USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=20 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 84 THR OG1 : rot 180:sc= -0.56 USER MOD Set 1.2: A 87 GLN : amide:sc= -0.0661 K(o=-0.63,f=-1.2) USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 110 MET CE :methyl -169:sc= -0.0293 (180deg=-0.244) USER MOD Set 3.1: A 16 THR OG1 : rot -92:sc= 1.19 USER MOD Set 3.2: A 39 GLN : amide:sc= -5.23! C(o=-4!,f=-6!) USER MOD Single : A 15 MET CE :methyl -179:sc= -3.74! (180deg=-3.84!) USER MOD Single : A 18 GLN : amide:sc= -3.66! C(o=-3.7!,f=-4.6!) USER MOD Single : A 21 CYS SG : rot 49:sc= -2.13 USER MOD Single : A 26 THR OG1 : rot 160:sc= -0.11 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 151:sc=-0.00784 (180deg=-0.948) USER MOD Single : A 43 MET CE :methyl -107:sc= -5.88! (180deg=-10.6!) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.768 X(o=-0.77,f=-0.72) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 75 HIS :FLIP no HE2:sc= -1.03 F(o=-2.6!,f=-1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.0339 USER MOD Single : A 90 GLN : amide:sc= -0.0988 K(o=-0.099,f=-2.5!) USER MOD Single : A 94 GLN : amide:sc=-0.00771 X(o=-0.0077,f=-0.0074) USER MOD Single : A 97 LYS NZ :NH3+ -144:sc= -0.0136 (180deg=-0.282) USER MOD Single : A 116 SER OG : rot 39:sc= 0.861 USER MOD Single : A 118 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc=-0.000112 (180deg=-0.000112) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 14 18.522 -19.351 6.045 1.00 0.00 N ATOM 172 CA ILE A 14 17.229 -18.728 5.794 1.00 0.00 C ATOM 173 C ILE A 14 17.389 -17.253 5.438 1.00 0.00 C ATOM 174 O ILE A 14 17.918 -16.469 6.225 1.00 0.00 O ATOM 175 CB ILE A 14 16.297 -18.851 7.015 1.00 0.00 C ATOM 176 CG1 ILE A 14 16.120 -20.321 7.401 1.00 0.00 C ATOM 177 CG2 ILE A 14 14.951 -18.208 6.722 1.00 0.00 C ATOM 178 CD1 ILE A 14 15.567 -20.516 8.796 1.00 0.00 C ATOM 0 HA ILE A 14 16.783 -19.257 4.952 1.00 0.00 H new ATOM 0 HB ILE A 14 16.751 -18.326 7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.453 -20.799 6.684 1.00 0.00 H new ATOM 0 HG13 ILE A 14 17.083 -20.827 7.326 1.00 0.00 H new ATOM 0 HG21 ILE A 14 14.305 -18.304 7.594 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.095 -17.153 6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.487 -18.706 5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.468 -21.582 9.002 1.00 0.00 H new ATOM 0 HD12 ILE A 14 16.245 -20.067 9.522 1.00 0.00 H new ATOM 0 HD13 ILE A 14 14.589 -20.039 8.870 1.00 0.00 H new ATOM 190 N MET A 15 16.927 -16.885 4.248 1.00 0.00 N ATOM 191 CA MET A 15 17.016 -15.503 3.788 1.00 0.00 C ATOM 192 C MET A 15 15.694 -14.772 4.003 1.00 0.00 C ATOM 193 O MET A 15 14.640 -15.234 3.566 1.00 0.00 O ATOM 194 CB MET A 15 17.403 -15.459 2.309 1.00 0.00 C ATOM 195 CG MET A 15 16.410 -16.166 1.401 1.00 0.00 C ATOM 196 SD MET A 15 17.138 -16.658 -0.175 1.00 0.00 S ATOM 197 CE MET A 15 15.804 -17.623 -0.877 1.00 0.00 C ATOM 0 H MET A 15 16.487 -17.523 3.585 1.00 0.00 H new ATOM 0 HA MET A 15 17.787 -15.001 4.372 1.00 0.00 H new ATOM 0 HB2 MET A 15 17.493 -14.419 1.996 1.00 0.00 H new ATOM 0 HB3 MET A 15 18.385 -15.915 2.185 1.00 0.00 H new ATOM 0 HG2 MET A 15 16.023 -17.049 1.910 1.00 0.00 H new ATOM 0 HG3 MET A 15 15.561 -15.508 1.215 1.00 0.00 H new ATOM 0 HE1 MET A 15 16.109 -18.013 -1.848 1.00 0.00 H new ATOM 0 HE2 MET A 15 15.566 -18.453 -0.212 1.00 0.00 H new ATOM 0 HE3 MET A 15 14.924 -16.992 -0.999 1.00 0.00 H new ATOM 207 N THR A 16 15.757 -13.630 4.680 1.00 0.00 N ATOM 208 CA THR A 16 14.566 -12.837 4.953 1.00 0.00 C ATOM 209 C THR A 16 14.174 -11.998 3.742 1.00 0.00 C ATOM 210 O THR A 16 14.904 -11.090 3.340 1.00 0.00 O ATOM 211 CB THR A 16 14.776 -11.906 6.162 1.00 0.00 C ATOM 212 OG1 THR A 16 15.118 -12.677 7.319 1.00 0.00 O ATOM 213 CG2 THR A 16 13.521 -11.091 6.442 1.00 0.00 C ATOM 0 H THR A 16 16.621 -13.234 5.049 1.00 0.00 H new ATOM 0 HA THR A 16 13.764 -13.540 5.180 1.00 0.00 H new ATOM 0 HB THR A 16 15.591 -11.220 5.928 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.303 -12.899 7.817 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.693 -10.441 7.300 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.279 -10.484 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.691 -11.764 6.657 1.00 0.00 H new ATOM 221 N LEU A 17 13.018 -12.304 3.164 1.00 0.00 N ATOM 222 CA LEU A 17 12.528 -11.576 1.999 1.00 0.00 C ATOM 223 C LEU A 17 11.133 -11.016 2.252 1.00 0.00 C ATOM 224 O LEU A 17 10.162 -11.766 2.350 1.00 0.00 O ATOM 225 CB LEU A 17 12.508 -12.492 0.773 1.00 0.00 C ATOM 226 CG LEU A 17 13.820 -13.206 0.447 1.00 0.00 C ATOM 227 CD1 LEU A 17 13.670 -14.051 -0.808 1.00 0.00 C ATOM 228 CD2 LEU A 17 14.949 -12.200 0.282 1.00 0.00 C ATOM 0 H LEU A 17 12.402 -13.052 3.483 1.00 0.00 H new ATOM 0 HA LEU A 17 13.204 -10.742 1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.734 -13.246 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.215 -11.899 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 17 14.068 -13.866 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.614 -14.552 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.891 -14.797 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.398 -13.411 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.875 -12.727 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.709 -11.514 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.073 -11.638 1.207 1.00 0.00 H new ATOM 240 N GLN A 18 11.041 -9.695 2.356 1.00 0.00 N ATOM 241 CA GLN A 18 9.763 -9.035 2.597 1.00 0.00 C ATOM 242 C GLN A 18 9.229 -8.399 1.318 1.00 0.00 C ATOM 243 O GLN A 18 9.603 -7.287 0.946 1.00 0.00 O ATOM 244 CB GLN A 18 9.912 -7.970 3.685 1.00 0.00 C ATOM 245 CG GLN A 18 11.243 -7.237 3.641 1.00 0.00 C ATOM 246 CD GLN A 18 12.388 -8.072 4.180 1.00 0.00 C ATOM 247 OE1 GLN A 18 13.233 -8.550 3.424 1.00 0.00 O ATOM 248 NE2 GLN A 18 12.422 -8.252 5.496 1.00 0.00 N ATOM 0 H GLN A 18 11.836 -9.060 2.277 1.00 0.00 H new ATOM 0 HA GLN A 18 9.051 -9.790 2.931 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.104 -7.245 3.585 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.798 -8.441 4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.461 -6.949 2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.166 -6.317 4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.701 -7.837 6.086 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.169 -8.805 5.916 1.00 0.00 H new ATOM 257 N PRO A 19 8.334 -9.121 0.627 1.00 0.00 N ATOM 258 CA PRO A 19 7.729 -8.648 -0.621 1.00 0.00 C ATOM 259 C PRO A 19 6.765 -7.488 -0.394 1.00 0.00 C ATOM 260 O PRO A 19 5.728 -7.647 0.249 1.00 0.00 O ATOM 261 CB PRO A 19 6.975 -9.876 -1.138 1.00 0.00 C ATOM 262 CG PRO A 19 6.686 -10.683 0.080 1.00 0.00 C ATOM 263 CD PRO A 19 7.843 -10.456 1.012 1.00 0.00 C ATOM 0 HA PRO A 19 8.476 -8.266 -1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.057 -9.590 -1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.577 -10.438 -1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.748 -10.373 0.540 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.586 -11.740 -0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.530 -10.483 2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.613 -11.218 0.890 1.00 0.00 H new ATOM 271 N ARG A 20 7.115 -6.321 -0.927 1.00 0.00 N ATOM 272 CA ARG A 20 6.281 -5.134 -0.782 1.00 0.00 C ATOM 273 C ARG A 20 5.545 -4.825 -2.082 1.00 0.00 C ATOM 274 O ARG A 20 5.958 -5.257 -3.159 1.00 0.00 O ATOM 275 CB ARG A 20 7.133 -3.934 -0.366 1.00 0.00 C ATOM 276 CG ARG A 20 8.194 -4.269 0.669 1.00 0.00 C ATOM 277 CD ARG A 20 9.142 -3.101 0.894 1.00 0.00 C ATOM 278 NE ARG A 20 10.247 -3.102 -0.061 1.00 0.00 N ATOM 279 CZ ARG A 20 11.394 -2.462 0.143 1.00 0.00 C ATOM 280 NH1 ARG A 20 11.584 -1.775 1.260 1.00 0.00 N ATOM 281 NH2 ARG A 20 12.353 -2.510 -0.773 1.00 0.00 N ATOM 0 H ARG A 20 7.970 -6.173 -1.463 1.00 0.00 H new ATOM 0 HA ARG A 20 5.542 -5.332 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.618 -3.520 -1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.481 -3.157 0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.714 -4.536 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.760 -5.141 0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.590 -2.165 0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.539 -3.146 1.908 1.00 0.00 H new ATOM 0 HE ARG A 20 10.132 -3.622 -0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.849 -1.736 1.966 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.465 -1.285 1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.210 -3.038 -1.634 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.233 -2.019 -0.616 1.00 0.00 H new ATOM 295 N CYS A 21 4.454 -4.075 -1.974 1.00 0.00 N ATOM 296 CA CYS A 21 3.660 -3.708 -3.142 1.00 0.00 C ATOM 297 C CYS A 21 3.095 -2.299 -2.994 1.00 0.00 C ATOM 298 O CYS A 21 2.184 -2.066 -2.200 1.00 0.00 O ATOM 299 CB CYS A 21 2.521 -4.708 -3.344 1.00 0.00 C ATOM 300 SG CYS A 21 1.361 -4.797 -1.960 1.00 0.00 S ATOM 0 H CYS A 21 4.099 -3.709 -1.091 1.00 0.00 H new ATOM 0 HA CYS A 21 4.312 -3.729 -4.015 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.972 -4.440 -4.247 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.946 -5.698 -3.512 1.00 0.00 H new ATOM 0 HG CYS A 21 0.997 -3.596 -1.621 1.00 0.00 H new ATOM 306 N GLU A 22 3.644 -1.363 -3.763 1.00 0.00 N ATOM 307 CA GLU A 22 3.196 0.022 -3.715 1.00 0.00 C ATOM 308 C GLU A 22 2.595 0.447 -5.052 1.00 0.00 C ATOM 309 O GLU A 22 2.919 -0.117 -6.098 1.00 0.00 O ATOM 310 CB GLU A 22 4.361 0.946 -3.351 1.00 0.00 C ATOM 311 CG GLU A 22 5.486 0.940 -4.373 1.00 0.00 C ATOM 312 CD GLU A 22 6.636 1.846 -3.979 1.00 0.00 C ATOM 313 OE1 GLU A 22 7.403 1.468 -3.069 1.00 0.00 O ATOM 314 OE2 GLU A 22 6.769 2.932 -4.582 1.00 0.00 O ATOM 0 H GLU A 22 4.399 -1.540 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 22 2.425 0.101 -2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.986 1.964 -3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.761 0.648 -2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.856 -0.078 -4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.095 1.255 -5.340 1.00 0.00 H new ATOM 321 N ASP A 23 1.719 1.444 -5.010 1.00 0.00 N ATOM 322 CA ASP A 23 1.073 1.945 -6.218 1.00 0.00 C ATOM 323 C ASP A 23 0.282 0.839 -6.910 1.00 0.00 C ATOM 324 O ASP A 23 0.350 0.682 -8.128 1.00 0.00 O ATOM 325 CB ASP A 23 2.114 2.521 -7.178 1.00 0.00 C ATOM 326 CG ASP A 23 2.393 3.988 -6.917 1.00 0.00 C ATOM 327 OD1 ASP A 23 1.439 4.791 -6.969 1.00 0.00 O ATOM 328 OD2 ASP A 23 3.567 4.333 -6.663 1.00 0.00 O ATOM 0 H ASP A 23 1.440 1.922 -4.153 1.00 0.00 H new ATOM 0 HA ASP A 23 0.381 2.736 -5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.041 1.956 -7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.766 2.397 -8.204 1.00 0.00 H new ATOM 333 N VAL A 24 -0.468 0.075 -6.123 1.00 0.00 N ATOM 334 CA VAL A 24 -1.273 -1.017 -6.660 1.00 0.00 C ATOM 335 C VAL A 24 -2.761 -0.761 -6.443 1.00 0.00 C ATOM 336 O VAL A 24 -3.263 -0.871 -5.326 1.00 0.00 O ATOM 337 CB VAL A 24 -0.896 -2.363 -6.012 1.00 0.00 C ATOM 338 CG1 VAL A 24 0.537 -2.738 -6.356 1.00 0.00 C ATOM 339 CG2 VAL A 24 -1.093 -2.302 -4.504 1.00 0.00 C ATOM 0 H VAL A 24 -0.535 0.191 -5.112 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.067 -1.066 -7.729 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.554 -3.135 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.786 -3.691 -5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.641 -2.825 -7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.213 -1.967 -5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.822 -3.261 -4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.461 -1.519 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.137 -2.083 -4.282 1.00 0.00 H new ATOM 349 N GLU A 25 -3.459 -0.419 -7.522 1.00 0.00 N ATOM 350 CA