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 71 THR OG1 : rot 65:sc= 0.0306 USER MOD Set 1.2: A 110 MET CE :methyl -123:sc= -4.09! (180deg=-5.74!) USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0.0413 USER MOD Set 2.2: A 39 GLN : amide:sc= -3.03! C(o=-3!,f=-11!) USER MOD Single : A 15 MET CE :methyl -167:sc= -0.213 (180deg=-0.754) USER MOD Single : A 18 GLN : amide:sc= -1.04 K(o=-1,f=-8.5!) USER MOD Single : A 21 CYS SG : rot 24:sc= 0.11 USER MOD Single : A 26 THR OG1 : rot 142:sc= -0.427 USER MOD Single : A 33 THR OG1 : rot 175:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= -1.3 (180deg=-2.17!) USER MOD Single : A 43 MET CE :methyl 136:sc= -0.386 (180deg=-1.29) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0443 X(o=-0.044,f=0.44) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.204 X(o=0.2,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 75 HIS : no HD1:sc= 0.208 K(o=0.21,f=-4!) 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 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0838 K(o=-0.084,f=-2.7!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.134 K(o=-0.13,f=-2!) USER MOD Single : A 94 GLN : amide:sc= -0.663 X(o=-0.66,f=-0.97) USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0797) USER MOD Single : A 116 SER OG : rot 14:sc= 1.22 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 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 18.886 -19.893 6.083 1.00 0.00 N ATOM 172 CA ILE A 14 17.590 -19.229 6.012 1.00 0.00 C ATOM 173 C ILE A 14 17.739 -17.780 5.558 1.00 0.00 C ATOM 174 O ILE A 14 18.680 -17.091 5.949 1.00 0.00 O ATOM 175 CB ILE A 14 16.867 -19.257 7.371 1.00 0.00 C ATOM 176 CG1 ILE A 14 16.672 -20.701 7.839 1.00 0.00 C ATOM 177 CG2 ILE A 14 15.529 -18.539 7.274 1.00 0.00 C ATOM 178 CD1 ILE A 14 16.376 -20.821 9.318 1.00 0.00 C ATOM 0 HA ILE A 14 16.995 -19.777 5.282 1.00 0.00 H new ATOM 0 HB ILE A 14 17.483 -18.737 8.105 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.854 -21.150 7.275 1.00 0.00 H new ATOM 0 HG13 ILE A 14 17.570 -21.274 7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 14 15.030 -18.567 8.243 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.693 -17.502 6.980 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.904 -19.033 6.529 1.00 0.00 H new ATOM 0 HD11 ILE A 14 16.249 -21.872 9.580 1.00 0.00 H new ATOM 0 HD12 ILE A 14 17.204 -20.402 9.890 1.00 0.00 H new ATOM 0 HD13 ILE A 14 15.461 -20.276 9.551 1.00 0.00 H new ATOM 190 N MET A 15 16.804 -17.327 4.730 1.00 0.00 N ATOM 191 CA MET A 15 16.829 -15.959 4.225 1.00 0.00 C ATOM 192 C MET A 15 15.534 -15.229 4.567 1.00 0.00 C ATOM 193 O MET A 15 14.446 -15.800 4.486 1.00 0.00 O ATOM 194 CB MET A 15 17.047 -15.955 2.711 1.00 0.00 C ATOM 195 CG MET A 15 18.321 -16.662 2.278 1.00 0.00 C ATOM 196 SD MET A 15 18.664 -16.459 0.520 1.00 0.00 S ATOM 197 CE MET A 15 17.165 -17.125 -0.198 1.00 0.00 C ATOM 0 H MET A 15 16.020 -17.887 4.394 1.00 0.00 H new ATOM 0 HA MET A 15 17.657 -15.436 4.705 1.00 0.00 H new ATOM 0 HB2 MET A 15 16.194 -16.433 2.228 1.00 0.00 H new ATOM 0 HB3 MET A 15 17.076 -14.924 2.359 1.00 0.00 H new ATOM 0 HG2 MET A 15 19.161 -16.275 2.855 1.00 0.00 H new ATOM 0 HG3 MET A 15 18.239 -17.724 2.508 1.00 0.00 H new ATOM 0 HE1 MET A 15 17.313 -17.284 -1.266 1.00 0.00 H new ATOM 0 HE2 MET A 15 16.923 -18.074 0.280 1.00 0.00 H new ATOM 0 HE3 MET A 15 16.345 -16.423 -0.045 1.00 0.00 H new ATOM 207 N THR A 16 15.658 -13.961 4.948 1.00 0.00 N ATOM 208 CA THR A 16 14.497 -13.154 5.303 1.00 0.00 C ATOM 209 C THR A 16 14.085 -12.247 4.150 1.00 0.00 C ATOM 210 O THR A 16 14.739 -11.242 3.872 1.00 0.00 O ATOM 211 CB THR A 16 14.775 -12.288 6.548 1.00 0.00 C ATOM 212 OG1 THR A 16 15.318 -13.098 7.596 1.00 0.00 O ATOM 213 CG2 THR A 16 13.500 -11.611 7.030 1.00 0.00 C ATOM 0 H THR A 16 16.550 -13.471 5.019 1.00 0.00 H new ATOM 0 HA THR A 16 13.685 -13.847 5.524 1.00 0.00 H new ATOM 0 HB THR A 16 15.496 -11.517 6.276 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.493 -12.541 8.383 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.720 -11.005 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.105 -10.973 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.760 -12.369 7.287 1.00 0.00 H new ATOM 221 N LEU A 17 12.994 -12.608 3.481 1.00 0.00 N ATOM 222 CA LEU A 17 12.493 -11.826 2.356 1.00 0.00 C ATOM 223 C LEU A 17 11.173 -11.147 2.710 1.00 0.00 C ATOM 224 O LEU A 17 10.190 -11.813 3.031 1.00 0.00 O ATOM 225 CB LEU A 17 12.307 -12.721 1.130 1.00 0.00 C ATOM 226 CG LEU A 17 13.548 -12.945 0.267 1.00 0.00 C ATOM 227 CD1 LEU A 17 14.588 -13.755 1.026 1.00 0.00 C ATOM 228 CD2 LEU A 17 13.175 -13.639 -1.035 1.00 0.00 C ATOM 0 H LEU A 17 12.440 -13.437 3.698 1.00 0.00 H new ATOM 0 HA LEU A 17 13.227 -11.054 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.943 -13.692 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.527 -12.287 0.504 1.00 0.00 H new ATOM 0 HG LEU A 17 13.979 -11.973 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.464 -13.904 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.878 -13.219 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.168 -14.723 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.071 -13.790 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.719 -14.604 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.467 -13.020 -1.587 1.00 0.00 H new