O ATOM 778 CB GLU A 54 22.415 -26.699 -12.387 1.00 0.00 C ATOM 779 CG GLU A 54 23.411 -27.826 -12.174 1.00 0.00 C ATOM 780 CD GLU A 54 24.807 -27.467 -12.645 1.00 0.00 C ATOM 781 OE1 GLU A 54 25.116 -27.713 -13.829 1.00 0.00 O ATOM 782 OE2 GLU A 54 25.590 -26.940 -11.826 1.00 0.00 O ATOM 0 H GLU A 54 21.510 -26.724 -10.057 1.00 0.00 H new ATOM 0 HA GLU A 54 23.644 -25.276 -11.346 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.404 -27.096 -12.293 1.00 0.00 H new ATOM 0 HB3 GLU A 54 22.516 -26.323 -13.405 1.00 0.00 H new ATOM 0 HG2 GLU A 54 23.443 -28.082 -11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 54 23.069 -28.714 -12.706 1.00 0.00 H new ATOM 789 N GLN A 55 20.753 -23.964 -11.191 1.00 0.00 N ATOM 790 CA GLN A 55 19.930 -22.819 -11.561 1.00 0.00 C ATOM 791 C GLN A 55 20.436 -21.545 -10.893 1.00 0.00 C ATOM 792 O GLN A 55 20.088 -20.436 -11.303 1.00 0.00 O ATOM 793 CB GLN A 55 18.470 -23.066 -11.174 1.00 0.00 C ATOM 794 CG GLN A 55 17.559 -21.882 -11.447 1.00 0.00 C ATOM 795 CD GLN A 55 16.134 -22.299 -11.755 1.00 0.00 C ATOM 796 OE1 GLN A 55 15.902 -23.242 -12.513 1.00 0.00 O ATOM 797 NE2 GLN A 55 15.172 -21.599 -11.168 1.00 0.00 N ATOM 0 H GLN A 55 20.442 -24.454 -10.352 1.00 0.00 H new ATOM 0 HA GLN A 55 19.996 -22.692 -12.642 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.099 -23.932 -11.722 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.421 -23.314 -10.114 1.00 0.00 H new ATOM 0 HG2 GLN A 55 17.560 -21.220 -10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 55 17.955 -21.310 -12.286 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.410 -20.826 -10.547 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.194 -21.834 -11.337 1.00 0.00 H new ATOM 806 N PHE A 56 21.259 -21.709 -9.863 1.00 0.00 N ATOM 807 CA PHE A 56 21.812 -20.572 -9.138 1.00 0.00 C ATOM 808 C PHE A 56 23.328 -20.511 -9.298 1.00 0.00 C ATOM 809 O PHE A 56 23.898 -19.439 -9.507 1.00 0.00 O ATOM 810 CB PHE A 56 21.449 -20.661 -7.653 1.00 0.00 C ATOM 811 CG PHE A 56 19.984 -20.466 -7.383 1.00 0.00 C ATOM 812 CD1 PHE A 56 19.303 -19.389 -7.926 1.00 0.00 C ATOM 813 CD2 PHE A 56 19.289 -21.359 -6.584 1.00 0.00 C ATOM 814 CE1 PHE A 56 17.956 -19.205 -7.679 1.00 0.00 C ATOM 815 CE2 PHE A 56 17.941 -21.182 -6.334 1.00 0.00 C ATOM 816 CZ PHE A 56 17.274 -20.103 -6.881 1.00 0.00 C ATOM 0 H PHE A 56 21.558 -22.619 -9.512 1.00 0.00 H new ATOM 0 HA PHE A 56 21.382 -19.662 -9.557 1.00 0.00 H new ATOM 0 HB2 PHE A 56 21.755 -21.635 -7.270 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.015 -19.910 -7.103 1.00 0.00 H new ATOM 0 HD1 PHE A 56 19.832 -18.684 -8.550 1.00 0.00 H new ATOM 0 HD2 PHE A 56 19.806 -22.203 -6.152 1.00 0.00 H new ATOM 0 HE1 PHE A 56 17.437 -18.361 -8.109 1.00 0.00 H new ATOM 0 HE2 PHE A 56 17.410 -21.887 -5.712 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.221 -19.962 -6.685 1.00 0.00 H new ATOM 904 N GLN A 62 22.955 -12.292 -3.461 1.00 0.00 N ATOM 905 CA GLN A 62 22.018 -11.197 -3.682 1.00 0.00 C ATOM 906 C GLN A 62 21.118 -11.483 -4.881 1.00 0.00 C ATOM 907 O GLN A 62 19.928 -11.173 -4.865 1.00 0.00 O ATOM 908 CB GLN A 62 22.775 -9.886 -3.899 1.00 0.00 C ATOM 909 CG GLN A 62 23.917 -10.000 -4.894 1.00 0.00 C ATOM 910 CD GLN A 62 24.814 -8.778 -4.896 1.00 0.00 C ATOM 911 OE1 GLN A 62 25.632 -8.593 -3.994 1.00 0.00 O ATOM 912 NE2 GLN A 62 24.667 -7.937 -5.912 1.00 0.00 N ATOM 0 HA GLN A 62 21.392 -11.104 -2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 62 22.076 -9.126 -4.247 1.00 0.00 H new ATOM 0 HB3 GLN A 62 23.170 -9.542 -2.943 1.00 0.00 H new ATOM 0 HG2 GLN A 62 24.512 -10.882 -4.659 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.509 -10.148 -5.894 1.00 0.00 H new ATOM 0 HE21 GLN A 62 23.977 -8.130 -6.638 1.00 0.00 H new ATOM 0 HE22 GLN A 62 25.244 -7.098 -5.967 1.00 0.00 H new ATOM 921 N ASP A 63 21.697 -12.075 -5.919 1.00 0.00 N ATOM 922 CA ASP A 63 20.949 -12.404 -7.127 1.00 0.00 C ATOM 923 C ASP A 63 19.797 -13.352 -6.811 1.00 0.00 C ATOM 924 O ASP A 63 18.674 -13.159 -7.280 1.00 0.00 O ATOM 925 CB ASP A 63 21.873 -13.034 -8.170 1.00 0.00 C ATOM 926 CG ASP A 63 21.363 -12.848 -9.585 1.00 0.00 C ATOM 927 OD1 ASP A 63 20.135 -12.696 -9.757 1.00 0.00 O ATOM 928 OD2 ASP A 63 22.189 -12.854 -10.521 1.00 0.00 O ATOM 0 H ASP A 63 22.682 -12.337 -5.949 1.00 0.00 H new ATOM 0 HA ASP A 63 20.535 -11.480 -7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 63 22.866 -12.593 -8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 63 21.978 -14.099 -7.962 1.00 0.00 H new ATOM 933 N ILE A 64 20.082 -14.376 -6.015 1.00 0.00 N ATOM 934 CA ILE A 64 19.069 -15.354 -5.637 1.00 0.00 C ATOM 935 C ILE A 64 17.894 -14.685 -4.934 1.00 0.00 C ATOM 936 O ILE A 64 16.750 -14.784 -5.381 1.00 0.00 O ATOM 937 CB ILE A 64 19.652 -16.441 -4.713 1.00 0.00 C ATOM 938 CG1 ILE A 64 20.519 -17.413 -5.518 1.00 0.00 C ATOM 939 CG2 ILE A 64 18.535 -17.185 -4.000 1.00 0.00 C ATOM 940 CD1 ILE A 64 21.968 -16.991 -5.616 1.00 0.00 C ATOM 0 H ILE A 64 21.006 -14.551 -5.619 1.00 0.00 H new ATOM 0 HA ILE A 64 18.721 -15.819 -6.559 1.00 0.00 H new ATOM 0 HB ILE A 64 20.279 -15.961 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 64 20.467 -18.400 -5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 64 20.108 -17.507 -6.523 1.00 0.00 H new ATOM 0 HG21 ILE A 64 18.963 -17.949 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 64 17.955 -16.483 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 64 17.884 -17.657 -4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 64 22.522 -17.726 -6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 64 22.031 -16.018 -6.103 1.00 0.00 H new ATOM 0 HD13 ILE A 64 22.396 -16.925 -4.616 1.00 0.00 H new ATOM 952 N LYS A 65 18.182 -13.999 -3.833 1.00 0.00 N ATOM 953 CA LYS A 65 17.149 -13.309 -3.068 1.00 0.00 C ATOM 954 C LYS A 65 16.161 -12.610 -3.997 1.00 0.00 C ATOM 955 O LYS A 65 14.948 -12.704 -3.811 1.00 0.00 O ATOM 956 CB LYS A 65 17.784 -12.288 -2.121 1.00 0.00 C ATOM 957 CG LYS A 65 18.232 -12.884 -0.797 1.00 0.00 C ATOM 958 CD LYS A 65 19.618 -13.496 -0.901 1.00 0.00 C ATOM 959 CE LYS A 65 20.018 -14.193 0.390 1.00 0.00 C ATOM 960 NZ LYS A 65 20.487 -13.226 1.421 1.00 0.00 N ATOM 0 H LYS A 65 19.123 -13.906 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 65 16.608 -14.052 -2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.643 -11.832 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.067 -11.490 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.232 -12.110 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 65 17.520 -13.646 -0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.640 -14.211 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 65 20.344 -12.717 -1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.168 -14.754 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 65 20.808 -14.915 0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 20.750 -13.741 2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 21.314 -12.708 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 19.725 -12.553 1.638 1.00 0.00 H new ATOM 974 N ASN A 66 16.688 -11.911 -4.997 1.00 0.00 N ATOM 975 CA ASN A 66 15.851 -11.197 -5.955 1.00 0.00 C ATOM 976 C ASN A 66 14.871 -12.147 -6.635 1.00 0.00 C ATOM 977 O ASN A 66 13.656 -12.012 -6.490 1.00 0.00 O ATOM 978 CB ASN A 66 16.720 -10.505 -7.007 1.00 0.00 C ATOM 979 CG ASN A 66 17.598 -9.422 -6.409 1.00 0.00 C ATOM 980 OD1 ASN A 66 17.177 -8.691 -5.513 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.825 -9.313 -6.906 1.00 0.00 N ATOM 0 H ASN A 66 17.690 -11.824 -5.165 1.00 0.00 H new ATOM 0 HA ASN A 66 15.281 -10.444 -5.411 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.348 -11.247 -7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 66 16.080 -10.068 -7.773 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.460 -8.601 -6.545 1.00 0.00 H new ATOM 0 HD22 ASN A 66 19.132 -9.941 -7.649 1.00 0.00 H new ATOM 988 N VAL A 67 15.407 -13.111 -7.377 1.00 0.00 N ATOM 989 CA VAL A 67 14.580 -14.086 -8.079 1.00 0.00 C ATOM 990 C VAL A 67 13.407 -14.534 -7.215 1.00 0.00 