GLU A 25 -4.889 -0.147 -7.449 1.00 0.00 C ATOM 351 C GLU A 25 -5.657 -1.385 -6.995 1.00 0.00 C ATOM 352 O GLU A 25 -5.656 -2.414 -7.673 1.00 0.00 O ATOM 353 CB GLU A 25 -5.412 0.320 -8.810 1.00 0.00 C ATOM 354 CG GLU A 25 -4.686 1.538 -9.355 1.00 0.00 C ATOM 355 CD GLU A 25 -5.298 2.053 -10.644 1.00 0.00 C ATOM 356 OE1 GLU A 25 -5.399 1.267 -11.609 1.00 0.00 O ATOM 357 OE2 GLU A 25 -5.675 3.244 -10.686 1.00 0.00 O ATOM 0 H GLU A 25 -3.058 -0.324 -8.455 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.045 0.645 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.320 -0.497 -9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.474 0.549 -8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.702 2.331 -8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.640 1.285 -9.529 1.00 0.00 H new ATOM 364 N THR A 26 -6.310 -1.280 -5.843 1.00 0.00 N ATOM 365 CA THR A 26 -7.081 -2.391 -5.297 1.00 0.00 C ATOM 366 C THR A 26 -8.223 -2.779 -6.228 1.00 0.00 C ATOM 367 O THR A 26 -8.355 -2.235 -7.324 1.00 0.00 O ATOM 368 CB THR A 26 -7.658 -2.046 -3.911 1.00 0.00 C ATOM 369 OG1 THR A 26 -8.360 -0.800 -3.969 1.00 0.00 O ATOM 370 CG2 THR A 26 -6.552 -1.962 -2.870 1.00 0.00 C ATOM 0 H THR A 26 -6.321 -0.437 -5.269 1.00 0.00 H new ATOM 0 HA THR A 26 -6.396 -3.233 -5.198 1.00 0.00 H new ATOM 0 HB THR A 26 -8.348 -2.839 -3.622 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.979 -0.738 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.984 -1.717 -1.899 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.038 -2.921 -2.807 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.841 -1.187 -3.156 1.00 0.00 H new ATOM 378 N ALA A 27 -9.046 -3.723 -5.785 1.00 0.00 N ATOM 379 CA ALA A 27 -10.180 -4.182 -6.578 1.00 0.00 C ATOM 380 C ALA A 27 -11.037 -3.008 -7.043 1.00 0.00 C ATOM 381 O ALA A 27 -11.334 -2.877 -8.229 1.00 0.00 O ATOM 382 CB ALA A 27 -11.019 -5.167 -5.779 1.00 0.00 C ATOM 0 H ALA A 27 -8.949 -4.185 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.792 -4.687 -7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.862 -5.501 -6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.407 -6.026 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.390 -4.681 -4.877 1.00 0.00 H new ATOM 388 N GLU A 28 -11.430 -2.159 -6.097 1.00 0.00 N ATOM 389 CA GLU A 28 -12.254 -0.998 -6.411 1.00 0.00 C ATOM 390 C GLU A 28 -11.450 0.049 -7.178 1.00 0.00 C ATOM 391 O GLU A 28 -11.973 0.721 -8.065 1.00 0.00 O ATOM 392 CB GLU A 28 -12.818 -0.385 -5.128 1.00 0.00 C ATOM 393 CG GLU A 28 -11.896 0.639 -4.486 1.00 0.00 C ATOM 394 CD GLU A 28 -12.139 2.045 -5.000 1.00 0.00 C ATOM 395 OE1 GLU A 28 -11.672 2.358 -6.116 1.00 0.00 O ATOM 396 OE2 GLU A 28 -12.793 2.833 -4.286 1.00 0.00 O ATOM 0 H GLU A 28 -11.191 -2.254 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.080 -1.329 -7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.774 0.089 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.017 -1.182 -4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.036 0.622 -3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.860 0.360 -4.677 1.00 0.00 H new ATOM 403 N GLY A 29 -10.174 0.181 -6.825 1.00 0.00 N ATOM 404 CA GLY A 29 -9.319 1.148 -7.489 1.00 0.00 C ATOM 405 C GLY A 29 -8.629 2.078 -6.511 1.00 0.00 C ATOM 406 O GLY A 29 -8.678 3.299 -6.664 1.00 0.00 O ATOM 0 H GLY A 29 -9.718 -0.363 -6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.567 0.621 -8.077 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.915 1.736 -8.187 1.00 0.00 H new ATOM 410 N VAL A 30 -7.984 1.502 -5.501 1.00 0.00 N ATOM 411 CA VAL A 30 -7.282 2.288 -4.494 1.00 0.00 C ATOM 412 C VAL A 30 -5.831 1.838 -4.358 1.00 0.00 C ATOM 413 O VAL A 30 -5.556 0.723 -3.918 1.00 0.00 O ATOM 414 CB VAL A 30 -7.970 2.183 -3.120 1.00 0.00 C ATOM 415 CG1 VAL A 30 -7.206 2.984 -2.077 1.00 0.00 C ATOM 416 CG2 VAL A 30 -9.415 2.653 -3.211 1.00 0.00 C ATOM 0 H VAL A 30 -7.933 0.493 -5.359 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.308 3.325 -4.828 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.970 1.137 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.707 2.898 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.190 2.598 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.172 4.032 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.886 2.572 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.440 3.692 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.955 2.032 -3.926 1.00 0.00 H new ATOM 426 N ALA A 31 -4.908 2.715 -4.741 1.00 0.00 N ATOM 427 CA ALA A 31 -3.486 2.409 -4.661 1.00 0.00 C ATOM 428 C ALA A 31 -3.027 2.309 -3.209 1.00 0.00 C ATOM 429 O ALA A 31 -2.998 3.306 -2.486 1.00 0.00 O ATOM 430 CB ALA A 31 -2.676 3.464 -5.400 1.00 0.00 C ATOM 0 H ALA A 31 -5.120 3.642 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.321 1.442 -5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.615 3.222 -5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.977 3.486 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.855 4.441 -4.951 1.00 0.00 H new ATOM 436 N LEU A 32 -2.671 1.101 -2.788 1.00 0.00 N ATOM 437 CA LEU A 32 -2.213 0.870 -1.422 1.00 0.00 C ATOM 438 C LEU A 32 -0.749 0.445 -1.402 1.00 0.00 C ATOM 439 O LEU A 32 -0.187 0.065 -2.430 1.00 0.00 O ATOM 440 CB LEU A 32 -3.076 -0.199 -0.749 1.00 0.00 C ATOM 441 CG LEU A 32 -4.293 0.310 0.024 1.00 0.00 C ATOM 442 CD1 LEU A 32 -3.857 1.158 1.209 1.00 0.00 C ATOM 443 CD2 LEU A 32 -5.214 1.102 -0.892 1.00 0.00 C ATOM 0 H LEU A 32 -2.690 0.266 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.307 1.805 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.421 -0.894 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.447 -0.767 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.844 -0.550 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.737 1.511 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.239 0.559 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.282 2.013 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.075 1.456 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.674 1.955 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.555 0.463 -1.707 1.00 0.00 H new ATOM 455 N THR A 33 -0.135 0.510 -0.225 1.00 0.00 N ATOM 456 CA THR A 33 1.264 0.131 -0.070 1.00 0.00 C ATOM 457 C THR A 33 1.443 -0.854 1.079 1.00 0.00 C ATOM 458 O THR A 33 1.450 -0.465 2.248 1.00 0.00 O ATOM 459 CB THR A 33 2.154 1.362 0.180 1.00 0.00 C ATOM 460 OG1 THR A 33 1.799 2.416 -0.722 1.00 0.00 O ATOM 461 CG2 THR A 33 3.624 1.011 0.003 1.00 0.00 C ATOM 0 H THR A 33 -0.585 0.822 0.636 1.00 0.00 H new ATOM 0 HA THR A 33 1.568 -0.345 -1.002 1.00 0.00 H new ATOM 0 HB THR A 33 1.996 1.694 1.206 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.369 3.196 -0.555 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.234 1.896 0.185 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.899 0.229 0.711 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.793 0.656 -1.014 1.00 0.00 H new ATOM 469 N VAL A 34 1.589 -2.132 0.742 1.00 0.00 N ATOM 470 CA VAL A 34 1.770 -3.171 1.747 1.00 0.00 C ATOM 471 C VAL A 34 3.181 -3.748 1.693 1.00 0.00 C ATOM 472 O VAL A 34 3.531 -4.479 0.766 1.00 0.00 O ATOM 473 CB VAL A 34 0.754 -4.315 1.560 1.00 0.00 C ATOM 474 CG1 VAL A 34 0.931 -5.368 2.643 1.00 0.00 C ATOM 475 CG2 VAL A 34 -0.667 -3.769 1.564 1.00 0.00 C ATOM 0 H VAL A 34 1.585 -2.472 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 34 1.607 -2.704 2.718 1.00 0.00 H new ATOM 0 HB VAL A 34 0.936 -4.787 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.205 -6.168 2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.939 -5.779 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.775 -4.913 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.372 -4.589 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.863 -3.272 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.784 -3.054 0.750 1.00 0.00 H new ATOM 485 N THR A 35 3.989 -3.413 2.694 1.00 0.00 N ATOM 486 CA THR A 35 5.362 -3.896 2.762 1.00 0.00 C ATOM 487 C THR A 35 5.412 -5.420 2.741 1.00 0.00 C ATOM 488 O THR A 35 6.172 -6.016 1.980 1.00 0.00 O ATOM 489 CB THR A 35 6.075 -3.388 4.029 1.00 0.00 C ATOM 490 OG1 THR A 35 6.147 -1.958 4.011 1.00 0.00 O ATOM 491 CG2 THR A 35 7.476 -3.971 4.133 1.00 0.00 C ATOM 0 H THR A 35 3.716 -2.809 3.469 1.00 0.00 H new ATOM 0 HA THR A 35 5.877 -3.506 1.884 1.00 0.00 H new ATOM 0 HB THR A 35 5.500 -3.711 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.600 -1.643 4.821 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.959 -3.598 5.036 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.415 -5.058 4.177 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.059 -3.675 3.261 1.00 0.00 H new ATOM 499 N GLY A 36 4.593 -6.045 3.583 1.00 0.00 N ATOM 500 CA GLY A 36 4.559 -7.494 3.644 1.00 0.00 C ATOM 501 C GLY A 36 5.884 -8.088 4.081 1.00 0.00 C ATOM 502 O GLY A 36 6.947 -7.627 3.665 1.00 0.00 O ATOM 0 H GLY A 36 3.954 -5.574 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.778 -7.807 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.293 -7.890 2.664 1.00 0.00 H new ATOM 506 N VAL A 37 5.822 -9.113 4.926 1.00 0.00 N ATOM 507 CA VAL A 37 7.026 -9.770 5.421 1.00 0.00 C ATOM 508 C VAL A 37 6.859 -11.285 5.436 1.00 0.00 C ATOM 509 O VAL A 37 5.782 -11.797 5.742 1.00 0.00 O ATOM 510 CB VAL A 37 7.384 -9.289 6.840 1.00 0.00 C ATOM 511 CG1 VAL A 37 8.346 -10.262 7.506 1.00 0.00 C ATOM 512 CG2 VAL A 37 7.977 -7.888 6.794 1.00 0.00 C ATOM 0 H VAL A 37 4.951 -9.506 5.282 1.00 0.00 H new ATOM 0 HA VAL A 37 7.835 -9.504 4.740 1.00 0.00 H new ATOM 0 HB VAL A 37 6.471 -9.253 7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.588 -9.906 8.508 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.881 -11.245 7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.259 -10.332 6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.224 -7.564 7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.881 -7.895 6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.252 -7.200 6.360 1.00 0.00 H new ATOM 522 N ALA A 38 7.931 -11.996 5.106 1.00 0.00 N ATOM 523 CA ALA A 38 7.904 -13.454 5.085 1.00 0.00 C ATOM 524 C ALA A 38 9.312 -14.030 5.175 1.00 0.00 C ATOM 525 O ALA A 38 10.298 -13.312 5.009 1.00 0.00 O ATOM 526 CB ALA A 38 7.208 -13.949 3.825 1.00 0.00 C ATOM 0 H ALA A 38 8.829 -11.587 4.849 1.00 0.00 H new ATOM 0 HA ALA A 38 7.344 -13.796 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.194 -15.039 3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.185 -13.573 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.746 -13.590 2.947 1.00 0.00 H new ATOM 532 N GLN A 39 9.399 -15.330 5.440 1.00 0.00 N ATOM 533 CA GLN A 39 10.688 -16.002 5.554 1.00 0.00 C ATOM 534 C GLN A 39 10.845 -17.066 4.474 1.00 0.00 C ATOM 535 O GLN A 39 9.875 -17.718 4.084 1.00 0.00 O ATOM 536 CB GLN A 39 10.834 -16.638 6.939 1.00 0.00 C ATOM 537 CG GLN A 39 11.512 -15.732 7.955 1.00 0.00 C ATOM 538 CD GLN A 39 12.689 -14.977 7.371 1.00 0.00 C ATOM 539 OE1 GLN A 39 12.869 -13.787 7.633 1.00 0.00 O ATOM 540 NE2 GLN A 39 13.498 -15.665 6.576 1.00 0.00 N ATOM 0 H GLN A 39 8.592 -15.938 5.580 1.00 0.00 H new ATOM 0 HA GLN A 39 11.471 -15.256 5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.846 -16.912 7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.407 -17.561 6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.784 -15.019 8.343 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.853 -16.331 8.800 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.311 -16.650 6.386 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.307 -15.209 6.154 1.00 0.00 H new ATOM 549 N VAL A 40 12.071 -17.237 3.993 1.00 0.00 N ATOM 550 CA VAL A 40 12.356 -18.223 2.957 1.00 0.00 C ATOM 551 C VAL A 40 13.761 -18.793 3.111 1.00 0.00 C ATOM 552 O VAL A 40 14.628 -18.179 3.736 1.00 0.00 O ATOM 553 CB VAL A 40 12.212 -17.616 1.549 1.00 0.00 C ATOM 554 CG1 VAL A 40 13.321 -16.609 1.286 1.00 0.00 C ATOM 555 CG2 VAL A 40 12.214 -18.712 0.494 1.00 0.00 C ATOM 0 H VAL A 40 12.884 -16.705 4.304 1.00 0.00 H new ATOM 0 HA VAL A 40 11.627 -19.025 3.075 1.00 0.00 H new ATOM 0 HB VAL A 40 11.258 -17.092 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.203 -16.191 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.268 -15.808 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.288 -17.106 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.111 -18.265 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.151 -19.266 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.381 -19.391 0.673 1.00 0.00 H new ATOM 565 N LYS A 41 13.983 -19.971 2.539 1.00 0.00 N ATOM 566 CA LYS A 41 15.284 -20.625 2.610 1.00 0.00 C ATOM 567 C LYS A 41 15.556 -21.436 1.347 1.00 0.00 C ATOM 568 O LYS A 41 14.634 -21.769 0.602 1.00 0.00 O ATOM 569 CB LYS A 41 15.353 -21.536 3.838 1.00 0.00 C ATOM 570 CG LYS A 41 14.166 -22.475 3.966 1.00 0.00 C ATOM 571 CD LYS A 41 14.119 -23.130 5.337 1.00 0.00 C ATOM 572 CE LYS A 41 14.905 -24.431 5.361 1.00 0.00 C ATOM 573 NZ LYS A 41 16.367 -24.193 5.517 1.00 0.00 N ATOM 0 H LYS A 41 13.277 -20.493 2.020 1.00 0.00 H new ATOM 0 HA LYS A 41 16.047 -19.851 2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.269 -22.126 3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.416 -20.919 4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.243 -21.922 3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.225 -23.244 3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.524 -22.445 6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.083 -23.325 5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.549 -25.055 6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.723 -24.982 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.801 -25.003 6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.802 -24.080 4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.520 -23.330 6.076 1.00 0.00 H new ATOM 587 N ILE A 42 16.825 -21.750 1.113 1.00 0.00 N ATOM 588 CA ILE A 42 17.217 -22.523 -0.058 1.00 0.00 C ATOM 589 C ILE A 42 17.232 -24.017 0.249 1.00 0.00 C ATOM 590 O ILE A 42 18.229 -24.551 0.733 1.00 0.00 O ATOM 591 CB ILE A 42 18.607 -22.102 -0.573 1.00 0.00 C ATOM 592 CG1 ILE A 42 18.603 -20.623 -0.965 1.00 0.00 C ATOM 593 CG2 ILE A 42 19.018 -22.967 -1.755 1.00 0.00 C ATOM 594 CD1 ILE A 42 17.530 -20.267 -1.970 1.00 0.00 C ATOM 0 H ILE A 42 17.600 -21.481 1.719 1.00 0.00 H new ATOM 0 HA ILE A 42 16.476 -22.320 -0.831 1.00 0.00 H new ATOM 0 HB ILE A 42 19.333 -22.245 0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.465 -20.018 -0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.577 -20.362 -1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 42 20.002 -22.658 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 42 19.055 -24.012 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.292 -22.853 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 42 17.587 -19.203 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.679 -20.845 -2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.550 -20.496 -1.552 1.00 0.00 H new ATOM 606 N MET A 43 16.120 -24.686 -0.040 1.00 0.00 N ATOM 607 CA MET A 43 16.008 -26.119 0.202 1.00 0.00 C ATOM 608 C MET A 43 17.344 -26.817 -0.028 1.00 0.00 C ATOM 609 O MET A 43 18.084 -26.476 -0.952 1.00 0.00 O ATOM 610 CB MET A 43 14.937 -26.730 -0.705 1.00 0.00 C ATOM 611 CG MET A 43 13.553 -26.758 -0.078 1.00 0.00 C ATOM 612 SD MET A 43 12.309 -27.465 -1.175 1.00 0.00 S ATOM 613 CE MET A 43 11.377 -26.000 -1.619 1.00 0.00 C ATOM 0 H MET A 43 15.285 -24.259 -0.441 1.00 0.00 H new ATOM 0 HA MET A 43 15.718 -26.263 1.243 1.00 0.00 H new ATOM 0 HB2 MET A 43 14.894 -26.163 -1.635 1.00 0.00 H new ATOM 0 HB3 MET A 43 15.230 -27.747 -0.965 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.588 -27.336 0.846 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.260 -25.743 0.192 1.00 0.00 H new ATOM 0 HE1 MET A 43 10.412 -26.015 -1.112 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.931 -25.111 -1.317 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.220 -25.981 -2.698 1.00 0.00 H new ATOM 737 N VAL A 51 18.327 -28.846 -9.999 1.00 0.00 N ATOM 738 CA VAL A 51 17.260 -27.934 -10.395 1.00 0.00 C ATOM 739 C VAL A 51 17.585 -26.500 -9.992 1.00 0.00 C ATOM 740 O VAL A 51 17.491 -25.580 -10.804 1.00 0.00 O ATOM 741 CB VAL A 51 15.913 -28.339 -9.769 1.00 0.00 C ATOM 742 CG1 VAL A 51 16.033 -28.426 -8.255 1.00 0.00 C ATOM 743 CG2 VAL A 51 14.822 -27.358 -10.169 1.00 0.00 C ATOM 0 HA VAL A 51 17.180 -27.994 -11.480 1.00 0.00 H new ATOM 0 HB VAL A 51 15.639 -29.324 -10.146 1.00 0.00 H new ATOM 0 HG11 VAL A 51 15.071 -28.713 -7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.784 -29.171 -7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 51 16.330 -27.456 -7.857 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.877 -27.660 -9.717 1.00 0.00 H new ATOM 0 HG22 VAL A 51 15.086 -26.359 -9.823 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.719 -27.351 -11.254 1.00 0.00 H new ATOM 753 N ALA A 52 17.968 -26.317 -8.733 1.00 0.00 N ATOM 754 CA ALA A 52 18.309 -24.995 -8.222 1.00 0.00 C ATOM 755 C ALA A 52 19.809 -24.870 -7.983 1.00 0.00 C ATOM 756 O ALA A 52 20.352 -23.765 -7.948 1.00 0.00 O ATOM 757 CB ALA A 52 17.542 -24.711 -6.939 1.00 0.00 C ATOM 0 H ALA A 52 18.050 -27.068 -8.048 1.00 0.00 H new ATOM 0 HA ALA A 52 18.025 -24.258 -8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.806 -23.721 -6.569 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.471 -24.750 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.798 -25.459 -6.189 1.00 0.00 H new ATOM 763 N CYS A 53 20.475 -26.008 -7.818 1.00 0.00 N ATOM 764 CA CYS A 53 21.914 -26.025 -7.579 1.00 0.00 C ATOM 765 C CYS A 53 22.643 -25.153 -8.597 1.00 0.00 C ATOM 766 O CYS A 53 23.312 -24.186 -8.233 1.00 0.00 O ATOM 767 CB CYS A 53 22.445 -27.458 -7.643 1.00 0.00 C ATOM 768 SG CYS A 53 23.879 -27.760 -6.585 1.00 0.00 S ATOM 0 H CYS A 53 20.041 -26.931 -7.845 1.00 0.00 H new ATOM 0 HA CYS A 53 22.098 -25.622 -6.583 1.00 0.00 H new ATOM 0 HB2 CYS A 53 21.646 -28.143 -7.359 1.00 0.00 H new ATOM 0 HB3 CYS A 53 22.712 -27.690 -8.674 1.00 0.00 H new ATOM 0 HG CYS A 53 24.254 -28.999 -6.705 1.00 0.00 H new ATOM 774 N GLU A 54 22.511 -25.503 -9.872 1.00 0.00 N ATOM 775 CA GLU A 54 23.160 -24.753 -10.941 1.00 0.00 C ATOM 776 C GLU A 54 22.472 -23.410 -11.158 1.00 0.00 C ATOM 777 O GLU A 54 23.118 -22.416 -11.490 1.00 0.00 O ATOM 778 CB GLU A 54 23.147 -25.560 -12.241 1.00 0.00 C ATOM 779 CG GLU A 54 23.916 -24.902 -13.374 1.00 0.00 C ATOM 780 CD GLU A 54 24.505 -25.910 -14.342 1.00 0.00 C ATOM 781 OE1 GLU A 54 25.143 -26.877 -13.878 1.00 0.00 O ATOM 782 OE2 GLU A 54 24.327 -25.730 -15.565 1.00 0.00 O ATOM 0 H GLU A 54 21.961 -26.301 -10.190 1.00 0.00 H new ATOM 0 HA GLU A 54 24.193 -24.569 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 54 23.570 -26.546 -12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 54 22.114 -25.712 -12.554 1.00 0.00 H new ATOM 0 HG2 GLU A 54 23.252 -24.229 -13.916 1.00 0.00 H new ATOM 0 HG3 GLU A 54 24.718 -24.292 -12.958 1.00 0.00 H new ATOM 789 N GLN A 55 21.156 -23.386 -10.968 1.00 0.00 N ATOM 790 CA GLN A 55 20.380 -22.164 -11.143 1.00 0.00 C ATOM 791 C GLN A 55 20.889 -21.059 -10.223 1.00 0.00 C ATOM 792 O GLN A 55 20.741 -19.874 -10.519 1.00 0.00 O ATOM 793 CB GLN A 55 18.899 -22.432 -10.869 1.00 0.00 C ATOM 794 CG GLN A 55 17.991 -21.278 -11.261 1.00 0.00 C ATOM 795 CD GLN A 55 16.529 -21.681 -11.320 1.00 0.00 C ATOM 796 OE1 GLN A 55 15.936 -21.748 -12.397 1.00 0.00 O ATOM 797 NE2 GLN A 55 15.942 -21.950 -10.160 1.00 0.00 N ATOM 0 H GLN A 55 20.605 -24.199 -10.693 1.00 0.00 H new ATOM 0 HA GLN A 55 20.497 -21.834 -12.175 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.593 -23.326 -11.413 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.767 -22.644 -9.808 1.00 0.00 H new ATOM 0 HG2 GLN A 55 18.112 -20.466 -10.544 1.00 0.00 H new ATOM 0 HG3 GLN A 55 18.298 -20.893 -12.234 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.473 -21.881 -9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.960 -22.225 -10.137 1.00 0.00 H new ATOM 806 N PHE A 56 21.488 -21.456 -9.105 1.00 0.00 N ATOM 807 CA PHE A 56 22.017 -20.499 -8.141 1.00 0.00 C ATOM 808 C PHE A 56 23.538 -20.420 -8.231 1.00 0.00 C ATOM 809 O PHE A 56 24.110 -19.335 -8.334 1.00 0.00 O ATOM 810 CB PHE A 56 21.599 -20.890 -6.721 1.00 0.00 C ATOM 811 CG PHE A 56 20.111 -20.888 -6.513 1.00 0.00 C ATOM 812 CD1 PHE A 56 19.323 -19.888 -7.060 1.00 0.00 C ATOM 813 CD2 PHE A 56 19.501 -21.885 -5.769 1.00 0.00 C ATOM 814 CE1 PHE A 56 17.954 -19.883 -6.870 1.00 0.00 C ATOM 815 CE2 PHE A 56 18.132 -21.886 -5.577 1.00 0.00 C ATOM 816 CZ PHE A 56 17.358 -20.884 -6.127 1.00 0.00 C ATOM 0 H PHE A 56 21.619 -22.433 -8.845 1.00 0.00 H new ATOM 0 HA PHE A 56 21.605 -19.518 -8.377 1.00 0.00 H new ATOM 0 HB2 PHE A 56 21.988 -21.883 -6.497 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.058 -20.200 -6.013 1.00 0.00 H new ATOM 0 HD1 PHE A 56 19.784 -19.103 -7.642 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.102 -22.670 -5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 56 17.351 -19.098 -7.302 1.00 0.00 H new ATOM 0 HE2 PHE A 56 17.668 -22.670 -4.997 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.288 -20.882 -5.977 1.00 0.00 H new ATOM 904 N GLN A 62 22.549 -11.903 -3.805 1.00 0.00 N ATOM 905 CA GLN A 62 21.532 -10.936 -4.203 1.00 0.00 C ATOM 906 C GLN A 62 20.680 -11.481 -5.344 1.00 0.00 C ATOM 907 O GLN A 62 19.455 -11.364 -5.327 1.00 0.00 O ATOM 908 CB GLN A 62 22.188 -9.619 -4.624 1.00 0.00 C ATOM 909 CG GLN A 62 23.367 -9.801 -5.565 1.00 0.00 C ATOM 910 CD GLN A 62 23.971 -8.482 -6.006 1.00 0.00 C ATOM 911 OE1 GLN A 62 24.893 -7.965 -5.373 1.00 0.00 O ATOM 912 NE2 GLN A 62 23.453 -7.929 -7.096 1.00 0.00 N ATOM 0 HA GLN A 62 20.884 -10.753 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.441 -8.989 -5.108 1.00 0.00 H new ATOM 0 HB3 GLN A 62 22.523 -9.089 -3.733 1.00 0.00 H new ATOM 0 HG2 GLN A 62 24.132 -10.399 -5.071 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.043 -10.360 -6.443 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.690 -8.392 -7.589 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.818 -7.041 -7.440 1.00 0.00 H new ATOM 921 N ASP A 63 21.337 -12.075 -6.334 1.00 0.00 N ATOM 922 CA ASP A 63 20.639 -12.638 -7.484 1.00 0.00 C ATOM 923 C ASP A 63 19.529 -13.585 -7.036 1.00 0.00 C ATOM 924 O ASP A 63 18.392 -13.486 -7.497 1.00 0.00 O ATOM 925 CB ASP A 63 21.622 -13.378 -8.393 1.00 0.00 C ATOM 926 CG ASP A 63 21.073 -13.588 -9.790 1.00 0.00 C ATOM 927 OD1 ASP A 63 19.946 -14.110 -9.912 1.00 0.00 O ATOM 928 OD2 ASP A 63 21.772 -13.232 -10.762 1.00 0.00 O ATOM 0 H ASP A 63 22.351 -12.179 -6.363 1.00 0.00 H new ATOM 0 HA ASP A 63 20.189 -11.817 -8.042 1.00 0.00 H new ATOM 0 HB2 ASP A 63 22.553 -12.814 -8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 63 21.863 -14.345 -7.951 1.00 0.00 H new ATOM 933 N ILE A 64 19.869 -14.502 -6.137 1.00 0.00 N ATOM 934 CA ILE A 64 18.903 -15.467 -5.627 1.00 0.00 C ATOM 935 C ILE A 64 17.787 -14.770 -4.854 1.00 0.00 C ATOM 936 O ILE A 64 16.624 -14.798 -5.258 1.00 0.00 O ATOM 937 CB ILE A 64 19.574 -16.507 -4.712 1.00 0.00 C ATOM 938 CG1 ILE A 64 20.616 -17.310 -5.494 1.00 0.00 C ATOM 939 CG2 ILE A 64 18.529 -17.432 -4.107 1.00 0.00 C ATOM 940 CD1 ILE A 64 21.946 -16.604 -5.628 1.00 0.00 C ATOM 0 H ILE A 64 20.807 -14.597 -5.747 1.00 0.00 H new ATOM 0 HA ILE A 64 18.480 -15.977 -6.492 1.00 0.00 H new ATOM 0 HB ILE A 64 20.080 -15.983 -3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 64 20.771 -18.269 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 64 20.226 -17.525 -6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.019 -18.162 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 64 17.821 -16.847 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 64 17.997 -17.951 -4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 64 22.635 -17.231 -6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 64 21.805 -15.658 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 64 22.358 -16.413 -4.637 1.00 0.00 H new ATOM 952 N LYS A 65 18.149 -14.144 -3.740 1.00 0.00 N ATOM 953 CA LYS A 65 17.181 -13.437 -2.910 1.00 0.00 C ATOM 954 C LYS A 65 16.129 -12.746 -3.771 1.00 0.00 C ATOM 955 O LYS A 65 14.945 -12.742 -3.436 1.00 0.00 O ATOM 956 CB LYS A 65 17.891 -12.408 -2.027 1.00 0.00 C ATOM 957 CG LYS A 65 18.636 -13.022 -0.855 1.00 0.00 C ATOM 958 CD LYS A 65 19.115 -11.959 0.120 1.00 0.00 C ATOM 959 CE LYS A 65 17.991 -11.490 1.030 1.00 0.00 C ATOM 960 NZ LYS A 65 18.509 -10.900 2.295 1.00 0.00 N ATOM 0 H LYS A 65 19.107 -14.112 -3.391 1.00 0.00 H new ATOM 0 HA LYS A 65 16.681 -14.168 -2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.595 -11.842 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.156 -11.698 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 65 17.984 -13.725 -0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 65 19.490 -13.591 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.930 -12.358 0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.515 -11.109 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.385 -10.751 0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.338 -12.331 1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.711 -10.593 2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 19.066 -11.613 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 19.112 -10.082 2.075 1.00 0.00 H new ATOM 974 N ASN A 66 16.569 -12.163 -4.881 1.00 0.00 N ATOM 975 CA ASN A 66 15.664 -11.469 -5.790 1.00 0.00 C ATOM 976 C ASN A 66 14.733 -12.456 -6.489 1.00 0.00 C ATOM 977 O ASN A 66 13.511 -12.362 -6.372 1.00 0.00 O ATOM 978 CB ASN A 66 16.460 -10.678 -6.830 1.00 0.00 C ATOM 979 CG ASN A 66 17.218 -9.517 -6.216 1.00 0.00 C ATOM 980 OD1 ASN A 66 16.713 -8.832 -5.327 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.437 -9.289 -6.691 1.00 0.00 N ATOM 0 H ASN A 66 17.546 -12.157 -5.173 1.00 0.00 H new ATOM 0 HA ASN A 66 15.058 -10.778 -5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.163 -11.344 -7.329 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.780 -10.301 -7.594 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.994 -8.520 -6.318 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.816 -9.883 -7.429 1.00 0.00 H new ATOM 988 N VAL A 67 15.319 -13.401 -7.216 1.00 0.00 N ATOM 989 CA VAL A 67 14.543 -14.407 -7.933 1.00 0.00 C ATOM 990 C VAL A 67 13.384 -14.915 -7.083 1.00 0.00 C ATOM 991 O VAL A 67 12.233 -14.912 -7.519 1.00 0.00 O ATOM 992 CB VAL A 67 15.422 -15.601 -8.349 1.00 0.00 C ATOM 993 CG1 VAL A 67 14.605 -16.616 -9.136 1.00 0.00 C ATOM 994 CG2 VAL A 67 16.619 -15.126 -9.159 1.00 0.00 C ATOM 0 H VAL A 67 16.329 -13.492 -7.325 1.00 0.00 H new ATOM 0 HA VAL A 67 14.149 -13.925 -8.828 1.00 0.00 H new ATOM 0 HB VAL A 67 15.793 -16.088 -7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.242 -17.453 -9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.784 -16.980 -8.518 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.203 -16.143 -10.032 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.229 -15.983 -9.444 1.00 0.00 H new ATOM 0 HG22 VAL A 67 16.271 -14.614 -10.056 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.216 -14.440 -8.558 1.00 0.00 H new ATOM 1004 N VAL A 68 13.696 -15.349 -5.866 1.00 0.00 N ATOM 1005 CA VAL A 68 12.679 -15.859 -4.953 1.00 0.00 C ATOM 1006 C VAL A 68 11.696 -14.763 -4.559 1.00 0.00 C ATOM 1007 O VAL A 68 10.487 -14.898 -4.752 1.00 0.00 O ATOM 1008 CB VAL A 68 13.314 -16.447 -3.678 1.00 0.00 C ATOM 1009 CG1 VAL A 68 12.241 -17.009 -2.758 1.00 0.00 C ATOM 1010 CG2 VAL A 68 14.334 -17.517 -4.037 1.00 0.00 C ATOM 0 H VAL A 68 14.644 -15.358 -5.489 1.00 0.00 H new ATOM 0 HA VAL A 68 12.145 -16.649 -5.482 1.00 0.00 H new ATOM 0 HB VAL A 68 13.831 -15.647 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.708 -17.420 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.551 -16.214 -2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.694 -17.797 -3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.773 -17.922 -3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.842 -18.318 -4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.119 -17.079 -4.654 1.00 0.00 H new ATOM 1020 N LEU A 69 12.221 -13.676 -4.004 1.00 0.00 N ATOM 1021 CA LEU A 69 11.389 -12.554 -3.581 1.00 0.00 C ATOM 1022 C LEU A 69 10.378 -12.189 -4.663 1.00 0.00 C ATOM 1023 O LEU A 69 9.231 -11.855 -4.367 1.00 0.00 O ATOM 1024 CB LEU A 69 12.262 -11.342 -3.253 1.00 0.00 C ATOM 1025 CG LEU A 69 11.592 -9.975 -3.394 1.00 0.00 C ATOM 1026 CD1 LEU A 69 10.569 -9.765 -2.290 1.00 0.00 C ATOM 1027 CD2 LEU A 69 12.634 -8.866 -3.376 1.00 0.00 C ATOM 0 H LEU A 69 13.219 -13.547 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 69 10.844 -12.854 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.621 -11.444 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.138 -11.364 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 69 11.073 -9.944 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.103 -8.787 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.805 -10.540 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.064 -9.817 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.139 -7.900 -3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.181 -8.896 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.329 -9.006 -4.204 1.00 0.00 H new ATOM 1039 N GLN A 70 10.812 -12.256 -5.918 1.00 0.00 N ATOM 1040 CA GLN A 70 9.943 -11.933 -7.044 1.00 0.00 C ATOM 1041 C GLN A 70 8.659 -12.754 -6.994 1.00 0.00 C ATOM 1042 O GLN A 70 7.560 -12.205 -6.908 1.00 0.00 O ATOM 1043 CB GLN A 70 10.672 -12.184 -8.365 1.00 0.00 C ATOM 1044 CG GLN A 70 11.695 -11.113 -8.709 1.00 0.00 C ATOM 1045 CD GLN A 70 12.274 -11.283 -10.100 1.00 0.00 C ATOM 1046 OE1 GLN A 70 12.047 -12.298 -10.758 1.00 0.00 O ATOM 1047 NE2 GLN A 70 13.026 -10.288 -10.553 1.00 0.00 N ATOM 0 H GLN A 70 11.759 -12.531 -6.180 1.00 0.00 H new ATOM 0 HA GLN A 70 9.680 -10.877 -6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.173 -13.151 -8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.939 -12.246 -9.169 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.227 -10.131 -8.632 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.503 -11.140 -7.978 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.187 -9.465 -9.972 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.443 -10.346 -11.482 1.00 0.00 H new ATOM 1056 N THR A 71 8.805 -14.074 -7.050 1.00 0.00 N ATOM 1057 CA THR A 71 7.657 -14.972 -7.013 1.00 0.00 C ATOM 1058 C THR A 71 6.601 -14.474 -6.032 1.00 0.00 C ATOM 1059 O THR A 71 5.444 -14.270 -6.402 1.00 0.00 O ATOM 1060 CB THR A 71 8.074 -16.401 -6.618 1.00 0.00 C ATOM 1061 OG1 THR A 71 9.034 -16.907 -7.551 1.00 0.00 O ATOM 1062 CG2 THR A 71 6.865 -17.325 -6.575 1.00 0.00 C ATOM 0 H THR A 71 9.707 -14.545 -7.121 1.00 0.00 H new ATOM 0 HA THR A 71 7.236 -14.989 -8.018 1.00 0.00 H new ATOM 0 HB THR A 71 8.519 -16.364 -5.624 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.295 -17.815 -7.292 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.184 -18.329 -6.294 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.149 -16.953 -5.842 1.00 0.00 H new ATOM 0 HG23 THR A 71 6.395 -17.356 -7.558 1.00 0.00 H new ATOM 1070 N LEU A 72 7.005 -14.278 -4.782 1.00 0.00 N ATOM 1071 CA LEU A 72 6.094 -13.803 -3.748 1.00 0.00 C ATOM 1072 C LEU A 72 5.586 -12.401 -4.073 1.00 0.00 C ATOM 1073 O LEU A 72 4.382 -12.180 -4.191 1.00 0.00 O ATOM 1074 CB LEU A 72 6.791 -13.803 -2.387 1.00 0.00 C ATOM 1075 CG LEU A 72 7.417 -15.129 -1.953 1.00 0.00 C ATOM 1076 CD1 LEU A 72 8.405 -14.908 -0.818 1.00 0.00 C ATOM 1077 CD2 LEU A 72 6.336 -16.117 -1.536 1.00 0.00 C ATOM 0 H LEU A 72 7.959 -14.441 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 72 5.240 -14.480 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.572 -13.043 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.067 -13.501 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 72 7.958 -15.548 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.840 -15.863 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.196 -14.236 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.888 -14.466 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.799 -17.055 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.768 -15.704 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.666 -16.300 -2.376 1.00 0.00 H new ATOM 1089 N GLU A 73 6.514 -11.460 -4.217 1.00 0.00 N ATOM 1090 CA GLU A 73 6.159 -10.080 -4.530 1.00 0.00 C ATOM 1091 C GLU A 73 5.013 -10.028 -5.535 1.00 0.00 C ATOM 1092 O GLU A 73 3.933 -9.520 -5.237 1.00 0.00 O ATOM 1093 CB GLU A 73 7.373 -9.332 -5.083 1.00 0.00 C ATOM 1094 CG GLU A 73 7.399 -7.858 -4.713 1.00 0.00 C ATOM 1095 CD GLU A 73 8.109 -7.009 -5.750 1.00 0.00 C ATOM 1096 OE1 GLU A 73 9.352 -6.903 -5.679 1.00 0.00 O ATOM 1097 OE2 GLU A 73 7.423 -6.450 -6.631 1.00 0.00 O ATOM 0 H GLU A 73 7.516 -11.627 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 73 5.833 -9.597 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.282 -9.807 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.384 -9.426 -6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.377 -7.499 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.894 -7.738 -3.749 1.00 0.00 H new ATOM 1104 N GLY A 74 5.257 -10.558 -6.731 1.00 0.00 N ATOM 1105 CA GLY A 74 4.238 -10.561 -7.763 1.00 0.00 C ATOM 1106 C GLY A 74 2.894 -11.038 -7.250 1.00 0.00 C ATOM 1107 O GLY A 74 1.887 -10.343 -7.384 1.00 0.00 O ATOM 0 H GLY A 74 6.143 -10.985 -7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.132 -9.554 -8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.559 -11.203 -8.584 1.00 0.00 H new ATOM 1111 N HIS A 75 2.877 -12.230 -6.661 1.00 0.00 N ATOM 1112 CA HIS A 75 1.645 -12.801 -6.127 1.00 0.00 C ATOM 1113 C HIS A 75 0.939 -11.807 -5.210 1.00 0.00 C ATOM 1114 O HIS A 75 -0.256 -11.551 -5.359 1.00 0.00 O ATOM 1115 CB HIS A 75 1.946 -14.092 -5.364 1.00 0.00 C ATOM 1116 CG HIS A 75 2.371 -15.224 -6.247 1.00 0.00 C ATOM 1117 ND1 HIS A 75 3.473 -16.010 -6.211 1.00 0.00 N flip ATOM 1118 CD2 HIS A 75 1.627 -15.661 -7.322 1.00 0.00 C flip ATOM 1119 CE1 HIS A 75 3.374 -16.899 -7.254 1.00 0.00 C flip ATOM 1120 NE2 HIS A 75 2.251 -16.667 -7.908 1.00 0.00 N flip ATOM 0 H HIS A 75 3.701 -12.819 -6.542 1.00 0.00 H new ATOM 0 HA HIS A 75 0.985 -13.028 -6.964 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.731 -13.898 -4.633 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.058 -14.390 -4.807 1.00 0.00 H new ATOM 0 HD1 HIS A 75 4.235 -15.953 -5.535 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.681 -15.245 -7.636 1.00 0.00 H new ATOM 0 HE1 HIS A 75 4.097 -17.663 -7.499 1.00 0.00 H new ATOM 1129 N LEU A 76 1.685 -11.251 -4.262 1.00 0.00 N ATOM 1130 CA LEU A 76 1.129 -10.286 -3.319 1.00 0.00 C ATOM 1131 C LEU A 76 0.327 -9.213 -4.049 1.00 0.00 C ATOM 1132 O LEU A 76 -0.765 -8.842 -3.619 1.00 0.00 O ATOM 1133 CB LEU A 76 2.250 -9.635 -2.506 1.00 0.00 C ATOM 1134 CG LEU A 76 1.808 -8.790 -1.311 1.00 0.00 C ATOM 1135 CD1 LEU A 76 1.557 -9.672 -0.098 1.00 0.00 C ATOM 1136 CD2 LEU A 76 2.851 -7.727 -0.994 1.00 0.00 C ATOM 0 H LEU A 76 2.676 -11.451 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 76 0.460 -10.818 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.913 -10.421 -2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.837 -9.005 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 76 0.875 -8.289 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.243 -9.054 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.774 -10.394 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.473 -10.201 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.520 -7.135 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.800 -8.208 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.981 -7.076 -1.858 1.00 0.00 H new ATOM 1148 N ARG A 77 0.874 -8.721 -5.156 1.00 0.00 N ATOM 1149 CA ARG A 77 0.208 -7.692 -5.945 1.00 0.00 C ATOM 1150 C ARG A 77 -1.088 -8.224 -6.549 1.00 0.00 C ATOM 1151 O ARG A 77 -2.099 -7.522 -6.591 1.00 0.00 O ATOM 1152 CB ARG A 77 1.133 -7.193 -7.056 1.00 0.00 C ATOM 1153 CG ARG A 77 0.739 -5.836 -7.615 1.00 0.00 C ATOM 1154 CD ARG A 77 1.894 -5.179 -8.354 1.00 0.00 C ATOM 1155 NE ARG A 77 2.971 -4.788 -7.449 1.00 0.00 N ATOM 1156 CZ ARG A 77 4.125 -4.271 -7.858 1.00 0.00 C ATOM 1157 NH1 ARG A 77 4.348 -4.084 -9.152 1.00 0.00 N ATOM 1158 NH2 ARG A 77 5.056 -3.941 -6.974 1.00 0.00 N ATOM 0 H ARG A 77 1.777 -9.019 -5.527 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.034 -6.861 -5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.151 -7.136 -6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.139 -7.922 -7.866 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.108 -5.952 -8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.411 -5.188 -6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.283 -5.868 -9.104 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.531 -4.300 -8.886 1.00 0.00 H new ATOM 0 HE ARG A 77 2.830 -4.919 -6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.633 -4.337 -9.834 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.234 -3.687 -9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 77 4.887 -4.084 -5.978 1.00 0.00 H new ATOM 0 HH22 ARG A 77 5.941 -3.544 -7.290 1.00 0.00 H new ATOM 1172 N SER A 78 -1.052 -9.469 -7.014 1.00 0.00 N ATOM 1173 CA SER A 78 -2.222 -10.093 -7.619 1.00 0.00 C ATOM 1174 C SER A 78 -3.320 -10.307 -6.583 1.00 0.00 C ATOM 1175 O SER A 78 -4.428 -9.786 -6.720 1.00 0.00 O ATOM 1176 CB SER A 78 -1.839 -11.431 -8.258 1.00 0.00 C ATOM 1177 OG SER A 78 -2.872 -11.905 -9.105 1.00 0.00 O ATOM 0 H SER A 78 -0.225 -10.065 -6.983 1.00 0.00 H new ATOM 0 HA SER A 78 -2.602 -9.425 -8.392 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.919 -11.314 -8.831 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.638 -12.166 -7.478 1.00 0.00 H new ATOM 0 HG SER A 78 -2.603 -12.759 -9.502 1.00 0.00 H new ATOM 1183 N ILE A 79 -3.006 -11.076 -5.546 1.00 0.00 N ATOM 1184 CA ILE A 79 -3.965 -11.358 -4.486 1.00 0.00 C ATOM 1185 C ILE A 79 -4.617 -10.076 -3.979 1.00 0.00 C ATOM 1186 O ILE A 79 -5.818 -10.041 -3.710 1.00 0.00 O ATOM 1187 CB ILE A 79 -3.298 -12.084 -3.302 1.00 0.00 C ATOM 1188 CG1 ILE A 79 -2.808 -13.468 -3.735 1.00 0.00 C ATOM 1189 CG2 ILE A 79 -4.271 -12.202 -2.138 1.00 0.00 C ATOM 1190 CD1 ILE A 79 -3.899 -14.342 -4.314 1.00 0.00 C ATOM 0 H ILE A 79 -2.094 -11.515 -5.418 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.729 -12.006 -4.916 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.438 -11.500 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.017 -13.349 -4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.366 -13.973 -2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.786 -12.717 -1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.577 -11.206 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.148 -12.767 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.479 -15.307 -4.599 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.680 -14.492 -3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.325 -13.858 -5.193 1.00 0.00 H new ATOM 1202 N LEU A 80 -3.817 -9.023 -3.853 1.00 0.00 N ATOM 1203 CA LEU A 80 -4.317 -7.736 -3.380 1.00 0.00 C ATOM 1204 C LEU A 80 -5.294 -7.130 -4.382 1.00 0.00 C ATOM 1205 O LEU A 80 -6.407 -6.745 -4.024 1.00 0.00 O ATOM 1206 CB LEU A 80 -3.153 -6.773 -3.139 1.00 0.00 C ATOM 1207 CG LEU A 80 -3.427 -5.616 -2.177 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -2.152 -5.206 -1.458 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.024 -4.432 -2.924 1.00 0.00 C ATOM 0 H LEU A 80 -2.821 -9.034 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.845 -7.901 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.308 -7.345 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.848 -6.357 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.148 -5.952 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.367 -4.382 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.766 -6.053 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.408 -4.889 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.213 -3.618 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.326 -4.097 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.961 -4.732 -3.392 1.00 0.00 H new ATOM 1221 N GLY A 81 -4.871 -7.050 -5.640 1.00 0.00 N ATOM 1222 CA GLY A 81 -5.722 -6.492 -6.674 1.00 0.00 C ATOM 1223 C GLY A 81 -7.153 -6.986 -6.578 1.00 0.00 C ATOM 1224 O GLY A 81 -8.092 -6.191 -6.557 1.00 0.00 O ATOM 0 H GLY A 81 -3.954 -7.362 -5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.711 -5.404 -6.601 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.317 -6.750 -7.652 1.00 0.00 H new ATOM 1228 N THR A 82 -7.319 -8.304 -6.522 1.00 0.00 N ATOM 1229 CA THR A 82 -8.644 -8.904 -6.431 1.00 0.00 C ATOM 1230 C THR A 82 -9.291 -8.604 -5.084 1.00 0.00 C ATOM 1231 O THR A 82 -10.509 -8.714 -4.931 1.00 0.00 O ATOM 1232 CB THR A 82 -8.585 -10.430 -6.631 1.00 0.00 C ATOM 1233 OG1 THR A 82 -9.894 -10.993 -6.496 1.00 0.00 O ATOM 1234 CG2 THR A 82 -7.646 -11.072 -5.622 1.00 0.00 C ATOM 0 H THR A 82 -6.552 -8.976 -6.538 1.00 0.00 H new ATOM 0 HA THR A 82 -9.246 -8.464 -7.226 1.00 0.00 H new ATOM 0 HB THR A 82 -8.206 -10.628 -7.634 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.848 -11.963 -6.626 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.621 -12.150 -5.783 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.643 -10.663 -5.747 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.000 -10.864 -4.612 1.00 0.00 H new ATOM 1242 N LEU A 83 -8.472 -8.224 -4.110 1.00 0.00 N ATOM 1243 CA LEU A 83 -8.966 -7.907 -2.774 1.00 0.00 C ATOM 1244 C LEU A 83 -9.239 -6.413 -2.635 1.00 0.00 C ATOM 1245 O LEU A 83 -8.493 -5.582 -3.155 1.00 0.00 O ATOM 1246 CB LEU A 83 -7.955 -8.352 -1.716 1.00 0.00 C ATOM 1247 CG LEU A 83 -8.538 -8.781 -0.370 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -9.263 -10.111 -0.501 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -7.440 -8.871 0.681 1.00 0.00 C ATOM 0 H LEU A 83 -7.463 -8.128 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.902 -8.445 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.378 -9.183 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.257 -7.533 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.259 -8.028 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.671 -10.400 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.074 -10.014 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.564 -10.874 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.872 -9.178 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.696 -9.603 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.965 -7.897 0.795 1.00 0.00 H new ATOM 1261 N THR A 84 -10.314 -6.076 -1.928 1.00 0.00 N ATOM 1262 CA THR A 84 -10.686 -4.682 -1.720 1.00 0.00 C ATOM 1263 C THR A 84 -9.862 -4.055 -0.601 1.00 0.00 C ATOM 1264 O THR A 84 -9.609 -4.684 0.426 1.00 0.00 O ATOM 1265 CB THR A 84 -12.182 -4.546 -1.378 1.00 0.00 C ATOM 1266 OG1 THR A 84 -12.524 -5.437 -0.311 1.00 0.00 O ATOM 1267 CG2 THR A 84 -13.044 -4.846 -2.595 1.00 0.00 C ATOM 0 H THR A 84 -10.942 -6.750 -1.490 1.00 0.00 H new ATOM 0 HA THR A 84 -10.485 -4.157 -2.654 1.00 0.00 H new ATOM 0 HB THR A 84 -12.369 -3.519 -1.065 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.476 -5.343 -0.099 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.096 -4.744 -2.330 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.802 -4.146 -3.394 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.853 -5.864 -2.934 1.00 0.00 H new ATOM 1275 N VAL A 85 -9.444 -2.810 -0.808 1.00 0.00 N ATOM 1276 CA VAL A 85 -8.649 -2.096 0.185 1.00 0.00 C ATOM 1277 C VAL A 85 -9.204 -2.307 1.589 1.00 0.00 C ATOM 1278 O VAL A 85 -8.453 -2.362 2.562 1.00 0.00 O ATOM 1279 CB VAL A 85 -8.601 -0.586 -0.116 1.00 0.00 C ATOM 1280 CG1 VAL A 85 -10.005 -0.001 -0.135 1.00 0.00 C ATOM 1281 CG2 VAL A 85 -7.730 0.132 0.904 1.00 0.00 C ATOM 0 H VAL A 85 -9.642 -2.275 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.639 -2.502 0.133 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.160 -0.443 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.952 1.066 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.595 -0.497 -0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.476 -0.153 0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.707 1.198 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.141 -0.017 1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.717 -0.269 0.865 1.00 0.00 H new ATOM 1291 N GLU A 86 -10.525 -2.424 1.686 1.00 0.00 N ATOM 1292 CA GLU A 86 -11.181 -2.628 2.972 1.00 0.00 C ATOM 1293 C GLU A 86 -10.915 -4.035 3.501 1.00 0.00 C ATOM 1294 O GLU A 86 -10.554 -4.212 4.664 1.00 0.00 O ATOM 1295 CB GLU A 86 -12.688 -2.397 2.844 1.00 0.00 C ATOM 1296 CG GLU A 86 -13.059 -0.951 2.557 1.00 0.00 C ATOM 1297 CD GLU A 86 -14.494 -0.633 2.930 1.00 0.00 C ATOM 1298 OE1 GLU A 86 -15.408 -1.293 2.392 1.00 0.00 O ATOM 1299 OE2 GLU A 86 -14.702 0.276 3.761 1.00 0.00 O ATOM 0 H GLU A 86 -11.161 -2.381 0.890 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.769 -1.908 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.078 -3.029 2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.175 -2.712 3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.389 -0.291 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.908 -0.744 1.497 1.00 0.00 H new ATOM 1306 N GLN A 87 -11.097 -5.029 2.638 1.00 0.00 N ATOM 1307 CA GLN A 87 -10.877 -6.419 3.018 1.00 0.00 C ATOM 1308 C GLN A 87 -9.472 -6.616 3.578 1.00 0.00 C ATOM 1309 O GLN A 87 -9.283 -7.302 4.582 1.00 0.00 O ATOM 1310 CB GLN A 87 -11.094 -7.340 1.817 1.00 0.00 C ATOM 1311 CG GLN A 87 -12.544 -7.750 1.618 1.00 0.00 C ATOM 1312 CD GLN A 87 -12.721 -8.739 0.483 1.00 0.00 C ATOM 1313 OE1 GLN A 87 -12.125 -9.818 0.485 1.00 0.00 O ATOM 1314 NE2 GLN A 87 -13.543 -8.378 -0.495 1.00 0.00 N ATOM 0 H GLN A 87 -11.396 -4.898 1.672 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.597 -6.673 3.796 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.740 -6.838 0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.486 -8.236 1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.923 -8.190 2.540 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.144 -6.862 1.418 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.016 -7.475 -0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.701 -9.003 -1.285 1.00 0.00 H new ATOM 1323 N ILE A 88 -8.489 -6.010 2.920 1.00 0.00 N ATOM 1324 CA ILE A 88 -7.101 -6.118 3.351 1.00 0.00 C ATOM 1325 C ILE A 88 -6.956 -5.768 4.829 1.00 0.00 C ATOM 1326 O ILE A 88 -6.214 -6.422 5.562 1.00 0.00 O ATOM 1327 CB ILE A 88 -6.181 -5.200 2.525 1.00 0.00 C ATOM 1328 CG1 ILE A 88 -6.259 -5.566 1.042 1.00 0.00 C ATOM 1329 CG2 ILE A 88 -4.748 -5.297 3.026 1.00 0.00 C ATOM 1330 CD1 ILE A 88 -5.778 -4.465 0.122 1.00 0.00 C ATOM 0 H ILE A 88 -8.629 -5.439 2.086 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.802 -7.154 3.194 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.517 -4.170 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.664 -6.462 0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.290 -5.814 0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.110 -4.643 