ATOM 240 N GLN A 18 11.161 -9.820 2.647 1.00 0.00 N ATOM 241 CA GLN A 18 9.963 -9.052 2.959 1.00 0.00 C ATOM 242 C GLN A 18 9.276 -8.571 1.685 1.00 0.00 C ATOM 243 O GLN A 18 9.648 -7.557 1.095 1.00 0.00 O ATOM 244 CB GLN A 18 10.314 -7.856 3.846 1.00 0.00 C ATOM 245 CG GLN A 18 10.907 -8.247 5.190 1.00 0.00 C ATOM 246 CD GLN A 18 12.417 -8.362 5.150 1.00 0.00 C ATOM 247 OE1 GLN A 18 12.995 -8.758 4.138 1.00 0.00 O ATOM 248 NE2 GLN A 18 13.067 -8.014 6.255 1.00 0.00 N ATOM 0 H GLN A 18 11.968 -9.255 2.383 1.00 0.00 H new ATOM 0 HA GLN A 18 9.275 -9.704 3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.023 -7.218 3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.415 -7.263 4.014 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.623 -7.506 5.938 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.482 -9.199 5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.548 -7.691 7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.085 -8.070 6.287 1.00 0.00 H new ATOM 257 N PRO A 19 8.250 -9.316 1.248 1.00 0.00 N ATOM 258 CA PRO A 19 7.490 -8.985 0.039 1.00 0.00 C ATOM 259 C PRO A 19 6.635 -7.735 0.216 1.00 0.00 C ATOM 260 O PRO A 19 5.616 -7.761 0.905 1.00 0.00 O ATOM 261 CB PRO A 19 6.602 -10.215 -0.171 1.00 0.00 C ATOM 262 CG PRO A 19 6.457 -10.811 1.187 1.00 0.00 C ATOM 263 CD PRO A 19 7.752 -10.538 1.901 1.00 0.00 C ATOM 0 HA PRO A 19 8.143 -8.765 -0.805 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.634 -9.938 -0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.059 -10.919 -0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.617 -10.367 1.720 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.264 -11.882 1.124 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.598 -10.388 2.970 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.453 -11.366 1.793 1.00 0.00 H new ATOM 271 N ARG A 20 7.057 -6.642 -0.412 1.00 0.00 N ATOM 272 CA ARG A 20 6.329 -5.381 -0.323 1.00 0.00 C ATOM 273 C ARG A 20 5.825 -4.946 -1.696 1.00 0.00 C ATOM 274 O ARG A 20 6.362 -5.359 -2.725 1.00 0.00 O ATOM 275 CB ARG A 20 7.226 -4.292 0.271 1.00 0.00 C ATOM 276 CG ARG A 20 6.607 -2.904 0.226 1.00 0.00 C ATOM 277 CD ARG A 20 7.511 -1.871 0.882 1.00 0.00 C ATOM 278 NE ARG A 20 8.556 -1.405 -0.025 1.00 0.00 N ATOM 279 CZ ARG A 20 9.395 -0.418 0.268 1.00 0.00 C ATOM 280 NH1 ARG A 20 9.313 0.204 1.436 1.00 0.00 N ATOM 281 NH2 ARG A 20 10.321 -0.050 -0.610 1.00 0.00 N ATOM 0 H ARG A 20 7.898 -6.604 -0.987 1.00 0.00 H new ATOM 0 HA ARG A 20 5.469 -5.531 0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.455 -4.546 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.172 -4.277 -0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.420 -2.621 -0.810 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.641 -2.918 0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.912 -1.022 1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.969 -2.303 1.772 1.00 0.00 H new ATOM 0 HE ARG A 20 8.647 -1.862 -0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.604 -0.075 2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.959 0.961 1.657 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.388 -0.525 -1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.965 0.708 -0.384 1.00 0.00 H new ATOM 295 N CYS A 21 4.790 -4.113 -1.703 1.00 0.00 N ATOM 296 CA CYS A 21 4.212 -3.624 -2.950 1.00 0.00 C ATOM 297 C CYS A 21 3.751 -2.178 -2.805 1.00 0.00 C ATOM 298 O CYS A 21 3.112 -1.816 -1.818 1.00 0.00 O ATOM 299 CB CYS A 21 3.036 -4.506 -3.371 1.00 0.00 C ATOM 300 SG CYS A 21 1.622 -4.441 -2.245 1.00 0.00 S ATOM 0 H CYS A 21 4.334 -3.762 -0.860 1.00 0.00 H new ATOM 0 HA CYS A 21 4.983 -3.666 -3.720 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.708 -4.205 -4.366 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.379 -5.538 -3.447 1.00 0.00 H new ATOM 0 HG CYS A 21 1.643 -3.320 -1.586 1.00 0.00 H new ATOM 306 N GLU A 22 4.083 -1.354 -3.794 1.00 0.00 N ATOM 307 CA GLU A 22 3.706 0.055 -3.774 1.00 0.00 C ATOM 308 C GLU A 22 3.038 0.458 -5.086 1.00 0.00 C ATOM 309 O GLU A 22 3.415 -0.016 -6.157 1.00 0.00 O ATOM 310 CB GLU A 22 4.935 0.931 -3.524 1.00 0.00 C ATOM 311 CG GLU A 22 5.636 0.636 -2.209 1.00 0.00 C ATOM 312 CD GLU A 22 6.769 1.603 -1.922 1.00 0.00 C ATOM 313 OE1 GLU A 22 7.512 1.944 -2.866 1.00 0.00 O ATOM 314 OE2 GLU A 22 6.912 2.018 -0.752 1.00 0.00 O ATOM 0 H GLU A 22 4.612 -1.638 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 22 2.993 0.203 -2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.642 0.792 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.633 1.978 -3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.910 0.681 -1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.028 -0.381 -2.231 1.00 0.00 H new ATOM 321 N ASP A 23 2.045 1.334 -4.992 1.00 0.00 N ATOM 322 CA ASP A 23 1.323 1.802 -6.170 1.00 0.00 C ATOM 323 C ASP A 23 0.540 0.663 -6.815 1.00 0.00 C ATOM 324 O ASP A 23 0.655 0.420 -8.017 1.00 0.00 O ATOM 325 CB ASP A 23 2.297 2.406 -7.182 1.00 0.00 C ATOM 326 CG ASP A 23 1.647 3.468 -8.047 1.00 0.00 C ATOM 327 OD1 ASP A 23 1.015 4.388 -7.485 1.00 0.00 O ATOM 328 OD2 ASP A 23 1.771 3.381 -9.287 1.00 0.00 O ATOM 0 H ASP A 23 1.721 1.735 -4.112 1.00 0.00 H new ATOM 0 HA ASP A 23 0.617 2.570 -5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.144 2.841 -6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.692 1.615 -7.819 