C ATOM 991 O VAL A 67 12.247 -14.367 -7.591 1.00 0.00 O ATOM 992 CB VAL A 67 15.399 -15.322 -8.493 1.00 0.00 C ATOM 993 CG1 VAL A 67 14.514 -16.340 -9.195 1.00 0.00 C ATOM 994 CG2 VAL A 67 16.565 -14.915 -9.382 1.00 0.00 C ATOM 0 H VAL A 67 16.411 -13.238 -7.508 1.00 0.00 H new ATOM 0 HA VAL A 67 14.201 -13.594 -8.975 1.00 0.00 H new ATOM 0 HB VAL A 67 15.802 -15.786 -7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.111 -17.206 -9.480 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.717 -16.654 -8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.079 -15.890 -10.087 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.133 -15.801 -9.665 1.00 0.00 H new ATOM 0 HG22 VAL A 67 16.185 -14.425 -10.279 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.213 -14.227 -8.840 1.00 0.00 H new ATOM 1004 N VAL A 68 13.716 -15.102 -6.054 1.00 0.00 N ATOM 1005 CA VAL A 68 12.688 -15.573 -5.135 1.00 0.00 C ATOM 1006 C VAL A 68 11.734 -14.447 -4.753 1.00 0.00 C ATOM 1007 O VAL A 68 10.516 -14.629 -4.733 1.00 0.00 O ATOM 1008 CB VAL A 68 13.307 -16.164 -3.854 1.00 0.00 C ATOM 1009 CG1 VAL A 68 12.220 -16.688 -2.929 1.00 0.00 C ATOM 1010 CG2 VAL A 68 14.300 -17.263 -4.201 1.00 0.00 C ATOM 0 H VAL A 68 14.671 -15.247 -5.728 1.00 0.00 H new ATOM 0 HA VAL A 68 12.133 -16.354 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 68 13.844 -15.373 -3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.676 -17.102 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.551 -15.872 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.652 -17.466 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.728 -17.669 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.789 -18.057 -4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.096 -16.851 -4.822 1.00 0.00 H new ATOM 1020 N LEU A 69 12.296 -13.281 -4.451 1.00 0.00 N ATOM 1021 CA LEU A 69 11.496 -12.122 -4.070 1.00 0.00 C ATOM 1022 C LEU A 69 10.454 -11.805 -5.138 1.00 0.00 C ATOM 1023 O LEU A 69 9.310 -11.479 -4.823 1.00 0.00 O ATOM 1024 CB LEU A 69 12.398 -10.908 -3.843 1.00 0.00 C ATOM 1025 CG LEU A 69 11.686 -9.595 -3.514 1.00 0.00 C ATOM 1026 CD1 LEU A 69 11.102 -9.643 -2.110 1.00 0.00 C ATOM 1027 CD2 LEU A 69 12.641 -8.419 -3.657 1.00 0.00 C ATOM 0 H LEU A 69 13.302 -13.113 -4.463 1.00 0.00 H new ATOM 0 HA LEU A 69 10.976 -12.359 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.086 -11.139 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.002 -10.756 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 69 10.868 -9.460 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.599 -8.701 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.385 -10.461 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.903 -9.802 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.117 -7.493 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.480 -8.547 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.011 -8.373 -4.681 1.00 0.00 H new ATOM 1039 N GLN A 70 10.858 -11.904 -6.400 1.00 0.00 N ATOM 1040 CA GLN A 70 9.958 -11.629 -7.513 1.00 0.00 C ATOM 1041 C GLN A 70 8.748 -12.556 -7.477 1.00 0.00 C ATOM 1042 O GLN A 70 7.635 -12.157 -7.823 1.00 0.00 O ATOM 1043 CB GLN A 70 10.696 -11.786 -8.844 1.00 0.00 C ATOM 1044 CG GLN A 70 11.774 -10.739 -9.070 1.00 0.00 C ATOM 1045 CD GLN A 70 12.332 -10.769 -10.479 1.00 0.00 C ATOM 1046 OE1 GLN A 70 12.146 -11.741 -11.211 1.00 0.00 O ATOM 1047 NE2 GLN A 70 13.022 -9.703 -10.865 1.00 0.00 N ATOM 0 H GLN A 70 11.802 -12.172 -6.677 1.00 0.00 H new ATOM 0 HA GLN A 70 9.608 -10.601 -7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.149 -12.776 -8.884 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.974 -11.733 -9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.363 -9.750 -8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.585 -10.899 -8.359 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.151 -8.920 -10.225 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.423 -9.667 -11.802 1.00 0.00 H new ATOM 1056 N THR A 71 8.971 -13.797 -7.057 1.00 0.00 N ATOM 1057 CA THR A 71 7.900 -14.783 -6.977 1.00 0.00 C ATOM 1058 C THR A 71 6.837 -14.358 -5.971 1.00 0.00 C ATOM 1059 O THR A 71 5.669 -14.182 -6.322 1.00 0.00 O ATOM 1060 CB THR A 71 8.440 -16.170 -6.581 1.00 0.00 C ATOM 1061 OG1 THR A 71 9.525 -16.536 -7.440 1.00 0.00 O ATOM 1062 CG2 THR A 71 7.344 -17.221 -6.664 1.00 0.00 C ATOM 0 H THR A 71 9.885 -14.144 -6.766 1.00 0.00 H new ATOM 0 HA THR A 71 7.454 -14.846 -7.969 1.00 0.00 H new ATOM 0 HB THR A 71 8.794 -16.118 -5.551 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.303 -17.365 -7.913 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.749 -18.192 -6.380 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.532 -16.954 -5.987 1.00 0.00 H new ATOM 0 HG23 THR A 71 6.964 -17.271 -7.684 1.00 0.00 H new ATOM 1070 N LEU A 72 7.247 -14.193 -4.718 1.00 0.00 N ATOM 1071 CA LEU A 72 6.329 -13.787 -3.660 1.00 0.00 C ATOM 1072 C LEU A 72 5.757 -12.400 -3.937 1.00 0.00 C ATOM 1073 O LEU A 72 4.558 -12.171 -3.782 1.00 0.00 O ATOM 1074 CB LEU A 72 7.043 -13.797 -2.306 1.00 0.00 C ATOM 1075 CG LEU A 72 7.516 -15.162 -1.807 1.00 0.00 C ATOM 1076 CD1 LEU A 72 8.335 -15.010 -0.535 1.00 0.00 C ATOM 1077 CD2 LEU A 72 6.330 -16.086 -1.574 1.00 0.00 C ATOM 0 H LEU A 72 8.209 -14.334 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 72 5.505 -14.500 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.907 -13.136 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.371 -13.373 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 72 8.151 -15.607 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.663 -15.992 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.206 -14.386 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.724 -14.543 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.686 -17.053 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.668 -15.647 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.785 -16.221 -2.508 1.00 0.00 H new ATOM 1089 N GLU A 73 6.624 -11.480 -4.348 1.00 0.00 N ATOM 1090 CA GLU A 73 6.204 -10.116 -4.648 1.00 0.00 C ATOM 1091 C GLU A 73 5.171 -10.099 -5.771 1.00 0.00 C ATOM 1092 O GLU A 73 4.097 -9.516 -5.633 1.00 0.00 O ATOM 1093 CB GLU A 73 7.412 -9.262 -5.037 1.00 0.00 C ATOM 1094 CG GLU A 73 8.222 -8.775 -3.847 1.00 0.00 C ATOM 1095 CD GLU A 73 9.075 -7.564 -4.177 1.00 0.00 C ATOM 1096 OE1 GLU A 73 9.504 -7.443 -5.343 1.00 0.00 O ATOM 1097 OE2 GLU A 73 9.310 -6.740 -3.270 1.00 0.00 O ATOM 0 H GLU A 73 7.620 -11.654 -4.481 1.00 0.00 H new ATOM 0 HA GLU A 73 5.746 -9.698 -3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.060 -9.842 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.068 -8.400 -5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.546 -8.526 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.864 -9.582 -3.495 1.00 0.00 H new ATOM 1104 N GLY A 74 5.507 -10.743 -6.885 1.00 0.00 N ATOM 1105 CA GLY A 74 4.599 -10.790 -8.017 1.00 0.00 C ATOM 1106 C GLY A 74 3.194 -11.193 -7.616 1.00 0.00 C ATOM 1107 O GLY A 74 2.215 -10.634 -8.112 1.00 0.00 O ATOM 0 H GLY A 74 6.391 -11.233 -7.024 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.570 -9.812 -8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.980 -11.496 -8.755 1.00 0.00 H new ATOM 1111 N HIS A 75 3.092 -12.168 -6.718 1.00 0.00 N ATOM 1112 CA HIS A 75 1.796 -12.646 -6.253 1.00 0.00 C ATOM 1113 C HIS A 75 1.112 -11.600 -5.378 1.00 0.00 C ATOM 1114 O HIS A 75 -0.041 -11.236 -5.612 1.00 0.00 O ATOM 1115 CB HIS A 75 1.960 -13.952 -5.474 1.00 0.00 C ATOM 1116 CG HIS A 75 2.573 -15.056 -6.278 1.00 0.00 C ATOM 1117 ND1 HIS A 75 3.650 -15.837 -6.032 1.00 0.00 N flip ATOM 1118 CD2 HIS A 75 2.074 -15.466 -7.497 1.00 0.00 C flip ATOM 1119 CE1 HIS A 75 3.782 -16.696 -7.096 1.00 0.00 C flip ATOM 1120 NE2 HIS A 75 2.818 -16.452 -7.965 1.00 0.00 N flip ATOM 0 H HIS A 75 3.892 -12.642 -6.298 1.00 0.00 H new ATOM 0 HA HIS A 75 1.170 -12.829 -7.126 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.579 -13.766 -4.596 1.00 0.00 H new ATOM 0 HB3 HIS A 75 0.984 -14.275 -5.113 