2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.707 -4.993 4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.399 -6.325 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.862 -4.794 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.388 -3.574 0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.737 -4.233 0.346 1.00 0.00 H new ATOM 1342 N TYR A 89 -7.671 -4.734 5.258 1.00 0.00 N ATOM 1343 CA TYR A 89 -7.621 -4.296 6.648 1.00 0.00 C ATOM 1344 C TYR A 89 -8.360 -5.276 7.554 1.00 0.00 C ATOM 1345 O TYR A 89 -7.818 -5.736 8.560 1.00 0.00 O ATOM 1346 CB TYR A 89 -8.229 -2.899 6.787 1.00 0.00 C ATOM 1347 CG TYR A 89 -7.430 -1.819 6.092 1.00 0.00 C ATOM 1348 CD1 TYR A 89 -6.068 -1.679 6.321 1.00 0.00 C ATOM 1349 CD2 TYR A 89 -8.039 -0.940 5.204 1.00 0.00 C ATOM 1350 CE1 TYR A 89 -5.334 -0.694 5.690 1.00 0.00 C ATOM 1351 CE2 TYR A 89 -7.314 0.047 4.567 1.00 0.00 C ATOM 1352 CZ TYR A 89 -5.962 0.167 4.813 1.00 0.00 C ATOM 1353 OH TYR A 89 -5.234 1.149 4.180 1.00 0.00 O ATOM 0 H TYR A 89 -8.291 -4.184 4.664 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.575 -4.262 6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.240 -2.910 6.380 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.314 -2.652 7.845 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.573 -2.353 7.005 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.097 -1.031 5.009 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.275 -0.598 5.882 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.803 0.722 3.880 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.311 0.844 4.058 1.00 0.00 H new ATOM 1363 N GLN A 90 -9.599 -5.591 7.191 1.00 0.00 N ATOM 1364 CA GLN A 90 -10.411 -6.517 7.971 1.00 0.00 C ATOM 1365 C GLN A 90 -9.546 -7.603 8.601 1.00 0.00 C ATOM 1366 O GLN A 90 -9.456 -7.706 9.824 1.00 0.00 O ATOM 1367 CB GLN A 90 -11.487 -7.153 7.088 1.00 0.00 C ATOM 1368 CG GLN A 90 -12.798 -6.384 7.077 1.00 0.00 C ATOM 1369 CD GLN A 90 -13.652 -6.672 8.297 1.00 0.00 C ATOM 1370 OE1 GLN A 90 -13.197 -6.540 9.433 1.00 0.00 O ATOM 1371 NE2 GLN A 90 -14.899 -7.069 8.067 1.00 0.00 N ATOM 0 H GLN A 90 -10.062 -5.219 6.362 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.893 -5.954 8.770 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.111 -7.228 6.068 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.675 -8.170 7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.588 -5.315 7.029 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.358 -6.640 6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -15.235 -7.165 7.109 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -15.520 -7.278 8.849 1.00 0.00 H new ATOM 1380 N ASP A 91 -8.913 -8.411 7.758 1.00 0.00 N ATOM 1381 CA ASP A 91 -8.055 -9.490 8.232 1.00 0.00 C ATOM 1382 C ASP A 91 -6.821 -9.633 7.346 1.00 0.00 C ATOM 1383 O ASP A 91 -6.906 -10.138 6.226 1.00 0.00 O ATOM 1384 CB ASP A 91 -8.828 -10.809 8.267 1.00 0.00 C ATOM 1385 CG ASP A 91 -9.923 -10.866 7.220 1.00 0.00 C ATOM 1386 OD1 ASP A 91 -10.981 -10.236 7.433 1.00 0.00 O ATOM 1387 OD2 ASP A 91 -9.723 -11.541 6.189 1.00 0.00 O ATOM 0 H ASP A 91 -8.978 -8.339 6.743 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.729 -9.243 9.242 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.136 -11.637 8.110 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.267 -10.943 9.256 1.00 0.00 H new ATOM 1392 N ARG A 92 -5.678 -9.186 7.854 1.00 0.00 N ATOM 1393 CA ARG A 92 -4.428 -9.262 7.107 1.00 0.00 C ATOM 1394 C ARG A 92 -3.927 -10.701 7.031 1.00 0.00 C ATOM 1395 O ARG A 92 -3.729 -11.244 5.944 1.00 0.00 O ATOM 1396 CB ARG A 92 -3.366 -8.374 7.758 1.00 0.00 C ATOM 1397 CG ARG A 92 -3.636 -6.886 7.601 1.00 0.00 C ATOM 1398 CD ARG A 92 -3.011 -6.084 8.733 1.00 0.00 C ATOM 1399 NE ARG A 92 -3.166 -4.646 8.535 1.00 0.00 N ATOM 1400 CZ ARG A 92 -2.994 -3.749 9.499 1.00 0.00 C ATOM 1401 NH1 ARG A 92 -2.660 -4.140 10.721 1.00 0.00 N ATOM 1402 NH2 ARG A 92 -3.153 -2.457 9.242 1.00 0.00 N ATOM 0 H ARG A 92 -5.591 -8.767 8.780 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.617 -8.908 6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.305 -8.614 8.820 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.394 -8.606 7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.238 -6.542 6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.712 -6.710 7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.471 -6.371 9.678 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.951 -6.328 8.808 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.420 -4.312 7.605 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.534 -5.132 10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.529 -3.449 11.460 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.408 -2.151 8.303 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.021 -1.769 9.984 1.00 0.00 H new ATOM 1416 N ASP A 93 -3.724 -11.313 8.192 1.00 0.00 N ATOM 1417 CA ASP A 93 -3.246 -12.689 8.259 1.00 0.00 C ATOM 1418 C ASP A 93 -3.863 -13.532 7.147 1.00 0.00 C ATOM 1419 O ASP A 93 -3.242 -14.473 6.652 1.00 0.00 O ATOM 1420 CB ASP A 93 -3.575 -13.301 9.621 1.00 0.00 C ATOM 1421 CG ASP A 93 -3.157 -12.409 10.772 1.00 0.00 C ATOM 1422 OD1 ASP A 93 -3.739 -11.313 10.915 1.00 0.00 O ATOM 1423 OD2 ASP A 93 -2.248 -12.806 11.531 1.00 0.00 O ATOM 0 H ASP A 93 -3.883 -10.878 9.101 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.164 -12.679 8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.647 -13.490 9.682 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.076 -14.266 9.713 1.00 0.00 H new ATOM 1428 N GLN A 94 -5.087 -13.187 6.758 1.00 0.00 N ATOM 1429 CA GLN A 94 -5.787 -13.914 5.705 1.00 0.00 C ATOM 1430 C GLN A 94 -5.270 -13.509 4.329 1.00 0.00 C ATOM 1431 O GLN A 94 -4.976 -14.361 3.491 1.00 0.00 O ATOM 1432 CB GLN A 94 -7.292 -13.656 5.795 1.00 0.00 C ATOM 1433 CG GLN A 94 -8.114 -14.521 4.852 1.00 0.00 C ATOM 1434 CD GLN A 94 -8.273 -15.943 5.352 1.00 0.00 C ATOM 1435 OE1 GLN A 94 -8.815 -16.175 6.433 1.00 0.00 O ATOM 1436 NE2 GLN A 94 -7.798 -16.904 4.569 1.00 0.00 N ATOM 0 H GLN A 94 -5.614 -12.409 7.156 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.599 -14.979 5.844 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.622 -13.833 6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.486 -12.606 5.575 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.099 -14.074 4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.638 -14.536 3.871 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.356 -16.666 3.681 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.875 -17.880 4.855 1.00 0.00 H new ATOM 1445 N PHE A 95 -5.161 -12.204 4.102 1.00 0.00 N ATOM 1446 CA PHE A 95 -4.681 -11.687 2.826 1.00 0.00 C ATOM 1447 C PHE A 95 -3.311 -12.266 2.486 1.00 0.00 C ATOM 1448 O PHE A 95 -3.094 -12.768 1.385 1.00 0.00 O ATOM 1449 CB PHE A 95 -4.607 -10.159 2.867 1.00 0.00 C ATOM 1450 CG PHE A 95 -3.758 -9.572 1.776 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -3.960 -9.931 0.453 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -2.758 -8.660 2.074 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -3.181 -9.391 -0.554 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -1.976 -8.117 1.072 1.00 0.00 C ATOM 1455 CZ PHE A 95 -2.187 -8.484 -0.243 1.00 0.00 C ATOM 0 H PHE A 95 -5.399 -11.485 4.785 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.385 -11.989 2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.615 -9.752 2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.210 -9.848 3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.735 -10.641 0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.588 -8.370 3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.350 -9.678 -1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.201 -7.406 1.317 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.575 -8.062 -1.027 1.00 0.00 H new ATOM 1465 N ALA A 96 -2.390 -12.189 3.441 1.00 0.00 N ATOM 1466 CA ALA A 96 -1.041 -12.706 3.244 1.00 0.00 C ATOM 1467 C ALA A 96 -1.051 -14.222 3.083 1.00 0.00 C ATOM 1468 O ALA A 96 -0.342 -14.773 2.241 1.00 0.00 O ATOM 1469 CB ALA A 96 -0.147 -12.304 4.408 1.00 0.00 C ATOM 0 H ALA A 96 -2.553 -11.774 4.358 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.643 -12.272 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.857 -12.697 4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.105 -11.217 4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.552 -12.710 5.335 1.00 0.00 H new ATOM 1475 N LYS A 97 -1.861 -14.893 3.896 1.00 0.00 N ATOM 1476 CA LYS A 97 -1.965 -16.346 3.844 1.00 0.00 C ATOM 1477 C LYS A 97 -2.195 -16.825 2.413 1.00 0.00 C ATOM 1478 O LYS A 97 -1.705 -17.883 2.015 1.00 0.00 O ATOM 1479 CB LYS A 97 -3.105 -16.829 4.743 1.00 0.00 C ATOM 1480 CG LYS A 97 -3.273 -18.339 4.755 1.00 0.00 C ATOM 1481 CD LYS A 97 -4.673 -18.741 5.190 1.00 0.00 C ATOM 1482 CE LYS A 97 -4.863 -18.565 6.690 1.00 0.00 C ATOM 1483 NZ LYS A 97 -4.077 -19.561 7.469 1.00 0.00 N ATOM 0 H LYS A 97 -2.455 -14.453 4.599 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.025 -16.765 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.925 -16.484 5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.037 -16.371 4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.072 -18.736 3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.540 -18.782 5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.408 -18.139 4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.855 -19.781 4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.561 -17.558 6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.920 -18.664 6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.615 -19.845 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.893 -20.397 6.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.173 -19.138 7.762 1.00 0.00 H new ATOM 1497 N LEU A 98 -2.941 -16.039 1.645 1.00 0.00 N ATOM 1498 CA LEU A 98 -3.233 -16.382 0.257 1.00 0.00 C ATOM 1499 C LEU A 98 -1.986 -16.249 -0.611 1.00 0.00 C ATOM 1500 O LEU A 98 -1.785 -17.022 -1.549 1.00 0.00 O ATOM 1501 CB LEU A 98 -4.345 -15.483 -0.287 1.00 0.00 C ATOM 1502 CG LEU A 98 -5.774 -15.991 -0.093 1.00 0.00 C ATOM 1503 CD1 LEU A 98 -6.272 -15.665 1.307 1.00 0.00 C ATOM 1504 CD2 LEU A 98 -6.700 -15.394 -1.142 1.00 0.00 C ATOM 0 H LEU A 98 -3.354 -15.161 1.959 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.565 -17.420 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.260 -14.506 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.175 -15.334 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.772 -17.074 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.291 -16.034 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.625 -16.141 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.258 -14.585 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.713 -15.767 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.696 -14.308 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.356 -15.679 -2.136 1.00 0.00 H new ATOM 1516 N VAL A 99 -1.151 -15.265 -0.293 1.00 0.00 N ATOM 1517 CA VAL A 99 0.078 -15.034 -1.041 1.00 0.00 C ATOM 1518 C VAL A 99 1.055 -16.192 -0.866 1.00 0.00 C ATOM 1519 O VAL A 99 1.674 -16.646 -1.829 1.00 0.00 O ATOM 1520 CB VAL A 99 0.765 -13.727 -0.603 1.00 0.00 C ATOM 1521 CG1 VAL A 99 1.969 -13.433 -1.485 1.00 0.00 C ATOM 1522 CG2 VAL A 99 -0.222 -12.571 -0.632 1.00 0.00 C ATOM 0 H VAL A 99 -1.304 -14.615 0.478 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.202 -14.954 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 99 1.117 -13.849 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.441 -12.506 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.685 -14.251 -1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.645 -13.331 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.281 -11.656 