1.00 0.00 H new ATOM 333 N VAL A 24 -0.254 -0.034 -6.009 1.00 0.00 N ATOM 334 CA VAL A 24 -1.056 -1.148 -6.502 1.00 0.00 C ATOM 335 C VAL A 24 -2.541 -0.906 -6.255 1.00 0.00 C ATOM 336 O VAL A 24 -3.035 -1.102 -5.146 1.00 0.00 O ATOM 337 CB VAL A 24 -0.645 -2.473 -5.835 1.00 0.00 C ATOM 338 CG1 VAL A 24 0.748 -2.889 -6.284 1.00 0.00 C ATOM 339 CG2 VAL A 24 -0.710 -2.350 -4.319 1.00 0.00 C ATOM 0 H VAL A 24 -0.359 0.153 -5.012 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.875 -1.219 -7.575 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.347 -3.247 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.021 -3.828 -5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.757 -3.021 -7.366 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.465 -2.117 -6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.416 -3.296 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.033 -1.563 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.728 -2.103 -4.017 1.00 0.00 H new ATOM 349 N GLU A 25 -3.247 -0.481 -7.300 1.00 0.00 N ATOM 350 CA GLU A 25 -4.677 -0.214 -7.196 1.00 0.00 C ATOM 351 C GLU A 25 -5.431 -1.457 -6.732 1.00 0.00 C ATOM 352 O GLU A 25 -5.225 -2.553 -7.253 1.00 0.00 O ATOM 353 CB GLU A 25 -5.228 0.258 -8.543 1.00 0.00 C ATOM 354 CG GLU A 25 -4.568 1.525 -9.060 1.00 0.00 C ATOM 355 CD GLU A 25 -5.448 2.285 -10.035 1.00 0.00 C ATOM 356 OE1 GLU A 25 -5.378 1.995 -11.247 1.00 0.00 O ATOM 357 OE2 GLU A 25 -6.204 3.170 -9.583 1.00 0.00 O ATOM 0 H GLU A 25 -2.852 -0.315 -8.226 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.821 0.573 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.097 -0.536 -9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.300 0.430 -8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.322 2.172 -8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.628 1.267 -9.549 1.00 0.00 H new ATOM 364 N THR A 26 -6.306 -1.278 -5.747 1.00 0.00 N ATOM 365 CA THR A 26 -7.090 -2.383 -5.211 1.00 0.00 C ATOM 366 C THR A 26 -8.158 -2.831 -6.202 1.00 0.00 C ATOM 367 O THR A 26 -8.228 -2.328 -7.323 1.00 0.00 O ATOM 368 CB THR A 26 -7.768 -1.999 -3.883 1.00 0.00 C ATOM 369 OG1 THR A 26 -8.229 -0.644 -3.942 1.00 0.00 O ATOM 370 CG2 THR A 26 -6.805 -2.162 -2.717 1.00 0.00 C ATOM 0 H THR A 26 -6.489 -0.377 -5.304 1.00 0.00 H new ATOM 0 HA THR A 26 -6.396 -3.204 -5.032 1.00 0.00 H new ATOM 0 HB THR A 26 -8.617 -2.665 -3.728 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.091 -0.571 -3.481 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.306 -1.885 -1.790 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.479 -3.200 -2.657 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.939 -1.518 -2.868 1.00 0.00 H new ATOM 378 N ALA A 27 -8.989 -3.780 -5.782 1.00 0.00 N ATOM 379 CA ALA A 27 -10.055 -4.294 -6.633 1.00 0.00 C ATOM 380 C ALA A 27 -11.013 -3.181 -7.045 1.00 0.00 C ATOM 381 O ALA A 27 -11.495 -3.153 -8.176 1.00 0.00 O ATOM 382 CB ALA A 27 -10.810 -5.405 -5.919 1.00 0.00 C ATOM 0 H ALA A 27 -8.944 -4.208 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.601 -4.700 -7.537 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.603 -5.780 -6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.123 -6.217 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.246 -5.016 -4.999 1.00 0.00 H new ATOM 388 N GLU A 28 -11.284 -2.267 -6.119 1.00 0.00 N ATOM 389 CA GLU A 28 -12.186 -1.153 -6.386 1.00 0.00 C ATOM 390 C GLU A 28 -11.498 -0.088 -7.235 1.00 0.00 C ATOM 391 O GLU A 28 -12.091 0.462 -8.163 1.00 0.00 O ATOM 392 CB GLU A 28 -12.676 -0.537 -5.074 1.00 0.00 C ATOM 393 CG GLU A 28 -11.561 -0.254 -4.081 1.00 0.00 C ATOM 394 CD GLU A 28 -12.042 0.520 -2.869 1.00 0.00 C ATOM 395 OE1 GLU A 28 -12.955 1.357 -3.024 1.00 0.00 O ATOM 396 OE2 GLU A 28 -11.505 0.288 -1.766 1.00 0.00 O ATOM 0 H GLU A 28 -10.892 -2.276 -5.177 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.043 -1.538 -6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.201 0.393 -5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.399 -1.211 -4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.122 -1.197 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.772 0.310 -4.578 1.00 0.00 H new ATOM 403 N GLY A 29 -10.241 0.200 -6.910 1.00 0.00 N ATOM 404 CA GLY A 29 -9.493 1.198 -7.650 1.00 0.00 C ATOM 405 C GLY A 29 -8.775 2.177 -6.742 1.00 0.00 C ATOM 406 O GLY A 29 -8.952 3.390 -6.861 1.00 0.00 O ATOM 0 H GLY A 29 -9.728 -0.241 -6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.765 0.700 -8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.172 1.745 -8.304 1.00 0.00 H new ATOM 410 N VAL A 30 -7.964 1.650 -5.830 1.00 0.00 N ATOM 411 CA VAL A 30 -7.218 2.486 -4.897 1.00 0.00 C ATOM 412 C VAL A 30 -5.829 1.913 -4.635 1.00 0.00 C ATOM 413 O VAL A 30 -5.692 0.792 -4.144 1.00 0.00 O ATOM 414 CB VAL A 30 -7.962 2.633 -3.556 1.00 0.00 C ATOM 415 CG1 VAL A 30 -7.204 3.566 -2.624 1.00 0.00 C ATOM 416 CG2 VAL A 30 -9.380 3.131 -3.787 1.00 0.00 C ATOM 0 H VAL A 30 -7.807 0.648 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.121 3.468 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.018 1.653 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.745 3.658 -1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.210 3.162 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.114 4.548 -3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.892 3.229 -2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.349 4.101 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.918 2.420 -4.414 1.00 0.00 H new ATOM 426 N ALA A 31 -4.803 2.689 -4.965 1.00 0.00 N ATOM 427 CA ALA A 31 -3.425 2.260 -4.763 1.00 0.00 C ATOM 428 C ALA A 31 -3.074 2.221 -3.280 1.00 0.00 C ATOM 429 O ALA A 31 -3.228 3.214 -2.567 1.00 0.00 O ATOM 430 CB ALA A 31 -2.471 3.181 -5.509 1.00 0.00 C ATOM 0 H ALA A 31 -4.900 3.619 -5.374 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.323 1.250 -5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.445 2.849 -5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.699 3.155 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.584 4.200 -5.138 1.00 0.00 H new ATOM 436 N LEU A 32 -2.602 1.067 -2.818 1.00 0.00 N ATOM 437 CA LEU A 32 -2.229 0.898 -1.418 1.00 0.00 C ATOM 438 C LEU A 32 -0.805 0.366 -1.294 1.00 0.00 C ATOM 439 O LEU A 32 -0.246 -0.174 -2.250 1.00 0.00 O ATOM 440 CB LEU A 32 -3.204 -0.055 -0.723 1.00 0.00 C ATOM 441 CG LEU A 32 -4.412 0.597 -0.047 1.00 0.00 C ATOM 442 CD1 LEU A 32 -3.969 1.453 1.128 1.00 0.00 C ATOM 443 CD2 LEU A 32 -5.198 1.429 -1.050 1.00 0.00 C ATOM 0 H LEU A 32 -2.469 0.235 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.276 1.874 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.568 -0.772 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.654 -0.621 0.028 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.063 -0.191 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.842 1.908 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.450 0.830 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.297 2.235 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.054 1.886 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.556 2.210 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.548 0.788 -1.859 1.00 0.00 H new ATOM 455 N THR A 33 -0.222 0.519 -0.110 1.00 0.00 N ATOM 456 CA THR A 33 1.136 0.054 0.140 1.00 0.00 C ATOM 457 C THR A 33 1.168 -0.965 1.273 1.00 0.00 C ATOM 458 O THR A 33 0.682 -0.702 2.373 1.00 0.00 O ATOM 459 CB THR A 33 2.075 1.225 0.491 1.00 0.00 C ATOM 460 OG1 THR A 33 1.959 2.259 -0.493 1.00 0.00 O ATOM 461 CG2 THR A 33 3.519 0.753 0.571 1.00 0.00 C ATOM 0 H THR A 33 -0.670 0.962 0.692 1.00 0.00 H new ATOM 0 HA THR A 33 1.483 -0.418 -0.779 1.00 0.00 H new ATOM 0 HB THR A 33 1.782 1.618 1.465 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.495 3.032 -0.220 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.164 1.596 0.820 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.609 -0.013 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.820 0.338 -0.391 1.00 0.00 H new ATOM 469 N VAL A 34 1.745 -2.131 0.997 1.00 0.00 N ATOM 470 CA VAL A 34 1.842 -3.190 1.993 1.00 0.00 C ATOM 471 C VAL A 34 3.264 -3.733 2.081 1.00 0.00 C ATOM 472 O VAL A 34 3.761 -4.360 1.145 1.00 0.00 O ATOM 473 CB VAL A 34 0.880 -4.351 1.676 1.00 0.00 C ATOM 474 CG1 VAL A 34 0.988 -5.439 2.732 1.00 0.00 C ATOM 475 CG2 VAL A 34 -0.550 -3.842 1.566 1.00 0.00 C ATOM 0 H VAL A 34 2.152 -2.365 0.092 1.00 0.00 H new ATOM 0 HA VAL A 34 1.564 -2.749 2.950 1.00 0.00 H new ATOM 0 HB VAL A 34 1.163 -4.783 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.301 -6.250 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.008 -5.823 2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.733 -5.026 3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.216 -4.675 1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.847 -3.384 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.613 -3.102 0.768 1.00 0.00 H new ATOM 485 N THR A 35 3.915 -3.490 3.215 1.00 0.00 N ATOM 486 CA THR A 35 5.281 -3.953 3.426 1.00 0.00 C ATOM 487 C THR A 35 5.379 -5.465 3.261 1.00 0.00 C ATOM 488 O THR A 35 6.132 -5.961 2.424 1.00 0.00 O ATOM 489 CB THR A 35 5.796 -3.564 4.825 1.00 0.00 C ATOM 490 OG1 THR A 35 5.834 -2.139 4.954 1.00 0.00 O ATOM 491 CG2 THR A 35 7.184 -4.138 5.069 1.00 0.00 C ATOM 0 H THR A 35 3.518 -2.975 4.001 1.00 0.00 H new ATOM 0 HA THR A 35 5.901 -3.467 2.672 1.00 0.00 H new ATOM 0 HB THR A 35 5.113 -3.977 5.568 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.161 -1.900 5.846 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.527 -3.850 6.063 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.146 -5.225 4.999 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.875 -3.750 4.320 1.00 0.00 H new ATOM 499 N GLY A 36 4.614 -6.195 4.068 1.00 0.00 N ATOM 500 CA GLY A 36 4.630 -7.644 3.996 1.00 0.00 C ATOM 501 C GLY A 36 5.941 -8.234 4.475 1.00 0.00 C ATOM 502 O GLY A 36 7.016 -7.767 4.098 1.00 0.00 O ATOM 0 H GLY A 36 3.984 -5.808 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.814 -8.044 4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.449 -7.956 2.967 1.00 0.00 H new ATOM 506 N VAL A 37 5.854 -9.264 5.312 1.00 0.00 N ATOM 507 CA VAL A 37 7.044 -9.917 5.846 1.00 0.00 C ATOM 508 C VAL A 37 6.872 -11.432 5.873 1.00 0.00 C ATOM 509 O VAL A 37 5.964 -11.952 6.519 1.00 0.00 O ATOM 510 CB VAL A 37 7.366 -9.423 7.267 1.00 0.00 C ATOM 511 CG1 VAL A 37 8.341 -10.368 7.953 1.00 0.00 C ATOM 512 CG2 VAL A 37 7.922 -8.008 7.226 1.00 0.00 C ATOM 0 H VAL A 37 4.973 -9.664 5.634 1.00 0.00 H new ATOM 0 HA VAL A 37 7.871 -9.659 5.185 1.00 0.00 H new ATOM 0 HB VAL A 37 6.442 -9.409 7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.557 -10.002 8.957 