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.210 -15.046 -7.991 1.00 0.00 H new ATOM 0 HE1 HIS A 75 4.549 -17.448 -7.204 1.00 0.00 H new ATOM 0 HE2 HIS A 75 2.673 -16.942 -8.848 1.00 0.00 H new ATOM 1129 N LEU A 76 1.831 -11.119 -4.369 1.00 0.00 N ATOM 1130 CA LEU A 76 1.294 -10.115 -3.457 1.00 0.00 C ATOM 1131 C LEU A 76 0.379 -9.143 -4.196 1.00 0.00 C ATOM 1132 O LEU A 76 -0.765 -8.929 -3.797 1.00 0.00 O ATOM 1133 CB LEU A 76 2.434 -9.347 -2.784 1.00 0.00 C ATOM 1134 CG LEU A 76 2.091 -8.661 -1.461 1.00 0.00 C ATOM 1135 CD1 LEU A 76 1.881 -9.692 -0.363 1.00 0.00 C ATOM 1136 CD2 LEU A 76 3.186 -7.679 -1.072 1.00 0.00 C ATOM 0 H LEU A 76 2.787 -11.408 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 76 0.709 -10.628 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.258 -10.039 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.796 -8.590 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 76 1.162 -8.106 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.638 -9.185 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.062 -10.356 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.793 -10.275 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.926 -7.199 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.130 -8.212 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.287 -6.921 -1.848 1.00 0.00 H new ATOM 1148 N ARG A 77 0.890 -8.560 -5.275 1.00 0.00 N ATOM 1149 CA ARG A 77 0.119 -7.612 -6.070 1.00 0.00 C ATOM 1150 C ARG A 77 -1.070 -8.301 -6.734 1.00 0.00 C ATOM 1151 O ARG A 77 -2.162 -7.738 -6.812 1.00 0.00 O ATOM 1152 CB ARG A 77 1.007 -6.965 -7.135 1.00 0.00 C ATOM 1153 CG ARG A 77 0.444 -5.666 -7.688 1.00 0.00 C ATOM 1154 CD ARG A 77 -0.446 -5.914 -8.896 1.00 0.00 C ATOM 1155 NE ARG A 77 0.302 -6.472 -10.020 1.00 0.00 N ATOM 1156 CZ ARG A 77 1.176 -5.777 -10.740 1.00 0.00 C ATOM 1157 NH1 ARG A 77 1.411 -4.503 -10.452 1.00 0.00 N ATOM 1158 NH2 ARG A 77 1.817 -6.354 -11.748 1.00 0.00 N ATOM 0 H ARG A 77 1.835 -8.728 -5.619 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.258 -6.838 -5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.991 -6.772 -6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.148 -7.669 -7.955 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.127 -5.156 -6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.263 -5.003 -7.968 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.250 -6.597 -8.620 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.914 -4.978 -9.200 1.00 0.00 H new ATOM 0 HE ARG A 77 0.145 -7.449 -10.266 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.920 -4.056 -9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.082 -3.970 -11.005 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.639 -7.333 -11.972 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.488 -5.818 -12.299 1.00 0.00 H new ATOM 1172 N SER A 78 -0.849 -9.522 -7.211 1.00 0.00 N ATOM 1173 CA SER A 78 -1.901 -10.286 -7.872 1.00 0.00 C ATOM 1174 C SER A 78 -3.076 -10.522 -6.929 1.00 0.00 C ATOM 1175 O SER A 78 -4.233 -10.329 -7.301 1.00 0.00 O ATOM 1176 CB SER A 78 -1.352 -11.626 -8.368 1.00 0.00 C ATOM 1177 OG SER A 78 -1.230 -12.552 -7.302 1.00 0.00 O ATOM 0 H SER A 78 0.048 -10.003 -7.152 1.00 0.00 H new ATOM 0 HA SER A 78 -2.254 -9.708 -8.726 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.013 -12.033 -9.134 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.379 -11.474 -8.835 1.00 0.00 H new ATOM 0 HG SER A 78 -0.876 -12.095 -6.511 1.00 0.00 H new ATOM 1183 N ILE A 79 -2.770 -10.940 -5.705 1.00 0.00 N ATOM 1184 CA ILE A 79 -3.799 -11.202 -4.707 1.00 0.00 C ATOM 1185 C ILE A 79 -4.506 -9.915 -4.296 1.00 0.00 C ATOM 1186 O ILE A 79 -5.734 -9.868 -4.209 1.00 0.00 O ATOM 1187 CB ILE A 79 -3.211 -11.874 -3.453 1.00 0.00 C ATOM 1188 CG1 ILE A 79 -2.430 -13.132 -3.841 1.00 0.00 C ATOM 1189 CG2 ILE A 79 -4.317 -12.214 -2.466 1.00 0.00 C ATOM 1190 CD1 ILE A 79 -3.268 -14.165 -4.561 1.00 0.00 C ATOM 0 H ILE A 79 -1.817 -11.104 -5.381 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.519 -11.879 -5.167 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.525 -11.176 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.592 -12.848 -4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.009 -13.580 -2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.885 -12.688 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.834 -11.301 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.026 -12.896 -2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.650 -15.029 -4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.091 -14.478 -3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.668 -13.734 -5.479 1.00 0.00 H new ATOM 1202 N LEU A 80 -3.724 -8.871 -4.045 1.00 0.00 N ATOM 1203 CA LEU A 80 -4.274 -7.581 -3.645 1.00 0.00 C ATOM 1204 C LEU A 80 -5.259 -7.062 -4.687 1.00 0.00 C ATOM 1205 O LEU A 80 -6.374 -6.661 -4.358 1.00 0.00 O ATOM 1206 CB LEU A 80 -3.148 -6.565 -3.440 1.00 0.00 C ATOM 1207 CG LEU A 80 -3.458 -5.400 -2.499 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -2.177 -4.848 -1.894 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.217 -4.307 -3.237 1.00 0.00 C ATOM 0 H LEU A 80 -2.706 -8.893 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.807 -7.718 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.275 -7.093 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.872 -6.157 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.088 -5.768 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.417 -4.020 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.673 -5.633 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.521 -4.495 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.429 -3.486 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.612 -3.941 -4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.154 -4.710 -3.621 1.00 0.00 H new ATOM 1221 N GLY A 81 -4.838 -7.073 -5.949 1.00 0.00 N ATOM 1222 CA GLY A 81 -5.697 -6.603 -7.021 1.00 0.00 C ATOM 1223 C GLY A 81 -7.113 -7.130 -6.903 1.00 0.00 C ATOM 1224 O GLY A 81 -8.075 -6.363 -6.957 1.00 0.00 O ATOM 0 H GLY A 81 -3.919 -7.399 -6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.717 -5.513 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.277 -6.909 -7.979 1.00 0.00 H new ATOM 1228 N THR A 82 -7.243 -8.443 -6.744 1.00 0.00 N ATOM 1229 CA THR A 82 -8.552 -9.072 -6.621 1.00 0.00 C ATOM 1230 C THR A 82 -9.151 -8.830 -5.241 1.00 0.00 C ATOM 1231 O THR A 82 -10.343 -9.054 -5.021 1.00 0.00 O ATOM 1232 CB THR A 82 -8.473 -10.589 -6.875 1.00 0.00 C ATOM 1233 OG1 THR A 82 -9.732 -11.202 -6.581 1.00 0.00 O ATOM 1234 CG2 THR A 82 -7.384 -11.223 -6.021 1.00 0.00 C ATOM 0 H THR A 82 -6.457 -9.092 -6.697 1.00 0.00 H new ATOM 0 HA THR A 82 -9.193 -8.618 -7.377 1.00 0.00 H new ATOM 0 HB THR A 82 -8.230 -10.747 -7.926 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.258 -10.609 -6.005 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.346 -12.295 -6.217 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.421 -10.775 -6.267 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.604 -11.054 -4.967 1.00 0.00 H new ATOM 1242 N LEU A 83 -8.320 -8.370 -4.312 1.00 0.00 N ATOM 1243 CA LEU A 83 -8.769 -8.096 -2.952 1.00 0.00 C ATOM 1244 C LEU A 83 -9.061 -6.611 -2.763 1.00 0.00 C ATOM 1245 O LEU A 83 -8.199 -5.762 -2.994 1.00 0.00 O ATOM 1246 CB LEU A 83 -7.712 -8.550 -1.944 1.00 0.00 C ATOM 1247 CG LEU A 83 -8.209 -8.813 -0.522 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -8.645 -10.261 -0.367 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -7.129 -8.468 0.493 1.00 0.00 C ATOM 0 H LEU A 83 -7.332 -8.179 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.690 -8.654 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.249 -9.462 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.931 -7.791 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.072 -8.174 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.995 -10.428 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.452 -10.475 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.801 -10.919 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.500 -8.661 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.247 -9.081 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.865 -7.414 0.400 1.00 0.00 H new ATOM 1261 N THR A 84 -10.283 -6.302 -2.341 1.00 0.00 N ATOM 1262 CA THR A 84 -10.690 -4.920 -2.121 1.00 0.00 C ATOM 1263 C THR A 84 -9.910 -4.294 -0.970 1.00 0.00 C ATOM 1264 O THR A 84 -9.647 -4.946 0.041 1.00 0.00 O ATOM 1265 CB THR A 84 -12.197 -4.818 -1.820 1.00 0.00 C ATOM 1266 OG1 THR A 84 -12.484 -5.410 -0.548 1.00 0.00 O ATOM 1267 CG2 THR A 84 -13.013 -5.510 -2.903 1.00 0.00 C ATOM 0 H THR A 84 -11.009 -6.991 -2.145 1.00 0.00 H new ATOM 0 HA THR A 84 -10.474 -4.377 -3.041 1.00 0.00 H new ATOM 0 HB THR A 84 -12.470 -3.763 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.444 -5.339 -0.363 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.074 -5.425 -2.669 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.815 -5.038 -3.865 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.735 -6.563 -2.951 1.00 0.00 H new ATOM 1275 N VAL A 85 -9.544 -3.026 -1.129 1.00 0.00 N ATOM 1276 CA VAL A 85 -8.796 -2.312 -0.101 1.00 0.00 C ATOM 1277 C VAL A 85 -9.396 -2.549 1.280 1.00 0.00 C ATOM 1278 O VAL A 85 -8.672 -2.709 2.262 1.00 0.00 O ATOM 1279 CB VAL A 85 -8.763 -0.797 -0.382 1.00 0.00 C ATOM 1280 CG1 VAL A 85 -10.175 -0.235 -0.442 1.00 0.00 C ATOM 1281 CG2 VAL A 85 -7.939 -0.079 0.676 1.00 0.00 C ATOM 0 H VAL A 85 -9.753 -2.472 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.778 -2.701 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.291 -0.633 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.132 0.836 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.730 -0.730 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.676 -0.407 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.926 0.990 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.381 -0.248 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.919 -0.464 0.666 1.00 0.00 H new ATOM 1291 N GLU A 86 -10.724 -2.571 1.348 1.00 0.00 N ATOM 1292 CA GLU A 86 -11.421 -2.788 2.609 1.00 0.00 C ATOM 1293 C GLU A 86 -10.999 -4.111 3.243 1.00 0.00 C ATOM 1294 O GLU A 86 -10.895 -4.222 4.464 1.00 0.00 O ATOM 1295 CB GLU A 86 -12.935 -2.775 2.391 1.00 0.00 C ATOM 1296 CG GLU A 86 -13.524 -1.377 2.301 1.00 0.00 C ATOM 1297 CD GLU A 86 -13.817 -0.780 3.664 1.00 0.00 C ATOM 1298 OE1 GLU A 86 -13.052 -1.061 4.611 1.00 0.00 O ATOM 1299 OE2 GLU A 86 -14.811 -0.033 3.784 1.00 0.00 O ATOM 0 H GLU A 86 -11.338 -2.441 0.544 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.152 -1.977 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.166 -3.318 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.416 -3.311 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.831 -0.728 1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.444 -1.411 1.718 1.00 0.00 H new ATOM 1306 N GLN A 87 -10.759 -5.113 2.402 1.00 0.00 N ATOM 1307 CA GLN A 87 -10.350 -6.429 2.880 1.00 0.00 C ATOM 1308 C GLN A 87 -8.951 -6.379 3.482 1.00 0.00 C ATOM 1309 O GLN A 87 -8.738 -6.803 4.618 1.00 0.00 O ATOM 1310 CB GLN A 87 -10.390 -7.444 1.736 1.00 0.00 C ATOM 1311 CG GLN A 87 -11.739 -8.128 1.577 1.00 0.00 C ATOM 1312 CD GLN A 87 -11.700 -9.270 0.582 1.00 0.00 C ATOM 1313 OE1 GLN A 87 -11.281 -10.381 0.909 1.00 0.00 O ATOM 1314 NE2 GLN A 87 -12.138 -9.003 -0.643 1.00 0.00 N ATOM 0 H GLN A 87 -10.841 -5.039 1.388 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.048 -6.739 3.657 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.136 -6.939 0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -9.625 -8.202 1.907 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.067 -8.506 2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.478 -7.395 1.254 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.477 -8.068 -0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.136 -9.733 -1.356 1.00 0.00 H new ATOM 1323 N ILE A 88 -7.999 -5.858 2.714 1.00 0.00 N ATOM 1324 CA ILE A 88 -6.620 -5.752 3.173 1.00 0.00 C ATOM 1325 C ILE A 88 -6.556 -5.244 4.609 1.00 0.00 C ATOM 1326 O ILE A 88 -5.850 -5.808 5.447 1.00 0.00 O ATOM 1327 CB ILE A 88 -5.798 -4.812 2.271 1.00 0.00 C ATOM 1328 CG1 ILE A 88 -5.548 -5.465 0.910 1.00 0.00 C ATOM 1329 CG2 ILE A 88 -4.480 -4.453 2.942 1.00 0.00 C ATOM 1330 CD1 ILE A 88 -6.608 -5.141 -0.119 1.00 0.00 C ATOM 0 H ILE A 88 -8.158 -5.503 1.771 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.193 -6.754 3.125 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.366 -3.895 2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.577 -5.142 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.496 -6.546 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.910 -3.788 2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.679 -3.952 3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.906 -5.361 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.366 -5.637 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.578 -5.489 0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.645 -4.063 -0.277 1.00 0.00 H new ATOM 1342 N TYR A 89 -7.298 -4.179 4.889 1.00 0.00 N ATOM 1343 CA TYR A 89 -7.326 -3.595 6.224 1.00 0.00 C ATOM 1344 C TYR A 89 -8.092 -4.489 7.193 1.00 0.00 C ATOM 1345 O TYR A 89 -7.586 -4.844 8.258 1.00 0.00 O ATOM 1346 CB TYR A 89 -7.963 -2.205 6.182 1.00 0.00 C ATOM 1347 CG TYR A 89 -7.022 -1.121 5.705 1.00 0.00 C ATOM 1348 CD1 TYR A 89 -5.927 -0.738 6.469 1.00 0.00 C ATOM 1349 CD2 TYR A 89 -7.229 -0.482 4.489 1.00 0.00 C ATOM 1350 CE1 TYR A 89 -5.065 0.252 6.037 1.00 0.00 C ATOM 1351 CE2 TYR A 89 -6.371 0.509 4.048 1.00 0.00 C ATOM 1352 CZ TYR A 89 -5.292 0.871 4.827 1.00 0.00 C ATOM 1353 OH TYR A 89 -4.435 1.857 4.392 1.00 0.00 O ATOM 0 H TYR A 89 -7.889 -3.702 4.208 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.298 -3.506 6.576 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.833 -2.233 5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.323 -1.949 7.179 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.746 -1.222 7.417 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.074 -0.764 3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.219 0.539 6.644 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.545 0.996 3.100 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.735 2.190 3.521 1.00 0.00 H new ATOM 1363 N GLN A 90 -9.314 -4.849 6.816 1.00 0.00 N ATOM 1364 CA GLN A 90 -10.150 -5.702 7.652 1.00 0.00 C ATOM 1365 C GLN A 90 -9.333 -6.834 8.266 1.00 0.00 C ATOM 1366 O GLN A 90 -9.217 -6.937 9.488 1.00 0.00 O ATOM 1367 CB GLN A 90 -11.307 -6.279 6.833 1.00 0.00 C ATOM 1368 CG GLN A 90 -12.534 -5.382 6.797 1.00 0.00 C ATOM 1369 CD GLN A 90 -13.381 -5.503 8.048 1.00 0.00 C ATOM 1370 OE1 GLN A 90 -13.948 -6.559 8.329 1.00 0.00 O ATOM 1371 NE2 GLN A 90 -13.473 -4.417 8.808 1.00 0.00 N ATOM 0 H GLN A 90 -9.747 -4.564 5.938 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.554 -5.091 8.459 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.966 -6.456 5.813 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.587 -7.247 7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.219 -4.346 6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.139 -5.635 5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -12.986 -3.562 8.537 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.030 -4.438 9.662 1.00 0.00 H new ATOM 1380 N ASP A 91 -8.768 -7.679 7.412 1.00 0.00 N ATOM 1381 CA ASP A 91 -7.960 -8.803 7.870 1.00 0.00 C ATOM 1382 C ASP A 91 -6.641 -8.872 7.107 1.00 0.00 C ATOM 1383 O ASP A 91 -6.612 -9.228 5.928 1.00 0.00 O ATOM 1384 CB ASP A 91 -8.729 -10.115 7.703 1.00 0.00 C ATOM 1385 CG ASP A 91 -10.226 -9.932 7.866 1.00 0.00 C ATOM 1386 OD1 ASP A 91 -10.636 -9.200 8.789 1.00 0.00 O ATOM 1387 OD2 ASP A 91 -10.986 -10.524 7.071 1.00 0.00 O ATOM 0 H ASP A 91 -8.854 -7.607 6.398 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.740 -8.652 8.927 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.522 -10.532 6.717 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.372 -10.838 8.436 1.00 0.00 H new ATOM 1392 N ARG A 92 -5.552 -8.527 7.785 1.00 0.00 N ATOM 1393 CA ARG A 92 -4.230 -8.547 7.169 1.00 0.00 C ATOM 1394 C ARG A 92 -3.657 -9.962 7.157 1.00 0.00 C ATOM 1395 O ARG A 92 -3.237 -10.464 6.115 1.00 0.00 O ATOM 1396 CB ARG A 92 -3.282 -7.608 7.916 1.00 0.00 C ATOM 1397 CG ARG A 92 -3.612 -6.136 7.732 1.00 0.00 C ATOM 1398 CD ARG A 92 -2.659 -5.248 8.516 1.00 0.00 C ATOM 1399 NE ARG A 92 -3.244 -3.943 8.811 1.00 0.00 N ATOM 1400 CZ ARG A 92 -4.258 -3.765 9.650 1.00 0.00 C ATOM 1401 NH1 ARG A 92 -4.796 -4.802 10.276 1.00 0.00 N ATOM 1402 NH2 ARG A 92 -4.735 -2.545 9.866 1.00 0.00 N ATOM 0 H ARG A 92 -5.558 -8.230 8.761 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.331 -8.206 6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.310 -7.848 8.979 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.262 -7.788 7.575 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.561 -5.880 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.636 -5.948 8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.387 -5.743 9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.739 -5.113 7.947 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.852 -3.123 8.347 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.431 -5.741 10.114 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.575 -4.661 10.920 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.323 -1.744 9.388 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.514 -2.409 10.510 1.00 0.00 H new ATOM 1416 N ASP A 93 -3.643 -10.598 8.323 1.00 0.00 N ATOM 1417 CA ASP A 93 -3.123 -11.955 8.448 1.00 0.00 C ATOM 1418 C ASP A 93 -3.713 -12.865 7.375 1.00 0.00 C ATOM 1419 O ASP A 93 -3.035 -13.753 6.859 1.00 0.00 O ATOM 1420 CB ASP A 93 -3.430 -12.516 9.837 1.00 0.00 C ATOM 1421 CG ASP A 93 -2.605 -11.857 10.924 1.00 0.00 C ATOM 1422 OD1 ASP A 93 -2.662 -10.615 11.040 1.00 0.00 O ATOM 1423 OD2 ASP A 93 -1.903 -12.583 11.659 1.00 0.00 O ATOM 0 H ASP A 93 -3.986 -10.196 9.195 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.042 -11.917 8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.489 -12.378 10.055 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.241 -13.589 9.842 1.00 0.00 H new ATOM 1428 N GLN A 94 -4.980 -12.636 7.045 1.00 0.00 N ATOM 1429 CA GLN A 94 -5.662 -13.436 6.035 1.00 0.00 C ATOM 1430 C GLN A 94 -5.134 -13.117 4.640 1.00 0.00 C ATOM 1431 O GLN A 94 -4.947 -14.012 3.817 1.00 0.00 O ATOM 1432 CB GLN A 94 -7.171 -13.190 6.091 1.00 0.00 C ATOM 1433 CG GLN A 94 -7.992 -14.304 5.466 1.00 0.00 C ATOM 1434 CD GLN A 94 -8.159 -14.137 3.968 1.00 0.00 C ATOM 1435 OE1 GLN A 94 -8.041 -13.031 3.438 1.00 0.00 O ATOM 1436 NE2 GLN A 94 -8.435 -15.236 3.276 1.00 0.00 N ATOM 0 H GLN A 94 -5.554 -11.904 7.462 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.465 -14.487 6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.472 -13.068 7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.397 -12.253 5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.513 -15.261 5.670 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.975 -14.333 5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.524 -16.132 3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.558 -15.184 2.265 1.00 0.00 H new ATOM 1445 N PHE A 95 -4.898 -11.835 4.381 1.00 0.00 N ATOM 1446 CA PHE A 95 -4.393 -11.397 3.086 1.00 0.00 C ATOM 1447 C PHE A 95 -2.997 -11.957 2.828 1.00 0.00 C ATOM 1448 O PHE A 95 -2.645 -12.279 1.694 1.00 0.00 O ATOM 1449 CB PHE A 95 -4.362 -9.868 3.016 1.00 0.00 C ATOM 1450 CG PHE A 95 -3.649 -9.337 1.806 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -4.016 -9.746 0.534 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -2.610 -8.430 1.941 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -3.362 -9.259 -0.582 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -1.952 -7.939 0.829 1.00 0.00 C ATOM 1455 CZ PHE A 95 -2.328 -8.355 -0.434 1.00 0.00 C ATOM 0 H PHE A 95 -5.049 -11.081 5.052 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.065 -11.775 2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.385 -9.491 3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.877 -9.481 3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.823 -10.454 0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.311 -8.103 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.659 -9.585 -1.568 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.145 -7.231 0.947 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.814 -7.974 -1.304 1.00 0.00 H new ATOM 1465 N ALA A 96 -2.205 -12.068 3.890 1.00 0.00 N ATOM 1466 CA ALA A 96 -0.849 -12.590 3.780 1.00 0.00 C ATOM 1467 C ALA A 96 -0.858 -14.090 3.504 1.00 0.00 C ATOM 1468 O ALA A 96 0.155 -14.665 3.106 1.00 0.00 O ATOM 1469 CB ALA A 96 -0.064 -12.290 5.048 1.00 0.00 C ATOM 0 H ALA A 96 -2.480 -11.803 4.836 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.363 -12.095 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.947 -12.686 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.019 -11.212 5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.557 -12.757 5.900 1.00 0.00 H new ATOM 1475 N LYS A 97 -2.009 -14.719 3.719 1.00 0.00 N ATOM 1476 CA LYS A 97 -2.151 -16.152 3.492 1.00 0.00 C ATOM 1477 C LYS A 97 -2.397 -16.448 2.016 1.00 0.00 C ATOM 1478 O LYS A 97 -1.712 -17.277 1.415 1.00 0.00 O ATOM 1479 CB LYS A 97 -3.300 -16.710 4.335 1.00 0.00 C ATOM 1480 CG LYS A 97 -3.986 -17.911 3.707 1.00 0.00 C ATOM 1481 CD LYS A 97 -5.110 -18.433 4.586 1.00 0.00 C ATOM 1482 CE LYS A 97 -6.277 -17.459 4.637 1.00 0.00 C ATOM 1483 NZ LYS A 97 -7.547 -18.134 5.022 1.00 0.00 N ATOM 0 H LYS A 97 -2.857 -14.258 4.050 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.221 -16.636 3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.917 -16.992 5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.037 -15.923 4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.385 -17.634 2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.255 -18.703 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.454 -19.395 4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.734 -18.605 5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.057 -16.666 5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.398 -16.986 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.263 -17.418 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.887 -18.713 4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.380 -18.743 5.848 1.00 0.00 H new ATOM 1497 N LEU A 98 -3.379 -15.765 1.437 1.00 0.00 N ATOM 1498 CA LEU A 98 -3.715 -15.954 0.030 1.00 0.00 C ATOM 1499 C LEU A 98 -2.474 -15.837 -0.848 1.00 0.00 C ATOM 1500 O LEU A 98 -2.468 -16.279 -1.996 1.00 0.00 O ATOM 1501 CB LEU A 98 -4.761 -14.927 -0.407 1.00 0.00 C ATOM 1502 CG LEU A 98 -6.141 -15.056 0.241 1.00 0.00 C ATOM 1503 CD1 LEU A 98 -6.215 -14.222 1.510 1.00 0.00 C ATOM 1504 CD2 LEU A 98 -7.231 -14.640 -0.738 1.00 0.00 C ATOM 0 H LEU A 98 -3.956 -15.076 1.920 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.127 -16.956 -0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.374 -13.931 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.881 -14.998 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.300 -16.101 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.204 -14.326 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.459 -14.566 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.035 -13.175 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.206 -14.738 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.076 -13.603 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.193 -15.281 -1.619 1.00 0.00 H new ATOM 1516 N VAL A 99 -1.421 -15.240 -0.298 1.00 0.00 N ATOM 1517 CA VAL A 99 -0.171 -15.067 -1.028 1.00 0.00 C ATOM 1518 C VAL A 99 0.757 -16.258 -0.818 1.00 0.00 C ATOM 1519 O VAL A 99 1.055 -16.999 -1.755 1.00 0.00 O ATOM 1520 CB VAL A 99 0.557 -13.780 -0.600 1.00 0.00 C ATOM 1521 CG1 VAL A 99 1.758 -13.522 -1.496 1.00 0.00 C ATOM 1522 CG2 VAL A 99 -0.398 -12.595 -0.620 