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.607 -12.446 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.048 -12.781 0.047 1.00 0.00 H new ATOM 1532 N ARG A 100 1.187 -16.665 0.368 1.00 0.00 N ATOM 1533 CA ARG A 100 2.089 -17.771 0.669 1.00 0.00 C ATOM 1534 C ARG A 100 1.493 -19.099 0.213 1.00 0.00 C ATOM 1535 O ARG A 100 2.221 -20.048 -0.078 1.00 0.00 O ATOM 1536 CB ARG A 100 2.384 -17.821 2.170 1.00 0.00 C ATOM 1537 CG ARG A 100 1.176 -18.189 3.016 1.00 0.00 C ATOM 1538 CD ARG A 100 1.588 -18.623 4.415 1.00 0.00 C ATOM 1539 NE ARG A 100 0.464 -18.599 5.347 1.00 0.00 N ATOM 1540 CZ ARG A 100 0.580 -18.860 6.644 1.00 0.00 C ATOM 1541 NH1 ARG A 100 1.763 -19.162 7.160 1.00 0.00 N ATOM 1542 NH2 ARG A 100 -0.489 -18.818 7.429 1.00 0.00 N ATOM 0 H ARG A 100 0.682 -16.301 1.176 1.00 0.00 H new ATOM 0 HA ARG A 100 3.020 -17.606 0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.178 -18.545 2.352 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.759 -16.849 2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.503 -17.334 3.082 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.623 -18.994 2.532 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.004 -19.630 4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.377 -17.966 4.781 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.460 -18.369 4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.588 -19.194 6.561 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.849 -19.362 8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.401 -18.585 7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.399 -19.019 8.425 1.00 0.00 H new ATOM 1556 N GLU A 101 0.166 -19.157 0.151 1.00 0.00 N ATOM 1557 CA GLU A 101 -0.526 -20.369 -0.269 1.00 0.00 C ATOM 1558 C GLU A 101 -0.408 -20.568 -1.778 1.00 0.00 C ATOM 1559 O GLU A 101 -0.196 -21.683 -2.254 1.00 0.00 O ATOM 1560 CB GLU A 101 -2.000 -20.307 0.134 1.00 0.00 C ATOM 1561 CG GLU A 101 -2.274 -20.853 1.526 1.00 0.00 C ATOM 1562 CD GLU A 101 -3.756 -20.942 1.837 1.00 0.00 C ATOM 1563 OE1 GLU A 101 -4.453 -19.916 1.692 1.00 0.00 O ATOM 1564 OE2 GLU A 101 -4.217 -22.035 2.224 1.00 0.00 O ATOM 0 H GLU A 101 -0.450 -18.379 0.386 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.056 -21.216 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.338 -19.272 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.590 -20.869 -0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.827 -21.843 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.789 -20.214 2.265 1.00 0.00 H new ATOM 1571 N VAL A 102 -0.548 -19.477 -2.525 1.00 0.00 N ATOM 1572 CA VAL A 102 -0.457 -19.530 -3.979 1.00 0.00 C ATOM 1573 C VAL A 102 0.995 -19.620 -4.436 1.00 0.00 C ATOM 1574 O VAL A 102 1.283 -20.120 -5.523 1.00 0.00 O ATOM 1575 CB VAL A 102 -1.112 -18.295 -4.628 1.00 0.00 C ATOM 1576 CG1 VAL A 102 -0.419 -17.021 -4.170 1.00 0.00 C ATOM 1577 CG2 VAL A 102 -1.083 -18.413 -6.144 1.00 0.00 C ATOM 0 H VAL A 102 -0.725 -18.546 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 102 -0.991 -20.425 -4.297 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.154 -18.247 -4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.895 -16.159 -4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.497 -16.934 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.632 -17.055 -4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.549 -17.533 -6.586 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.050 -18.486 -6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.629 -19.305 -6.450 1.00 0.00 H new ATOM 1587 N ALA A 103 1.904 -19.133 -3.599 1.00 0.00 N ATOM 1588 CA ALA A 103 3.326 -19.161 -3.915 1.00 0.00 C ATOM 1589 C ALA A 103 3.976 -20.446 -3.412 1.00 0.00 C ATOM 1590 O ALA A 103 4.719 -21.103 -4.140 1.00 0.00 O ATOM 1591 CB ALA A 103 4.024 -17.947 -3.318 1.00 0.00 C ATOM 0 H ALA A 103 1.681 -18.714 -2.696 1.00 0.00 H new ATOM 0 HA ALA A 103 3.432 -19.131 -4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.086 -17.981 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.586 -17.037 -3.729 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.900 -17.952 -2.235 1.00 0.00 H new ATOM 1597 N ALA A 104 3.690 -20.800 -2.164 1.00 0.00 N ATOM 1598 CA ALA A 104 4.245 -22.007 -1.565 1.00 0.00 C ATOM 1599 C ALA A 104 4.512 -23.072 -2.623 1.00 0.00 C ATOM 1600 O ALA A 104 5.639 -23.532 -2.806 1.00 0.00 O ATOM 1601 CB ALA A 104 3.306 -22.545 -0.496 1.00 0.00 C ATOM 0 H ALA A 104 3.076 -20.267 -1.547 1.00 0.00 H new ATOM 0 HA ALA A 104 5.196 -21.748 -1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.733 -23.447 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 104 3.170 -21.793 0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.341 -22.782 -0.945 1.00 0.00 H new ATOM 1607 N PRO A 105 3.451 -23.475 -3.338 1.00 0.00 N ATOM 1608 CA PRO A 105 3.546 -24.492 -4.391 1.00 0.00 C ATOM 1609 C PRO A 105 4.303 -23.989 -5.615 1.00 0.00 C ATOM 1610 O PRO A 105 5.007 -24.751 -6.277 1.00 0.00 O ATOM 1611 CB PRO A 105 2.084 -24.773 -4.745 1.00 0.00 C ATOM 1612 CG PRO A 105 1.357 -23.528 -4.371 1.00 0.00 C ATOM 1613 CD PRO A 105 2.078 -22.971 -3.174 1.00 0.00 C ATOM 0 HA PRO A 105 4.095 -25.373 -4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.969 -24.995 -5.806 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.702 -25.634 -4.196 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.358 -22.814 -5.194 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.315 -23.741 -4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.049 -21.881 -3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.632 -23.315 -2.241 1.00 0.00 H new ATOM 1621 N ASP A 106 4.153 -22.702 -5.910 1.00 0.00 N ATOM 1622 CA ASP A 106 4.825 -22.097 -7.055 1.00 0.00 C ATOM 1623 C ASP A 106 6.340 -22.156 -6.889 1.00 0.00 C ATOM 1624 O ASP A 106 7.053 -22.640 -7.768 1.00 0.00 O ATOM 1625 CB ASP A 106 4.375 -20.646 -7.228 1.00 0.00 C ATOM 1626 CG ASP A 106 4.455 -20.184 -8.670 1.00 0.00 C ATOM 1627 OD1 ASP A 106 5.554 -19.776 -9.103 1.00 0.00 O ATOM 1628 OD2 ASP A 106 3.419 -20.231 -9.366 1.00 0.00 O ATOM 0 H ASP A 106 3.573 -22.058 -5.373 1.00 0.00 H new ATOM 0 HA ASP A 106 4.553 -22.663 -7.946 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.350 -20.541 -6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 106 4.995 -20.000 -6.607 1.00 0.00 H new ATOM 1633 N VAL A 107 6.827 -21.659 -5.756 1.00 0.00 N ATOM 1634 CA VAL A 107 8.257 -21.655 -5.475 1.00 0.00 C ATOM 1635 C VAL A 107 8.824 -23.070 -5.488 1.00 0.00 C ATOM 1636 O VAL A 107 9.850 -23.334 -6.114 1.00 0.00 O ATOM 1637 CB VAL A 107 8.560 -21.006 -4.112 1.00 0.00 C ATOM 1638 CG1 VAL A 107 8.298 -19.508 -4.163 1.00 0.00 C ATOM 1639 CG2 VAL A 107 7.735 -21.662 -3.015 1.00 0.00 C ATOM 0 H VAL A 107 6.251 -21.254 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 107 8.732 -21.069 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 107 9.615 -21.159 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.518 -19.067 -3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.936 -19.053 -4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.252 -19.330 -4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.962 -21.191 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.674 -21.542 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.977 -22.724 -2.963 1.00 0.00 H new ATOM 1649 N GLY A 108 8.148 -23.980 -4.793 1.00 0.00 N ATOM 1650 CA GLY A 108 8.599 -25.358 -4.738 1.00 0.00 C ATOM 1651 C GLY A 108 9.206 -25.822 -6.048 1.00 0.00 C ATOM 1652 O GLY A 108 10.292 -26.400 -6.065 1.00 0.00 O ATOM 0 H GLY A 108 7.296 -23.787 -4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.336 -25.464 -3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.758 -26.002 -4.482 1.00 0.00 H new ATOM 1656 N ARG A 109 8.502 -25.570 -7.146 1.00 0.00 N ATOM 1657 CA ARG A 109 8.977 -25.968 -8.466 1.00 0.00 C ATOM 1658 C ARG A 109 10.454 -25.625 -8.639 1.00 0.00 C ATOM 1659 O ARG A 109 11.254 -26.468 -9.043 1.00 0.00 O ATOM 1660 CB ARG A 109 8.151 -25.284 -9.557 1.00 0.00 C ATOM 1661 CG ARG A 109 6.691 -25.704 -9.570 1.00 0.00 C ATOM 1662 CD ARG A 109 6.074 -25.532 -10.949 1.00 0.00 C ATOM 1663 NE ARG A 109 6.290 -26.703 -11.794 1.00 0.00 N ATOM 1664 CZ ARG A 109 5.582 -27.823 -11.692 1.00 0.00 C ATOM 1665 NH1 ARG A 109 4.619 -27.923 -10.786 1.00 0.00 N ATOM 1666 NH2 ARG A 109 5.838 -28.846 -12.498 1.00 0.00 N ATOM 0 H ARG A 109 7.601 -25.092 -7.148 1.00 0.00 H new ATOM 0 HA ARG A 109 8.860 -27.048 -8.556 1.00 0.00 H new ATOM 0 HB2 ARG A 109 8.208 -24.204 -9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.593 -25.506 -10.528 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.608 -26.746 -9.261 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.134 -25.111 -8.845 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.004 -25.350 -10.848 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.502 -24.653 -11.431 1.00 0.00 H new ATOM 0 HE ARG A 109 7.024 -26.659 -12.501 1.00 0.00 H new ATOM 0 HH11 ARG A 109 4.420 -27.139 -10.165 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.077 -28.784 -10.710 1.00 0.00 H new ATOM 0 HH21 ARG A 109 6.578 -28.773 -13.196 1.00 0.00 H new ATOM 0 HH22 ARG A 109 5.294 -29.706 -12.420 1.00 0.00 H new ATOM 1680 N MET A 110 10.807 -24.381 -8.331 1.00 0.00 N ATOM 1681 CA MET A 110 12.186 -23.926 -8.452 1.00 0.00 C ATOM 1682 C MET A 110 13.078 -24.613 -7.421 1.00 0.00 C ATOM 1683 O MET A 110 14.200 -25.012 -7.724 1.00 0.00 O ATOM 1684 CB MET A 110 12.263 -22.408 -8.279 1.00 0.00 C ATOM 1685 CG MET A 110 11.306 -21.645 -9.181 1.00 0.00 C ATOM 1686 SD MET A 110 11.677 -19.882 -9.252 1.00 0.00 S ATOM 1687 CE MET A 110 11.509 -19.431 -7.526 1.00 0.00 C ATOM 0 H MET A 110 10.156 -23.671 -7.996 1.00 0.00 H new ATOM 0 HA MET A 110 12.542 -24.189 -9.448 1.00 0.00 H new ATOM 0 HB2 MET A 110 12.048 -22.157 -7.240 1.00 0.00 H new ATOM 0 HB3 MET A 110 13.282 -22.078 -8.482 1.00 0.00 H new ATOM 0 HG2 MET A 110 11.350 -22.063 -10.187 1.00 0.00 H new ATOM 0 HG3 MET A 110 10.286 -21.784 -8.822 1.00 0.00 H new ATOM 0 HE1 MET A 110 11.514 -18.345 -7.432 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.570 -19.825 -7.137 1.00 0.00 H new ATOM 0 HE3 MET A 110 12.340 -19.849 -6.958 1.00 0.00 H new ATOM 1697 N GLY A 111 12.568 -24.745 -6.199 1.00 0.00 N ATOM 1698 CA GLY A 111 13.331 -25.383 -5.143 1.00 0.00 C ATOM 1699 C GLY A 111 13.459 -24.510 -3.911 1.00 0.00 C ATOM 1700 O GLY A 111 14.457 -24.577 -3.194 1.00 0.00 O ATOM 0 H GLY A 111 11.641 -24.421 -5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 111 12.852 -26.323 -4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.326 -25.629 -5.515 1.00 0.00 H new ATOM 1704 N ILE A 112 12.445 -23.686 -3.665 1.00 0.00 N ATOM 1705 CA ILE A 112 12.449 -22.795 -2.511 1.00 0.00 C ATOM 1706 C ILE A 112 11.241 -23.050 -1.615 1.00 0.00 C ATOM 1707 O ILE A 112 10.122 -23.212 -2.099 1.00 0.00 O ATOM 1708 CB ILE A 112 12.449 -21.315 -2.943 1.00 0.00 C ATOM 1709 CG1 ILE A 112 13.663 -21.021 -3.826 1.00 0.00 C ATOM 1710 CG2 ILE A 112 12.444 -20.408 -1.722 1.00 0.00 C ATOM 1711 CD1 ILE A 112 14.987 -21.261 -3.136 1.00 0.00 C ATOM 0 H ILE A 112 11.611 -23.617 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 112 13.362 -23.004 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 112 11.546 -21.119 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.611 -21.643 -4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 112 13.618 -19.983 -4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.444 -19.366 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.552 -20.604 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.332 -20.603 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.802 -21.032 -3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 112 15.061 -20.620 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.054 -22.305 -2.829 1.00 0.00 H new ATOM 1723 N GLU A 113 11.479 -23.085 -0.308 1.00 0.00 N ATOM 1724 CA GLU A 113 10.411 -23.320 0.656 1.00 0.00 C ATOM 1725 C GLU A 113 10.165 -22.080 1.510 1.00 0.00 C ATOM 1726 O GLU A 113 11.107 -21.426 1.959 1.00 0.00 O ATOM 1727 CB GLU A 113 10.755 -24.511 1.553 1.00 0.00 C ATOM 1728 CG GLU A 113 9.890 -24.604 2.799 1.00 0.00 C ATOM 1729 CD GLU A 113 10.274 -25.771 3.688 1.00 0.00 C ATOM 1730 OE1 GLU A 113 10.171 -26.928 3.228 1.00 0.00 O ATOM 1731 OE2 GLU A 113 10.676 -25.527 4.845 1.00 0.00 O ATOM 0 H GLU A 113 12.401 -22.954 0.107 1.00 0.00 H new ATOM 0 HA GLU A 113 9.500 -23.544 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.649 -25.431 0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.801 -24.440 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.974 -23.677 3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.845 -24.704 2.505 1.00 0.00 H new ATOM 1738 N ILE A 114 8.894 -21.762 1.731 1.00 0.00 N ATOM 1739 CA ILE A 114 8.525 -20.601 2.531 1.00 0.00 C ATOM 1740 C ILE A 114 8.276 -20.992 3.984 1.00 0.00 C ATOM 1741 O ILE A 114 7.517 -21.919 4.268 1.00 0.00 O ATOM 1742 CB ILE A 114 7.265 -19.910 1.975 1.00 0.00 C ATOM 1743 CG1 ILE A 114 6.050 -20.831 2.111 1.00 0.00 C ATOM 1744 CG2 ILE A 114 7.477 -19.516 0.520 1.00 0.00 C ATOM 1745 CD1 ILE A 114 5.297 -20.647 3.409 1.00 0.00 C ATOM 0 H ILE A 114 8.102 -22.292 1.367 1.00 0.00 H new ATOM 0 HA ILE A 114 9.363 -19.905 2.482 1.00 0.00 H new ATOM 0 HB ILE A 114 7.078 -19.005 2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.371 -20.650 1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.379 -21.867 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.579 -19.029 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.320 -18.829 0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.684 -20.408 -0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.449 -21.331 3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.961 -20.857 4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.938 -19.620 3.479 1.00 0.00 H new ATOM 1757 N LEU A 115 8.919 -20.277 4.901 1.00 0.00 N ATOM 1758 CA LEU A 115 8.765 -20.547 6.327 1.00 0.00 C ATOM 1759 C LEU A 115 7.411 -20.059 6.832 1.00 0.00 C ATOM 1760 O LEU A 115 6.672 -20.805 7.472 1.00 0.00 O ATOM 1761 CB LEU A 115 9.890 -19.873 7.116 1.00 0.00 C ATOM 1762 CG LEU A 115 11.301 -20.407 6.862 1.00 0.00 C ATOM 1763 CD1 LEU A 115 11.430 -21.836 7.364 1.00 0.00 C ATOM 1764 CD2 LEU A 115 11.642 -20.326 5.381 1.00 0.00 C ATOM 0 H LEU A 115 9.551 -19.507 4.683 1.00 0.00 H new ATOM 0 HA LEU A 115 8.819 -21.625 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.880 -18.807 6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.671 -19.973 8.179 1.00 0.00 H new ATOM 0 HG LEU A 115 12.009 -19.787 7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 115 12.440 -22.198 7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 115 11.229 -21.865 8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.713 -22.471 6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.649 -20.710 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.930 -20.922 4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 115 11.592 -19.288 5.052 1.00 0.00 H new ATOM 1776 N SER A 116 7.094 -18.803 6.537 1.00 0.00 N ATOM 1777 CA SER A 116 5.829 -18.214 6.962 1.00 0.00 C ATOM 1778 C SER A 116 5.549 -16.921 6.203 1.00 0.00 C ATOM 1779 O SER A 116 6.325 -16.516 5.337 1.00 0.00 O ATOM 1780 CB SER A 116 5.850 -17.942 8.467 1.00 0.00 C ATOM 1781 OG SER A 116 5.360 -19.055 9.193 1.00 0.00 O ATOM 0 H SER A 116 7.695 -18.173 6.006 1.00 0.00 H new ATOM 0 HA SER A 116 5.033 -18.924 6.739 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.868 -17.716 8.785 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.244 -17.063 8.689 1.00 0.00 H new ATOM 0 HG SER A 116 5.672 -19.883 8.772 1.00 0.00 H new ATOM 1787 N PHE A 117 4.436 -16.277 6.536 1.00 0.00 N ATOM 1788 CA PHE A 117 4.051 -15.029 5.886 1.00 0.00 C ATOM 1789 C PHE A 117 3.287 -14.126 6.850 1.00 0.00 C ATOM 1790 O PHE A 117 2.593 -14.603 7.749 1.00 0.00 O ATOM 1791 CB PHE A 117 3.194 -15.315 4.650 1.00 0.00 C ATOM 1792 CG PHE A 117 3.342 -14.286 3.567 1.00 0.00 C ATOM 1793 CD1 PHE A 117 2.812 -13.016 3.722 1.00 0.00 C ATOM 1794 CD2 PHE A 117 4.013 -14.589 2.392 1.00 0.00 C ATOM 1795 CE1 PHE A 117 2.946 -12.067 2.725 1.00 0.00 C ATOM 1796 CE2 PHE A 117 4.151 -13.645 1.392 1.00 0.00 C ATOM 1797 CZ PHE A 117 3.617 -12.382 1.560 1.00 0.00 C ATOM 0 H PHE A 117 3.784 -16.598 7.252 1.00 0.00 H new ATOM 0 HA PHE A 117 4.961 -14.514 5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 117 3.462 -16.293 4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 117 2.147 -15.369 4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.288 -12.764 4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.433 -15.575 2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.526 -11.081 2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.675 -13.894 0.481 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.724 -11.642 0.781 1.00 0.00 H new ATOM 1807 N THR A 118 3.421 -12.817 6.658 1.00 0.00 N ATOM 1808 CA THR A 118 2.747 -11.847 7.510 1.00 0.00 C ATOM 1809 C THR A 118 2.761 -10.458 6.880 1.00 0.00 C ATOM 1810 O THR A 118 3.521 -10.197 5.947 1.00 0.00 O ATOM 1811 CB THR A 118 3.400 -11.772 8.904 1.00 0.00 C ATOM 1812 OG1 THR A 118 3.950 -13.047 9.255 1.00 0.00 O ATOM 1813 CG2 THR A 118 2.387 -11.344 9.954 1.00 0.00 C ATOM 0 H THR A 118 3.991 -12.405 5.919 1.00 0.00 H new ATOM 0 HA THR A 118 1.716 -12.185 7.618 1.00 0.00 H new ATOM 0 HB THR A 118 4.197 -11.030 8.869 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.364 -12.992 10.141 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.871 -11.298 10.929 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.992 -10.361 9.699 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.571 -12.066 9.988 1.00 0.00 H new ATOM 1821 N ILE A 119 1.917 -9.571 7.397 1.00 0.00 N ATOM 1822 CA ILE A 119 1.835 -8.209 6.886 1.00 0.00 C ATOM 1823 C ILE A 119 2.545 -7.229 7.814 1.00 0.00 C ATOM 1824 O ILE A 119 2.126 -7.021 8.953 1.00 0.00 O ATOM 1825 CB ILE A 119 0.372 -7.761 6.707 1.00 0.00 C ATOM 1826 CG1 ILE A 119 -0.345 -8.676 5.711 1.00 0.00 C ATOM 1827 CG2 ILE A 119 0.314 -6.314 6.244 1.00 0.00 C ATOM 1828 CD1 ILE A 119 0.274 -8.668 4.331 1.00 0.00 C ATOM 0 H ILE A 119 1.281 -9.771 8.169 1.00 0.00 H new ATOM 0 HA ILE A 119 2.328 -8.207 5.914 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.136 -7.833 7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.339 -9.695 6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -1.388 -8.370 5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.726 -6.012 6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.792 -5.675 6.986 1.00 0.00 H new ATOM 0 HG23 ILE A 119 0.834 -6.216 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -0.285 -9.338 3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 119 0.244 -7.657 3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 119 1.309 -9.003 4.395 1.00 0.00 H new ATOM 1840 N LYS A 120 3.620 -6.627 7.320 1.00 0.00 N ATOM 1841 CA LYS A 120 4.388 -5.666 8.103 1.00 0.00 C ATOM 1842 C LYS A 120 3.584 -4.391 8.340 1.00 0.00 C ATOM 1843 O LYS A 120 3.188 -4.096 9.467 1.00 0.00 O ATOM 1844 CB LYS A 120 5.700 -5.330 7.391 1.00 0.00 C ATOM 1845 CG LYS A 120 6.471 -4.193 8.042 1.00 0.00 C ATOM 1846 CD LYS A 120 7.397 -4.700 9.134 1.00 0.00 C ATOM 1847 CE LYS A 120 8.773 -5.044 8.583 1.00 0.00 C ATOM 1848 NZ LYS A 120 9.540 -5.918 9.511 1.00 0.00 N ATOM 0 H LYS A 120 3.980 -6.787 6.379 1.00 0.00 H new ATOM 0 HA LYS A 120 4.612 -6.118 9.069 1.00 0.00 H new ATOM 0 HB2 LYS A 120 6.330 -6.219 7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 120 5.485 -5.066 6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.053 -3.667 7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 120 5.771 -3.472 8.464 1.00 0.00 H new ATOM 0 HD2 LYS A 120 7.494 -3.942 9.911 1.00 0.00 H new ATOM 0 HD3 LYS A 120 6.960 -5.582 9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.664 -5.544 7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 120 9.332 -4.126 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 10.471 -6.129 9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 9.666 -5.431 10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 9.019 -6.805 9.662 1.00 0.00 H new ATOM 1862 N ASP A 121 3.346 -3.641 7.269 1.00 0.00 N ATOM 1863 CA ASP A 121 2.587 -2.400 7.361 1.00 0.00 C ATOM 1864 C ASP A 121 1.878 -2.098 6.044 1.00 0.00 C ATOM 1865 O ASP A 121 2.393 -2.399 4.967 1.00 0.00 O ATOM 1866 CB ASP A 121 3.510 -1.238 7.734 1.00 0.00 C ATOM 1867 CG ASP A 121 2.772 -0.114 8.435 1.00 0.00 C ATOM 1868 OD1 ASP A 121 1.577 0.088 8.134 1.00 0.00 O ATOM 1869 OD2 ASP A 121 3.389 0.564 9.283 1.00 0.00 O ATOM 0 H ASP A 121 3.667 -3.871 6.329 1.00 0.00 H new ATOM 0 HA ASP A 121 1.834 -2.521 8.140 1.00 0.00 H new ATOM 0 HB2 ASP A 121 4.307 -1.604 8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 121 3.984 -0.851 6.832 1.00 0.00 H new ATOM 1874 N VAL A 122 0.693 -1.503 6.138 1.00 0.00 N ATOM 1875 CA VAL A 122 -0.087 -1.162 4.954 1.00 0.00 C ATOM 1876 C VAL A 122 -0.581 0.279 5.019 1.00 0.00 C ATOM 1877 O VAL A 122 -1.313 0.654 5.935 1.00 0.00 O ATOM 1878 CB VAL A 122 -1.296 -2.101 4.788 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -2.058 -2.227 6.099 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -2.208 -1.602 3.677 1.00 0.00 C ATOM 0 H VAL A 122 0.252 -1.247 7.022 1.00 0.00 H new ATOM 0 HA VAL A 122 0.574 -1.279 4.095 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.932 -3.090 4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.909 -2.894 5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.398 -2.633 6.866 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.414 -1.244 6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.057 -2.277 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.567 -0.602 3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.654 -1.569 2.739 1.00 0.00 H new ATOM 1890 N TYR A 123 -0.176 1.083 4.042 1.00 0.00 N ATOM 1891 CA TYR A 123 -0.576 2.483 3.988 1.00 0.00 C ATOM 1892 C TYR A 123 -0.954 2.888 2.567 1.00 0.00 C ATOM 1893 O TYR A 123 -0.498 2.286 1.596 1.00 0.00 O ATOM 1894 CB TYR A 123 0.553 3.378 4.502 1.00 0.00 C ATOM 1895 CG TYR A 123 1.923 2.965 4.012 1.00 0.00 C ATOM 1896 CD1 TYR A 123 2.617 1.926 4.622 1.00 0.00 C ATOM 1897 CD2 TYR A 123 2.524 3.614 2.941 1.00 0.00 C ATOM 1898 CE1 TYR A 123 3.868 1.546 4.179 1.00 0.00 C ATOM 1899 CE2 TYR A 123 3.775 3.239 2.491 1.00 0.00 C ATOM 1900 CZ TYR A 123 4.444 2.205 3.112 1.00 0.00 C ATOM 1901 OH TYR A 123 5.690 1.830 2.667 1.00 0.00 O ATOM 0 H TYR A 123 0.430 0.788 3.276 1.00 0.00 H new ATOM 0 HA TYR A 123 -1.450 2.609 4.627 1.00 0.00 H new ATOM 0 HB2 TYR A 123 0.360 4.405 4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 123 0.547 3.366 5.592 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.170 1.407 5.457 1.00 0.00 H new ATOM 0 HD2 TYR A 123 2.005 4.425 2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.393 0.737 4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 123 4.227 3.753 1.656 1.00 0.00 H new ATOM 0 HH TYR A 123 5.950 2.394 1.908 1.00 0.00 H new ATOM 1911 N ASP A 124 -1.791 3.914 2.454 1.00 0.00 N ATOM 1912 CA ASP A 124 -2.230 4.402 1.152 1.00 0.00 C ATOM 1913 C ASP A 124 -1.465 5.662 0.757 1.00 0.00 C ATOM 1914 O ASP A 124 -1.606 6.710 1.389 1.00 0.00 O ATOM 1915 CB ASP A 124 -3.732 4.688 1.171 1.00 0.00 C ATOM 1916 CG ASP A 124 -4.120 5.678 2.252 1.00 0.00 C ATOM 1917 OD1 ASP A 124 -3.301 5.909 3.166 1.00 0.00 O ATOM 1918 OD2 ASP A 124 -5.242 6.221 2.183 1.00 0.00 O ATOM 0 H ASP A 124 -2.179 4.423 3.248 1.00 0.00 H new ATOM 0 HA ASP A 124 -2.024 3.627 0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.037 5.077 0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.274 3.755 1.325 1.00 0.00 H new