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.900 -11.363 8.016 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.266 -10.417 7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.144 -7.675 8.240 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.835 -7.993 6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.186 -7.341 6.778 1.00 0.00 H new ATOM 522 N ALA A 38 7.751 -12.135 5.166 1.00 0.00 N ATOM 523 CA ALA A 38 7.699 -13.590 5.111 1.00 0.00 C ATOM 524 C ALA A 38 9.099 -14.192 5.155 1.00 0.00 C ATOM 525 O ALA A 38 9.992 -13.763 4.425 1.00 0.00 O ATOM 526 CB ALA A 38 6.967 -14.045 3.857 1.00 0.00 C ATOM 0 H ALA A 38 8.508 -11.719 4.623 1.00 0.00 H new ATOM 0 HA ALA A 38 7.153 -13.942 5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.936 -15.134 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.950 -13.653 3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.490 -13.674 2.976 1.00 0.00 H new ATOM 532 N GLN A 39 9.284 -15.187 6.016 1.00 0.00 N ATOM 533 CA GLN A 39 10.577 -15.847 6.156 1.00 0.00 C ATOM 534 C GLN A 39 10.713 -16.995 5.161 1.00 0.00 C ATOM 535 O GLN A 39 9.749 -17.710 4.886 1.00 0.00 O ATOM 536 CB GLN A 39 10.755 -16.369 7.582 1.00 0.00 C ATOM 537 CG GLN A 39 12.191 -16.740 7.919 1.00 0.00 C ATOM 538 CD GLN A 39 13.084 -15.526 8.083 1.00 0.00 C ATOM 539 OE1 GLN A 39 12.758 -14.433 7.617 1.00 0.00 O ATOM 540 NE2 GLN A 39 14.219 -15.711 8.748 1.00 0.00 N ATOM 0 H GLN A 39 8.555 -15.554 6.627 1.00 0.00 H new ATOM 0 HA GLN A 39 11.355 -15.114 5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.410 -15.610 8.284 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.120 -17.244 7.722 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.205 -17.324 8.839 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.592 -17.378 7.131 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.449 -16.634 9.117 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.860 -14.930 8.890 1.00 0.00 H new ATOM 549 N VAL A 40 11.916 -17.165 4.622 1.00 0.00 N ATOM 550 CA VAL A 40 12.179 -18.226 3.658 1.00 0.00 C ATOM 551 C VAL A 40 13.525 -18.890 3.925 1.00 0.00 C ATOM 552 O VAL A 40 14.353 -18.365 4.669 1.00 0.00 O ATOM 553 CB VAL A 40 12.161 -17.690 2.215 1.00 0.00 C ATOM 554 CG1 VAL A 40 13.370 -16.802 1.959 1.00 0.00 C ATOM 555 CG2 VAL A 40 12.115 -18.840 1.220 1.00 0.00 C ATOM 0 H VAL A 40 12.724 -16.581 4.837 1.00 0.00 H new ATOM 0 HA VAL A 40 11.384 -18.963 3.774 1.00 0.00 H new ATOM 0 HB VAL A 40 11.263 -17.087 2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.340 -16.433 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.355 -15.958 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.283 -17.378 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.103 -18.443 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.994 -19.471 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.215 -19.432 1.389 1.00 0.00 H new ATOM 565 N LYS A 41 13.738 -20.051 3.312 1.00 0.00 N ATOM 566 CA LYS A 41 14.984 -20.787 3.481 1.00 0.00 C ATOM 567 C LYS A 41 15.223 -21.730 2.305 1.00 0.00 C ATOM 568 O LYS A 41 14.296 -22.381 1.822 1.00 0.00 O ATOM 569 CB LYS A 41 14.957 -21.583 4.788 1.00 0.00 C ATOM 570 CG LYS A 41 13.864 -22.636 4.836 1.00 0.00 C ATOM 571 CD LYS A 41 14.193 -23.738 5.830 1.00 0.00 C ATOM 572 CE LYS A 41 13.604 -25.072 5.400 1.00 0.00 C ATOM 573 NZ LYS A 41 12.232 -25.272 5.942 1.00 0.00 N ATOM 0 H LYS A 41 13.063 -20.501 2.694 1.00 0.00 H new ATOM 0 HA LYS A 41 15.800 -20.066 3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 41 15.923 -22.068 4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.822 -20.893 5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.919 -22.168 5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.730 -23.068 3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.275 -23.831 5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.807 -23.469 6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.576 -25.123 4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.250 -25.881 5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.977 -26.278 5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.204 -24.969 6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.555 -24.709 5.389 1.00 0.00 H new ATOM 587 N ILE A 42 16.469 -21.798 1.850 1.00 0.00 N ATOM 588 CA ILE A 42 16.829 -22.662 0.732 1.00 0.00 C ATOM 589 C ILE A 42 16.606 -24.130 1.080 1.00 0.00 C ATOM 590 O ILE A 42 17.054 -24.607 2.122 1.00 0.00 O ATOM 591 CB ILE A 42 18.297 -22.462 0.316 1.00 0.00 C ATOM 592 CG1 ILE A 42 18.538 -21.010 -0.106 1.00 0.00 C ATOM 593 CG2 ILE A 42 18.662 -23.415 -0.813 1.00 0.00 C ATOM 594 CD1 ILE A 42 17.626 -20.546 -1.219 1.00 0.00 C ATOM 0 H ILE A 42 17.247 -21.265 2.238 1.00 0.00 H new ATOM 0 HA ILE A 42 16.184 -22.386 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 42 18.935 -22.682 1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.401 -20.361 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.574 -20.900 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 42 19.703 -23.262 -1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.524 -24.444 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.020 -23.223 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 42 17.853 -19.509 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.779 -21.171 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.588 -20.623 -0.895 1.00 0.00 H new ATOM 606 N MET A 43 15.911 -24.842 0.199 1.00 0.00 N ATOM 607 CA MET A 43 15.631 -26.257 0.410 1.00 0.00 C ATOM 608 C MET A 43 16.867 -27.104 0.124 1.00 0.00 C ATOM 609 O MET A 43 17.865 -26.608 -0.400 1.00 0.00 O ATOM 610 CB MET A 43 14.472 -26.709 -0.480 1.00 0.00 C ATOM 611 CG MET A 43 13.109 -26.563 0.178 1.00 0.00 C ATOM 612 SD MET A 43 11.888 -27.706 -0.495 1.00 0.00 S ATOM 613 CE MET A 43 11.165 -26.704 -1.792 1.00 0.00 C ATOM 0 H MET A 43 15.531 -24.462 -0.668 1.00 0.00 H new ATOM 0 HA MET A 43 15.351 -26.394 1.455 1.00 0.00 H new ATOM 0 HB2 MET A 43 14.485 -26.129 -1.403 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.623 -27.752 -0.757 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.207 -26.732 1.250 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.755 -25.540 0.048 1.00 0.00 H new ATOM 0 HE1 MET A 43 11.051 -27.304 -2.695 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.188 -26.343 -1.471 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.815 -25.854 -2.001 1.00 0.00 H new ATOM 737 N VAL A 51 17.895 -28.870 -9.377 1.00 0.00 N ATOM 738 CA VAL A 51 16.828 -28.028 -9.903 1.00 0.00 C ATOM 739 C VAL A 51 17.085 -26.557 -9.595 1.00 0.00 C ATOM 740 O VAL A 51 16.701 -25.675 -10.362 1.00 0.00 O ATOM 741 CB VAL A 51 15.458 -28.430 -9.324 1.00 0.00 C ATOM 742 CG1 VAL A 51 15.481 -28.365 -7.804 1.00 0.00 C ATOM 743 CG2 VAL A 51 14.360 -27.541 -9.888 1.00 0.00 C ATOM 0 HA VAL A 51 16.815 -28.173 -10.983 1.00 0.00 H new ATOM 0 HB VAL A 51 15.247 -29.459 -9.616 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.505 -28.652 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.240 -29.048 -7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.714 -27.349 -7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.399 -27.839 -9.468 1.00 0.00 H new ATOM 0 HG22 VAL A 51 14.563 -26.502 -9.628 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.330 -27.644 -10.973 1.00 0.00 H new ATOM 753 N ALA A 52 17.738 -26.301 -8.466 1.00 0.00 N ATOM 754 CA ALA A 52 18.050 -24.937 -8.056 1.00 0.00 C ATOM 755 C ALA A 52 19.551 -24.676 -8.110 1.00 0.00 C ATOM 756 O ALA A 52 19.988 -23.572 -8.435 1.00 0.00 O ATOM 757 CB ALA A 52 17.515 -24.671 -6.656 1.00 0.00 C ATOM 0 H ALA A 52 18.061 -27.020 -7.819 1.00 0.00 H new ATOM 0 HA ALA A 52 17.565 -24.255 -8.754 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.755 -23.649 -6.363 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.433 -24.806 -6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.973 -25.367 -5.953 1.00 0.00 H new ATOM 763 N CYS A 53 20.336 -25.699 -7.789 1.00 0.00 N ATOM 764 CA CYS A 53 21.789 -25.581 -7.800 1.00 0.00 C ATOM 765 C CYS A 53 22.261 -24.783 -9.012 1.00 0.00 C ATOM 766 O CYS A 53 22.755 -23.665 -8.876 1.00 0.00 O ATOM 767 CB CYS A 53 22.435 -26.967 -7.803 1.00 0.00 C ATOM 768 SG CYS A 53 24.094 -27.010 -7.086 1.00 0.00 S ATOM 0 H CYS A 53 19.990 -26.619 -7.518 1.00 0.00 H new ATOM 0 HA CYS A 53 22.092 -25.050 -6.898 1.00 0.00 H new ATOM 0 HB2 CYS A 53 21.795 -27.656 -7.252 1.00 0.00 H new ATOM 0 HB3 CYS A 53 22.485 -27.331 -8.829 1.00 0.00 H new ATOM 0 HG CYS A 53 24.555 -28.225 -7.132 1.00 0.00 H new ATOM 774 N GLU A 54 22.106 -25.368 -10.195 1.00 0.00 N ATOM 775 CA GLU A 54 22.519 -24.713 -11.430 1.00 0.00 C ATOM 776 C GLU A 54 21.729 -23.427 -11.654 1.00 0.00 C ATOM 777 O GLU A 54 22.290 -22.403 -12.045 1.00 0.00 O ATOM 778 CB GLU A 54 22.329 -25.655 -12.622 1.00 0.00 C ATOM 779 CG GLU A 54 22.697 -25.029 -13.957 1.00 0.00 C ATOM 780 CD GLU A 54 24.194 -24.858 -14.127 1.00 0.00 C ATOM 781 OE1 GLU A 54 24.852 -25.816 -14.585 1.00 0.00 O ATOM 782 OE2 GLU A 54 24.708 -23.767 -13.804 1.00 0.00 O ATOM 0 H GLU A 54 21.698 -26.294 -10.324 1.00 0.00 H new ATOM 0 HA GLU A 54 23.575 -24.460 -11.341 1.00 0.00 H new ATOM 0 HB2 GLU A 54 22.936 -26.548 -12.469 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.289 -25.979 -12.656 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.312 -25.652 -14.765 1.00 0.00 H new ATOM 0 HG3 GLU A 54 22.212 -24.057 -14.045 1.00 0.00 H new ATOM 789 N GLN A 55 20.426 -23.489 -11.404 1.00 0.00 N ATOM 790 CA GLN A 55 19.558 -22.329 -11.579 1.00 0.00 C ATOM 791 C GLN A 55 20.153 -21.098 -10.902 1.00 0.00 C ATOM 792 O GLN A 55 20.099 -19.993 -11.443 1.00 0.00 O ATOM 793 CB GLN A 55 18.168 -22.616 -11.011 1.00 0.00 C ATOM 794 CG GLN A 55 17.201 -21.450 -11.153 1.00 0.00 C ATOM 795 CD GLN A 55 16.990 -21.038 -12.596 1.00 0.00 C ATOM 796 OE1 GLN A 55 17.733 -20.219 -13.135 1.00 0.00 O ATOM 797 NE2 GLN A 55 15.972 -21.608 -13.231 1.00 0.00 N ATOM 0 H GLN A 55 19.947 -24.329 -11.080 1.00 0.00 H new ATOM 0 HA GLN A 55 19.472 -22.128 -12.647 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.751 -23.487 -11.516 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.262 -22.874 -9.956 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.242 -21.723 -10.713 1.00 0.00 H new ATOM 0 HG3 GLN A 55 17.580 -20.598 -10.588 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.381 -22.282 -12.745 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.781 -21.371 -14.205 1.00 0.00 H new ATOM 806 N PHE A 56 20.722 -21.296 -9.717 1.00 0.00 N ATOM 807 CA PHE A 56 21.325 -20.202 -8.967 1.00 0.00 C ATOM 808 C PHE A 56 22.775 -19.985 -9.391 1.00 0.00 C ATOM 809 O PHE A 56 23.199 -18.856 -9.636 1.00 0.00 O ATOM 810 CB PHE A 56 21.259 -20.488 -7.465 1.00 0.00 C ATOM 811 CG PHE A 56 19.861 -20.497 -6.917 1.00 0.00 C ATOM 812 CD1 PHE A 56 18.968 -19.489 -7.245 1.00 0.00 C ATOM 813 CD2 PHE A 56 19.439 -21.512 -6.074 1.00 0.00 C ATOM 814 CE1 PHE A 56 17.680 -19.493 -6.744 1.00 0.00 C ATOM 815 CE2 PHE A 56 18.152 -21.522 -5.569 1.00 0.00 C ATOM 816 CZ PHE A 56 17.272 -20.511 -5.903 1.00 0.00 C ATOM 0 H PHE A 56 20.778 -22.204 -9.256 1.00 0.00 H new ATOM 0 HA PHE A 56 20.762 -19.294 -9.183 1.00 0.00 H new ATOM 0 HB2 PHE A 56 21.725 -21.453 -7.266 1.00 0.00 H new ATOM 0 HB3 PHE A 56 21.844 -19.737 -6.934 1.00 0.00 H new ATOM 0 HD1 PHE A 56 19.283 -18.690 -7.900 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.123 -22.304 -5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 56 16.994 -18.702 -7.009 1.00 0.00 H new ATOM 0 HE2 PHE A 56 17.835 -22.320 -4.914 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.267 -20.516 -5.508 1.00 0.00 H new ATOM 904 N GLN A 62 23.340 -12.615 -4.773 1.00 0.00 N ATOM 905 CA GLN A 62 22.504 -11.420 -4.794 1.00 0.00 C ATOM 906 C GLN A 62 21.251 -11.648 -5.633 1.00 0.00 C ATOM 907 O GLN A 62 20.131 -11.568 -5.127 1.00 0.00 O ATOM 908 CB GLN A 62 23.292 -10.230 -5.344 1.00 0.00 C ATOM 909 CG GLN A 62 24.043 -9.452 -4.275 1.00 0.00 C ATOM 910 CD GLN A 62 25.042 -8.473 -4.861 1.00 0.00 C ATOM 911 OE1 GLN A 62 24.905 -8.037 -6.004 1.00 0.00 O ATOM 912 NE2 GLN A 62 26.055 -8.122 -4.078 1.00 0.00 N ATOM 0 HA GLN A 62 22.199 -11.202 -3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 62 24.003 -10.588 -6.088 1.00 0.00 H new ATOM 0 HB3 GLN A 62 22.606 -9.556 -5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 62 23.328 -8.910 -3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 62 24.565 -10.151 -3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 62 26.130 -8.508 -3.137 1.00 0.00 H new ATOM 0 HE22 GLN A 62 26.759 -7.466 -4.418 1.00 0.00 H new ATOM 921 N ASP A 63 21.448 -11.929 -6.916 1.00 0.00 N ATOM 922 CA ASP A 63 20.333 -12.168 -7.826 1.00 0.00 C ATOM 923 C ASP A 63 19.235 -12.974 -7.140 1.00 0.00 C ATOM 924 O ASP A 63 18.081 -12.550 -7.088 1.00 0.00 O ATOM 925 CB ASP A 63 20.817 -12.904 -9.077 1.00 0.00 C ATOM 926 CG ASP A 63 19.766 -12.944 -10.168 1.00 0.00 C ATOM 927 OD1 ASP A 63 18.570 -12.791 -9.844 1.00 0.00 O ATOM 928 OD2 ASP A 63 20.138 -13.128 -11.346 1.00 0.00 O ATOM 0 H ASP A 63 22.369 -11.997 -7.350 1.00 0.00 H new ATOM 0 HA ASP A 63 19.921 -11.202 -8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.714 -12.416 -9.458 1.00 0.00 H new ATOM 0 HB3 ASP A 63 21.098 -13.923 -8.810 1.00 0.00 H new ATOM 933 N ILE A 64 19.602 -14.138 -6.616 1.00 0.00 N ATOM 934 CA ILE A 64 18.649 -15.003 -5.933 1.00 0.00 C ATOM 935 C ILE A 64 17.710 -14.194 -5.045 1.00 0.00 C ATOM 936 O ILE A 64 16.510 -14.107 -5.308 1.00 0.00 O ATOM 937 CB ILE A 64 19.363 -16.063 -5.073 1.00 0.00 C ATOM 938 CG1 ILE A 64 20.264 -16.938 -5.948 1.00 0.00 C ATOM 939 CG2 ILE A 64 18.348 -16.916 -4.330 1.00 0.00 C ATOM 940 CD1 ILE A 64 21.670 -16.401 -6.097 1.00 0.00 C ATOM 0 H ILE A 64 20.553 -14.504 -6.651 1.00 0.00 H new ATOM 0 HA ILE A 64 18.070 -15.506 -6.708 1.00 0.00 H new ATOM 0 HB ILE A 64 19.985 -15.553 -4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 64 20.310 -17.939 -5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.814 -17.034 -6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 64 18.869 -17.660 -3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 64 17.745 -16.281 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 64 17.701 -17.420 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 64 22.251 -17.072 -6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 64 21.635 -15.412 -6.553 1.00 0.00 H new ATOM 0 HD13 ILE A 64 22.139 -16.331 -5.115 1.00 0.00 H new ATOM 952 N LYS A 65 18.264 -13.602 -3.994 1.00 0.00 N ATOM 953 CA LYS A 65 17.478 -12.795 -3.067 1.00 0.00 C ATOM 954 C LYS A 65 16.397 -12.014 -3.807 1.00 0.00 C ATOM 955 O LYS A 65 15.262 -11.917 -3.344 1.00 0.00 O ATOM 956 CB LYS A 65 18.387 -11.829 -2.302 1.00 0.00 C ATOM 957 CG LYS A 65 19.034 -12.446 -1.074 1.00 0.00 C ATOM 958 CD LYS A 65 19.730 -11.397 -0.224 1.00 0.00 C ATOM 959 CE LYS A 65 20.179 -11.971 1.111 1.00 0.00 C ATOM 960 NZ LYS A 65 21.176 -11.093 1.784 1.00 0.00 N ATOM 0 H LYS A 65 19.255 -13.665 -3.762 1.00 0.00 H new ATOM 0 HA LYS A 65 16.995 -13.468 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 65 19.168 -11.470 -2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.805 -10.960 -1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.275 -12.954 -0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 65 19.755 -13.202 -1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 65 20.593 -11.005 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.054 -10.559 -0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.313 -12.102 1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 65 20.612 -12.959 0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 21.457 -11.518 2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 22.013 -10.989 1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 20.755 -10.158 1.956 1.00 0.00 H new ATOM 974 N ASN A 66 16.757 -11.462 -4.961 1.00 0.00 N ATOM 975 CA ASN A 66 15.817 -10.690 -5.766 1.00 0.00 C ATOM 976 C ASN A 66 14.853 -11.611 -6.509 1.00 0.00 C ATOM 977 O ASN A 66 13.666 -11.312 -6.637 1.00 0.00 O ATOM 978 CB ASN A 66 