1.00 0.00 C ATOM 0 H VAL A 99 -1.409 -14.868 0.652 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.429 -14.993 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 99 0.917 -13.910 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.260 -12.608 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.451 -14.360 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.425 -13.413 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.134 -11.694 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.790 -12.461 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.222 -12.780 0.068 1.00 0.00 H new ATOM 1532 N ARG A 100 1.211 -16.436 0.418 1.00 0.00 N ATOM 1533 CA ARG A 100 2.107 -17.536 0.752 1.00 0.00 C ATOM 1534 C ARG A 100 1.484 -18.878 0.378 1.00 0.00 C ATOM 1535 O ARG A 100 2.191 -19.858 0.145 1.00 0.00 O ATOM 1536 CB ARG A 100 2.440 -17.517 2.246 1.00 0.00 C ATOM 1537 CG ARG A 100 1.294 -17.981 3.131 1.00 0.00 C ATOM 1538 CD ARG A 100 1.803 -18.545 4.448 1.00 0.00 C ATOM 1539 NE ARG A 100 0.831 -18.379 5.525 1.00 0.00 N ATOM 1540 CZ ARG A 100 1.083 -18.674 6.796 1.00 0.00 C ATOM 1541 NH1 ARG A 100 2.272 -19.146 7.146 1.00 0.00 N ATOM 1542 NH2 ARG A 100 0.146 -18.496 7.719 1.00 0.00 N ATOM 0 H ARG A 100 0.973 -15.832 1.205 1.00 0.00 H new ATOM 0 HA ARG A 100 3.026 -17.408 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.307 -18.153 2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.723 -16.505 2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.622 -17.145 3.327 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.713 -18.741 2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.031 -19.604 4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.734 -18.048 4.720 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.093 -18.016 5.289 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.995 -19.283 6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.464 -19.372 8.122 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.769 -18.132 7.453 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.341 -18.723 8.694 1.00 0.00 H new ATOM 1556 N GLU A 101 0.155 -18.913 0.320 1.00 0.00 N ATOM 1557 CA GLU A 101 -0.561 -20.134 -0.025 1.00 0.00 C ATOM 1558 C GLU A 101 -0.465 -20.417 -1.522 1.00 0.00 C ATOM 1559 O GLU A 101 -0.438 -21.572 -1.947 1.00 0.00 O ATOM 1560 CB GLU A 101 -2.030 -20.024 0.390 1.00 0.00 C ATOM 1561 CG GLU A 101 -2.894 -19.282 -0.616 1.00 0.00 C ATOM 1562 CD GLU A 101 -4.374 -19.387 -0.304 1.00 0.00 C ATOM 1563 OE1 GLU A 101 -4.755 -19.140 0.859 1.00 0.00 O ATOM 1564 OE2 GLU A 101 -5.151 -19.717 -1.224 1.00 0.00 O ATOM 0 H GLU A 101 -0.445 -18.110 0.507 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.098 -20.961 0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.434 -21.026 0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.090 -19.515 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.604 -18.231 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.708 -19.681 -1.613 1.00 0.00 H new ATOM 1571 N VAL A 102 -0.413 -19.353 -2.317 1.00 0.00 N ATOM 1572 CA VAL A 102 -0.319 -19.485 -3.767 1.00 0.00 C ATOM 1573 C VAL A 102 1.135 -19.560 -4.218 1.00 0.00 C ATOM 1574 O VAL A 102 1.435 -20.064 -5.299 1.00 0.00 O ATOM 1575 CB VAL A 102 -1.008 -18.309 -4.483 1.00 0.00 C ATOM 1576 CG1 VAL A 102 -0.288 -17.003 -4.182 1.00 0.00 C ATOM 1577 CG2 VAL A 102 -1.068 -18.560 -5.982 1.00 0.00 C ATOM 0 H VAL A 102 -0.434 -18.390 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 102 -0.827 -20.411 -4.035 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.029 -18.227 -4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.790 -16.184 -4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.302 -16.819 -3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.744 -17.069 -4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.558 -17.719 -6.472 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.057 -18.669 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.632 -19.472 -6.176 1.00 0.00 H new ATOM 1587 N ALA A 103 2.036 -19.053 -3.382 1.00 0.00 N ATOM 1588 CA ALA A 103 3.459 -19.065 -3.694 1.00 0.00 C ATOM 1589 C ALA A 103 4.127 -20.329 -3.164 1.00 0.00 C ATOM 1590 O ALA A 103 5.109 -20.808 -3.731 1.00 0.00 O ATOM 1591 CB ALA A 103 4.136 -17.829 -3.120 1.00 0.00 C ATOM 0 H ALA A 103 1.805 -18.629 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 103 3.567 -19.055 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.199 -17.851 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.685 -16.935 -3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.010 -17.815 -2.037 1.00 0.00 H new ATOM 1597 N ALA A 104 3.589 -20.866 -2.074 1.00 0.00 N ATOM 1598 CA ALA A 104 4.131 -22.075 -1.470 1.00 0.00 C ATOM 1599 C ALA A 104 4.314 -23.174 -2.510 1.00 0.00 C ATOM 1600 O ALA A 104 5.421 -23.656 -2.752 1.00 0.00 O ATOM 1601 CB ALA A 104 3.226 -22.556 -0.344 1.00 0.00 C ATOM 0 H ALA A 104 2.777 -20.481 -1.591 1.00 0.00 H new ATOM 0 HA ALA A 104 5.111 -21.836 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.644 -23.460 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 104 3.151 -21.781 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.234 -22.771 -0.741 1.00 0.00 H new ATOM 1607 N PRO A 105 3.203 -23.584 -3.141 1.00 0.00 N ATOM 1608 CA PRO A 105 3.216 -24.631 -4.166 1.00 0.00 C ATOM 1609 C PRO A 105 3.897 -24.176 -5.452 1.00 0.00 C ATOM 1610 O PRO A 105 4.023 -24.946 -6.405 1.00 0.00 O ATOM 1611 CB PRO A 105 1.729 -24.901 -4.415 1.00 0.00 C ATOM 1612 CG PRO A 105 1.045 -23.635 -4.033 1.00 0.00 C ATOM 1613 CD PRO A 105 1.850 -23.053 -2.904 1.00 0.00 C ATOM 0 HA PRO A 105 3.776 -25.509 -3.844 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.542 -25.153 -5.459 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.373 -25.739 -3.816 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.001 -22.946 -4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.018 -23.825 -3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.837 -21.963 -2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.462 -23.361 -1.933 1.00 0.00 H new ATOM 1621 N ASP A 106 4.334 -22.923 -5.473 1.00 0.00 N ATOM 1622 CA ASP A 106 5.004 -22.365 -6.642 1.00 0.00 C ATOM 1623 C ASP A 106 6.520 -22.438 -6.485 1.00 0.00 C ATOM 1624 O ASP A 106 7.208 -23.068 -7.287 1.00 0.00 O ATOM 1625 CB ASP A 106 4.570 -20.916 -6.863 1.00 0.00 C ATOM 1626 CG ASP A 106 3.280 -20.811 -7.652 1.00 0.00 C ATOM 1627 OD1 ASP A 106 2.259 -21.368 -7.198 1.00 0.00 O ATOM 1628 OD2 ASP A 106 3.292 -20.175 -8.727 1.00 0.00 O ATOM 0 H ASP A 106 4.237 -22.273 -4.693 1.00 0.00 H new ATOM 0 HA ASP A 106 4.718 -22.957 -7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 106 4.442 -20.427 -5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 106 5.359 -20.380 -7.390 1.00 0.00 H new ATOM 1633 N VAL A 107 7.034 -21.786 -5.447 1.00 0.00 N ATOM 1634 CA VAL A 107 8.468 -21.775 -5.185 1.00 0.00 C ATOM 1635 C VAL A 107 9.027 -23.193 -5.131 1.00 0.00 C ATOM 1636 O VAL A 107 10.135 -23.452 -5.599 1.00 0.00 O ATOM 1637 CB VAL A 107 8.791 -21.058 -3.861 1.00 0.00 C ATOM 1638 CG1 VAL A 107 8.666 -19.550 -4.025 1.00 0.00 C ATOM 1639 CG2 VAL A 107 7.881 -21.558 -2.748 1.00 0.00 C ATOM 0 H VAL A 107 6.478 -21.258 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 107 8.936 -21.233 -6.007 1.00 0.00 H new ATOM 0 HB VAL A 107 9.821 -21.286 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.898 -19.061 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.362 -19.208 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.648 -19.300 -4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.123 -21.041 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.842 -21.362 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 107 8.025 -22.630 -2.614 1.00 0.00 H new ATOM 1649 N GLY A 108 8.252 -24.108 -4.557 1.00 0.00 N ATOM 1650 CA GLY A 108 8.686 -25.489 -4.454 1.00 0.00 C ATOM 1651 C GLY A 108 9.285 -26.006 -5.746 1.00 0.00 C ATOM 1652 O GLY A 108 10.385 -26.559 -5.750 1.00 0.00 O ATOM 0 H GLY A 108 7.331 -23.918 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.422 -25.577 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.837 -26.114 -4.175 1.00 0.00 H new ATOM 1656 N ARG A 109 8.559 -25.830 -6.846 1.00 0.00 N ATOM 1657 CA ARG A 109 9.025 -26.286 -8.149 1.00 0.00 C ATOM 1658 C ARG A 109 10.466 -25.849 -8.396 1.00 0.00 C ATOM 1659 O ARG A 109 11.312 -26.655 -8.783 1.00 0.00 O ATOM 1660 CB ARG A 109 8.120 -25.742 -9.256 1.00 0.00 C ATOM 1661 CG ARG A 109 6.675 -26.200 -9.141 1.00 0.00 C ATOM 1662 CD ARG A 109 5.925 -26.012 -10.450 1.00 0.00 C ATOM 1663 NE ARG A 109 6.193 -27.094 -11.395 1.00 0.00 N ATOM 1664 CZ ARG A 109 5.770 -27.092 -12.654 1.00 0.00 C ATOM 1665 NH1 ARG A 109 5.063 -26.072 -13.117 1.00 0.00 N ATOM 1666 NH2 ARG A 109 6.054 -28.114 -13.452 1.00 0.00 N ATOM 0 H ARG A 109 7.646 -25.375 -6.860 1.00 0.00 H new ATOM 0 HA ARG A 109 8.987 -27.375 -8.159 1.00 0.00 H new ATOM 0 HB2 ARG A 109 8.150 -24.653 -9.236 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.515 -26.054 -10.223 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.647 -27.251 -8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.176 -25.639 -8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 109 4.855 -25.962 -10.250 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.211 -25.060 -10.898 1.00 0.00 H new ATOM 0 HE ARG A 109 6.735 -27.895 -11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 109 4.842 -25.285 -12.506 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.739 -26.073 -14.084 1.00 0.00 H new ATOM 0 HH21 ARG A 109 6.597 -28.901 -13.098 1.00 0.00 H new ATOM 0 HH22 ARG A 109 5.729 -28.112 -14.419 1.00 0.00 H new ATOM 1680 N MET A 110 10.738 -24.568 -8.170 1.00 0.00 N ATOM 1681 CA MET A 110 12.076 -24.024 -8.367 1.00 0.00 C ATOM 1682 C MET A 110 13.064 -24.642 -7.382 1.00 0.00 C ATOM 1683 O MET A 110 14.233 -24.844 -7.705 1.00 0.00 O ATOM 1684 CB MET A 110 12.061 -22.503 -8.205 1.00 0.00 C ATOM 1685 CG MET A 110 11.005 -21.813 -9.053 1.00 0.00 C ATOM 1686 SD MET A 110 11.325 -20.050 -9.262 1.00 0.00 S ATOM 1687 CE MET A 110 11.113 -19.466 -7.583 1.00 0.00 C ATOM 0 H MET A 110 10.049 -23.887 -7.850 1.00 0.00 H new ATOM 0 HA MET A 110 12.396 -24.271 -9.379 1.00 0.00 H new ATOM 0 HB2 MET A 110 11.890 -22.259 -7.157 1.00 0.00 H new ATOM 0 HB3 MET A 110 13.042 -22.108 -8.468 1.00 0.00 H new ATOM 0 HG2 MET A 110 10.963 -22.289 -10.033 1.00 0.00 H new ATOM 0 HG3 MET A 110 10.027 -21.949 -8.590 1.00 0.00 H new ATOM 0 HE1 MET A 110 11.296 -18.392 -7.545 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.095 -19.672 -7.252 1.00 0.00 H new ATOM 0 HE3 MET A 110 11.818 -19.978 -6.928 1.00 0.00 H new ATOM 1697 N GLY A 111 12.585 -24.939 -6.178 1.00 0.00 N ATOM 1698 CA GLY A 111 13.440 -25.530 -5.165 1.00 0.00 C ATOM 1699 C GLY A 111 13.424 -24.749 -3.865 1.00 0.00 C ATOM 1700 O GLY A 111 14.107 -25.112 -2.908 1.00 0.00 O ATOM 0 H GLY A 111 11.621 -24.781 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 111 13.118 -26.554 -4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.462 -25.582 -5.541 1.00 0.00 H new ATOM 1704 N ILE A 112 12.643 -23.674 -3.832 1.00 0.00 N ATOM 1705 CA ILE A 112 12.542 -22.841 -2.641 1.00 0.00 C ATOM 1706 C ILE A 112 11.265 -23.145 -1.865 1.00 0.00 C ATOM 1707 O ILE A 112 10.217 -23.406 -2.453 1.00 0.00 O ATOM 1708 CB ILE A 112 12.568 -21.343 -2.998 1.00 0.00 C ATOM 1709 CG1 ILE A 112 13.929 -20.959 -3.583 1.00 0.00 C ATOM 1710 CG2 ILE A 112 12.257 -20.500 -1.770 1.00 0.00 C ATOM 1711 CD1 ILE A 112 15.085 -21.224 -2.645 1.00 0.00 C ATOM 0 H ILE A 112 12.071 -23.360 -4.616 1.00 0.00 H new ATOM 0 HA ILE A 112 13.407 -23.073 -2.019 1.00 0.00 H new ATOM 0 HB ILE A 112 11.803 -21.151 -3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 112 14.088 -21.513 -4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 112 13.918 -19.901 -3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.279 -19.444 -2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.267 -20.758 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.001 -20.694 -0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 112 16.018 -20.928 -3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.950 -20.649 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.122 -22.286 -2.404 1.00 0.00 H new ATOM 1723 N GLU A 113 11.362 -23.107 -0.539 1.00 0.00 N ATOM 1724 CA GLU A 113 10.214 -23.377 0.318 1.00 0.00 C ATOM 1725 C GLU A 113 9.990 -22.234 1.305 1.00 0.00 C ATOM 1726 O GLU A 113 10.927 -21.771 1.956 1.00 0.00 O ATOM 1727 CB GLU A 113 10.415 -24.690 1.078 1.00 0.00 C ATOM 1728 CG GLU A 113 9.505 -24.838 2.287 1.00 0.00 C ATOM 1729 CD GLU A 113 8.053 -25.044 1.903 1.00 0.00 C ATOM 1730 OE1 GLU A 113 7.568 -24.323 1.006 1.00 0.00 O ATOM 1731 OE2 GLU A 113 7.401 -25.927 2.500 1.00 0.00 O ATOM 0 H GLU A 113 12.223 -22.892 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 113 9.332 -23.464 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.241 -25.524 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.453 -24.756 1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.841 -25.683 2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.589 -23.948 2.911 1.00 0.00 H new ATOM 1738 N ILE A 114 8.744 -21.785 1.408 1.00 0.00 N ATOM 1739 CA ILE A 114 8.396 -20.698 2.315 1.00 0.00 C ATOM 1740 C ILE A 114 8.239 -21.204 3.745 1.00 0.00 C ATOM 1741 O ILE A 114 7.736 -22.305 3.974 1.00 0.00 O ATOM 1742 CB ILE A 114 7.094 -19.999 1.883 1.00 0.00 C ATOM 1743 CG1 ILE A 114 5.904 -20.945 2.046 1.00 0.00 C ATOM 1744 CG2 ILE A 114 7.203 -19.519 0.443 1.00 0.00 C ATOM 1745 CD1 ILE A 114 5.226 -20.837 3.395 1.00 0.00 C ATOM 0 H ILE A 114 7.958 -22.157 0.875 1.00 0.00 H new ATOM 0 HA ILE A 114 9.214 -19.979 2.275 1.00 0.00 H new ATOM 0 HB ILE A 114 6.935 -19.131 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.174 -20.736 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.243 -21.971 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.275 -19.027 0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.030 -18.814 0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.382 -20.372 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.391 -21.536 3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.942 -21.075 4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.856 -19.821 3.536 1.00 0.00 H new ATOM 1757 N LEU A 115 8.670 -20.392 4.704 1.00 0.00 N ATOM 1758 CA LEU A 115 8.575 -20.757 6.114 1.00 0.00 C ATOM 1759 C LEU A 115 7.328 -20.150 6.749 1.00 0.00 C ATOM 1760 O LEU A 115 6.541 -20.851 7.386 1.00 0.00 O ATOM 1761 CB LEU A 115 9.823 -20.291 6.866 1.00 0.00 C ATOM 1762 CG LEU A 115 11.136 -20.968 6.472 1.00 0.00 C ATOM 1763 CD1 LEU A 115 12.306 -20.332 7.207 1.00 0.00 C ATOM 1764 CD2 LEU A 115 11.073 -22.462 6.759 1.00 0.00 C ATOM 0 H LEU A 115 9.088 -19.478 4.532 1.00 0.00 H new ATOM 0 HA LEU A 115 8.503 -21.843 6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.932 -19.217 6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.661 -20.450 7.932 1.00 0.00 H new ATOM 0 HG LEU A 115 11.287 -20.829 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 115 13.232 -20.827 6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 115 12.364 -19.274 6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 115 12.162 -20.439 8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.016 -22.928 6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.898 -22.621 7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.259 -22.908 6.187 1.00 0.00 H new ATOM 1776 N SER A 116 7.154 -18.845 6.572 1.00 0.00 N ATOM 1777 CA SER A 116 6.004 -18.144 7.129 1.00 0.00 C ATOM 1778 C SER A 116 5.718 -16.864 6.350 1.00 0.00 C ATOM 1779 O SER A 116 6.525 -16.430 5.528 1.00 0.00 O ATOM 1780 CB SER A 116 6.247 -17.813 8.604 1.00 0.00 C ATOM 1781 OG SER A 116 5.024 -17.601 9.286 1.00 0.00 O ATOM 0 H SER A 116 7.796 -18.251 6.047 1.00 0.00 H new ATOM 0 HA SER A 116 5.137 -18.799 7.049 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.795 -18.628 9.078 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.870 -16.922 8.682 1.00 0.00 H new ATOM 0 HG SER A 116 5.206 -17.393 10.226 1.00 0.00 H new ATOM 1787 N PHE A 117 4.562 -16.264 6.614 1.00 0.00 N ATOM 1788 CA PHE A 117 4.167 -15.034 5.938 1.00 0.00 C ATOM 1789 C PHE A 117 3.346 -14.142 6.866 1.00 0.00 C ATOM 1790 O PHE A 117 2.381 -14.591 7.484 1.00 0.00 O ATOM 1791 CB PHE A 117 3.361 -15.356 4.678 1.00 0.00 C ATOM 1792 CG PHE A 117 3.500 -14.323 3.596 1.00 0.00 C ATOM 1793 CD1 PHE A 117 3.004 -13.042 3.776 1.00 0.00 C ATOM 1794 CD2 PHE A 117 4.128 -14.633 2.401 1.00 0.00 C ATOM 1795 CE1 PHE A 117 3.130 -12.090 2.781 1.00 0.00 C ATOM 1796 CE2 PHE A 117 4.258 -13.684 1.404 1.00 0.00 C ATOM 1797 CZ PHE A 117 3.759 -12.411 1.595 1.00 0.00 C ATOM 0 H PHE A 117 3.882 -16.610 7.291 1.00 0.00 H new ATOM 0 HA PHE A 117 5.073 -14.498 5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 117 3.681 -16.323 4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 117 2.308 -15.452 4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.514 -12.784 4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.521 -15.627 2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.736 -11.096 2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.749 -13.938 0.477 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.861 -11.668 0.818 1.00 0.00 H new ATOM 1807 N THR A 118 3.739 -12.876 6.958 1.00 0.00 N ATOM 1808 CA THR A 118 3.042 -11.920 7.811 1.00 0.00 C ATOM 1809 C THR A 118 3.023 -10.532 7.180 1.00 0.00 C ATOM 1810 O THR A 118 3.670 -10.295 6.160 1.00 0.00 O ATOM 1811 CB THR A 118 3.695 -11.830 9.203 1.00 0.00 C ATOM 1812 OG1 THR A 118 4.160 -13.122 9.611 1.00 0.00 O ATOM 1813 CG2 THR A 118 2.709 -11.292 10.229 1.00 0.00 C ATOM 0 H THR A 118 4.536 -12.488 6.453 1.00 0.00 H new ATOM 0 HA THR A 118 2.019 -12.280 7.920 1.00 0.00 H new ATOM 0 HB THR A 118 4.540 -11.144 9.140 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.575 -13.056 10.496 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.192 -11.237 11.204 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.380 -10.297 9.931 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.847 -11.956 10.288 1.00 0.00 H new ATOM 1821 N ILE A 119 2.279 -9.618 7.794 1.00 0.00 N ATOM 1822 CA ILE A 119 2.178 -8.254 7.294 1.00 0.00 C ATOM 1823 C ILE A 119 2.872 -7.272 8.231 1.00 0.00 C ATOM 1824 O ILE A 119 2.575 -7.219 9.424 1.00 0.00 O ATOM 1825 CB ILE A 119 0.709 -7.826 7.117 1.00 0.00 C ATOM 1826 CG1 ILE A 119 0.067 -8.595 5.960 1.00 0.00 C ATOM 1827 CG2 ILE A 119 0.619 -6.326 6.877 1.00 0.00 C ATOM 1828 CD1 ILE A 119 0.699 -8.306 4.618 1.00 0.00 C ATOM 0 H ILE A 119 1.737 -9.798 8.639 1.00 0.00 H new ATOM 0 HA ILE A 119 2.672 -8.237 6.323 1.00 0.00 H new ATOM 0 HB ILE A 119 0.165 -8.061 8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 119 0.136 -9.664 6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -0.993 -8.347 5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.425 -6.039 6.754 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.043 -5.795 7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.175 -6.068 5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 119 0.194 -8.885 3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 119 0.607 -7.243 4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 119 1.754 -8.580 4.646 1.00 0.00 H new ATOM 1840 N LYS A 120 3.798 -6.492 7.682 1.00 0.00 N ATOM 1841 CA LYS A 120 4.534 -5.508 8.467 1.00 0.00 C ATOM 1842 C LYS A 120 3.720 -4.230 8.638 1.00 0.00 C ATOM 1843 O LYS A 120 3.217 -3.944 9.724 1.00 0.00 O ATOM 1844 CB LYS A 120 5.871 -5.187 7.795 1.00 0.00 C ATOM 1845 CG LYS A 120 6.670 -4.114 8.514 1.00 0.00 C ATOM 1846 CD LYS A 120 7.515 -4.701 9.632 1.00 0.00 C ATOM 1847 CE LYS A 120 6.708 -4.872 10.909 1.00 0.00 C ATOM 1848 NZ LYS A 120 7.578 -4.880 12.119 1.00 0.00 N ATOM 0 H LYS A 120 4.056 -6.523 6.696 1.00 0.00 H new ATOM 0 HA LYS A 120 4.722 -5.933 9.453 1.00 0.00 H new ATOM 0 HB2 LYS A 120 6.468 -6.097 7.740 1.00 0.00 H new ATOM 0 HB3 LYS A 120 5.685 -4.865 6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.315 -3.601 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 120 5.990 -3.367 8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 120 7.913 -5.666 9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 120 8.369 -4.051 9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 120 5.981 -4.064 10.990 1.00 0.00 H new ATOM 0 HE3 LYS A 120 6.145 -5.804 10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 6.990 -4.999 12.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 8.255 -5.666 12.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 8.097 -3.981 12.180 1.00 0.00 H new ATOM 1862 N ASP A 121 3.593 -3.465 7.559 1.00 0.00 N ATOM 1863 CA ASP A 121 2.838 -2.219 7.589 1.00 0.00 C ATOM 1864 C ASP A 121 2.020 -2.047 6.313 1.00 0.00 C ATOM 1865 O ASP A 121 2.451 -2.444 5.230 1.00 0.00 O ATOM 1866 CB ASP A 121 3.783 -1.029 7.768 1.00 0.00 C ATOM 1867 CG ASP A 121 3.100 0.159 8.419 1.00 0.00 C ATOM 1868 OD1 ASP A 121 2.609 0.011 9.557 1.00 0.00 O ATOM 1869 OD2 ASP A 121 3.060 1.236 7.790 1.00 0.00 O ATOM 0 H ASP A 121 4.004 -3.687 6.652 1.00 0.00 H new ATOM 0 HA ASP A 121 2.152 -2.260 8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 121 4.635 -1.333 8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 121 4.176 -0.731 6.796 1.00 0.00 H new ATOM 1874 N VAL A 122 0.839 -1.454 6.448 1.00 0.00 N ATOM 1875 CA VAL A 122 -0.039 -1.229 5.305 1.00 0.00 C ATOM 1876 C VAL A 122 -0.711 0.137 5.388 1.00 0.00 C ATOM 1877 O VAL A 122 -1.572 0.367 6.237 1.00 0.00 O ATOM 1878 CB VAL A 122 -1.125 -2.317 5.210 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -2.262 -1.860 4.310 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -0.527 -3.623 4.707 1.00 0.00 C ATOM 0 H VAL A 122 0.467 -1.120 7.337 1.00 0.00 H new ATOM 0 HA VAL A 122 0.586 -1.270 4.413 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.531 -2.489 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.019 -2.642 4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.706 -0.952 4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.876 -1.658 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.308 -4.381 4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.094 -3.468 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.249 -3.957 5.395 1.00 0.00 H new ATOM 1890 N TYR A 123 -0.310 1.041 4.500 1.00 0.00 N ATOM 1891 CA TYR A 123 -0.873 2.386 4.474 1.00 0.00 C ATOM 1892 C TYR A 123 -1.339 2.754 3.068 1.00 0.00 C ATOM 1893 O TYR A 123 -1.073 2.033 2.105 1.00 0.00 O ATOM 1894 CB TYR A 123 0.161 3.402 4.962 1.00 0.00 C ATOM 1895 CG TYR A 123 1.567 3.114 4.485 1.00 0.00 C ATOM 1896 CD1 TYR A 123 2.310 2.078 5.037 1.00 0.00 C ATOM 1897 CD2 TYR A 123 2.152 3.878 3.483 1.00 0.00 C ATOM 1898 CE1 TYR A 123 3.594 1.812 4.605 1.00 0.00 C ATOM 1899 CE2 TYR A 123 3.436 3.617 3.043 1.00 0.00 C ATOM 1900 CZ TYR A 123 4.153 2.583 3.607 1.00 0.00 C ATOM 1901 OH TYR A 123 5.432 2.320 3.174 1.00 0.00 O ATOM 0 H TYR A 123 0.401 0.867 3.790 1.00 0.00 H new ATOM 0 HA TYR A 123 -1.736 2.405 5.140 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -0.132 4.396 4.624 1.00 0.00 H new ATOM 0 HB3 TYR A 123 0.153 3.421 6.052 1.00 0.00 H new ATOM 0 HD1 TYR A 123 1.876 1.470 5.817 1.00 0.00 H new ATOM 0 HD2 TYR A 123 1.594 4.690 3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.158 1.004 5.046 1.00 0.00 H new ATOM 0 HE2 TYR A 123 3.875 4.220 2.262 1.00 0.00 H new ATOM 0 HH TYR A 123 5.675 2.953 2.467 1.00 0.00 H new ATOM 1911 N ASP A 124 -2.035 3.879 2.959 1.00 0.00 N ATOM 1912 CA ASP A 124 -2.539 4.346 1.672 1.00 0.00 C ATOM 1913 C ASP A 124 -1.853 5.645 1.259 1.00 0.00 C ATOM 1914 O ASP A 124 -1.938 6.654 1.959 1.00 0.00 O ATOM 1915 CB ASP A 124 -4.053 4.552 1.738 1.00 0.00 C ATOM 1916 CG ASP A 124 -4.476 5.353 2.953 1.00 0.00 C ATOM 1917 OD1 ASP A 124 -3.603 5.679 3.783 1.00 0.00 O ATOM 1918 OD2 ASP A 124 -5.682 5.655 3.072 1.00 0.00 O ATOM 0 H ASP A 124 -2.264 4.486 3.746 1.00 0.00 H new ATOM 0 HA ASP A 124 -2.316 3.585 0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.387 5.063 0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.548 3.581 1.756 1.00 0.00 H new