16.571 -9.809 -6.765 1.00 0.00 C ATOM 979 CG ASN A 66 17.302 -8.665 -6.089 1.00 0.00 C ATOM 980 OD1 ASN A 66 16.817 -7.535 -6.060 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.477 -8.955 -5.542 1.00 0.00 N ATOM 0 H ASN A 66 17.693 -11.535 -5.360 1.00 0.00 H new ATOM 0 HA ASN A 66 15.240 -10.054 -5.095 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.287 -10.419 -7.316 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.868 -9.407 -7.494 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.015 -8.226 -5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.841 -9.907 -5.590 1.00 0.00 H new ATOM 988 N VAL A 67 15.373 -12.733 -6.996 1.00 0.00 N ATOM 989 CA VAL A 67 14.560 -13.699 -7.725 1.00 0.00 C ATOM 990 C VAL A 67 13.436 -14.242 -6.850 1.00 0.00 C ATOM 991 O VAL A 67 12.258 -14.122 -7.187 1.00 0.00 O ATOM 992 CB VAL A 67 15.411 -14.876 -8.237 1.00 0.00 C ATOM 993 CG1 VAL A 67 14.543 -15.882 -8.976 1.00 0.00 C ATOM 994 CG2 VAL A 67 16.534 -14.372 -9.131 1.00 0.00 C ATOM 0 H VAL A 67 16.354 -12.995 -6.899 1.00 0.00 H new ATOM 0 HA VAL A 67 14.131 -13.172 -8.578 1.00 0.00 H new ATOM 0 HB VAL A 67 15.857 -15.378 -7.379 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.162 -16.706 -9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.778 -16.267 -8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.066 -15.395 -9.827 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.125 -15.217 -9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 67 16.110 -13.844 -9.985 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.173 -13.693 -8.565 1.00 0.00 H new ATOM 1004 N VAL A 68 13.808 -14.839 -5.722 1.00 0.00 N ATOM 1005 CA VAL A 68 12.831 -15.400 -4.797 1.00 0.00 C ATOM 1006 C VAL A 68 11.835 -14.340 -4.340 1.00 0.00 C ATOM 1007 O VAL A 68 10.643 -14.613 -4.196 1.00 0.00 O ATOM 1008 CB VAL A 68 13.515 -16.011 -3.559 1.00 0.00 C ATOM 1009 CG1 VAL A 68 12.477 -16.509 -2.566 1.00 0.00 C ATOM 1010 CG2 VAL A 68 14.453 -17.137 -3.972 1.00 0.00 C ATOM 0 H VAL A 68 14.779 -14.946 -5.427 1.00 0.00 H new ATOM 0 HA VAL A 68 12.301 -16.186 -5.336 1.00 0.00 H new ATOM 0 HB VAL A 68 14.106 -15.235 -3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.979 -16.937 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.849 -15.677 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.857 -17.271 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.928 -17.558 -3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.885 -17.914 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.218 -16.746 -4.643 1.00 0.00 H new ATOM 1020 N LEU A 69 12.331 -13.129 -4.113 1.00 0.00 N ATOM 1021 CA LEU A 69 11.485 -12.025 -3.673 1.00 0.00 C ATOM 1022 C LEU A 69 10.409 -11.718 -4.709 1.00 0.00 C ATOM 1023 O LEU A 69 9.230 -11.594 -4.375 1.00 0.00 O ATOM 1024 CB LEU A 69 12.332 -10.778 -3.416 1.00 0.00 C ATOM 1025 CG LEU A 69 11.572 -9.532 -2.959 1.00 0.00 C ATOM 1026 CD1 LEU A 69 10.936 -9.765 -1.597 1.00 0.00 C ATOM 1027 CD2 LEU A 69 12.499 -8.326 -2.919 1.00 0.00 C ATOM 0 H LEU A 69 13.315 -12.886 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 69 10.996 -12.322 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.079 -11.020 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.871 -10.535 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 69 10.778 -9.330 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.400 -8.868 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.240 -10.601 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.713 -9.993 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.941 -7.449 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.315 -8.517 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.906 -8.147 -3.914 1.00 0.00 H new ATOM 1039 N GLN A 70 10.821 -11.599 -5.967 1.00 0.00 N ATOM 1040 CA GLN A 70 9.891 -11.308 -7.051 1.00 0.00 C ATOM 1041 C GLN A 70 8.769 -12.340 -7.098 1.00 0.00 C ATOM 1042 O GLN A 70 7.635 -12.026 -7.460 1.00 0.00 O ATOM 1043 CB GLN A 70 10.629 -11.278 -8.390 1.00 0.00 C ATOM 1044 CG GLN A 70 11.505 -10.048 -8.575 1.00 0.00 C ATOM 1045 CD GLN A 70 10.752 -8.882 -9.183 1.00 0.00 C ATOM 1046 OE1 GLN A 70 10.298 -8.950 -10.326 1.00 0.00 O ATOM 1047 NE2 GLN A 70 10.615 -7.802 -8.422 1.00 0.00 N ATOM 0 H GLN A 70 11.793 -11.700 -6.260 1.00 0.00 H new ATOM 0 HA GLN A 70 9.451 -10.328 -6.865 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.248 -12.171 -8.474 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.899 -11.319 -9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.913 -9.749 -7.610 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.351 -10.302 -9.214 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.007 -7.788 -7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.118 -6.986 -8.779 1.00 0.00 H new ATOM 1056 N THR A 71 9.094 -13.576 -6.731 1.00 0.00 N ATOM 1057 CA THR A 71 8.115 -14.657 -6.733 1.00 0.00 C ATOM 1058 C THR A 71 6.960 -14.353 -5.785 1.00 0.00 C ATOM 1059 O THR A 71 5.813 -14.216 -6.212 1.00 0.00 O ATOM 1060 CB THR A 71 8.757 -15.997 -6.329 1.00 0.00 C ATOM 1061 OG1 THR A 71 9.829 -16.316 -7.225 1.00 0.00 O ATOM 1062 CG2 THR A 71 7.727 -17.117 -6.345 1.00 0.00 C ATOM 0 H THR A 71 10.028 -13.853 -6.429 1.00 0.00 H new ATOM 0 HA THR A 71 7.735 -14.738 -7.751 1.00 0.00 H new ATOM 0 HB THR A 71 9.147 -15.897 -5.316 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.541 -15.649 -7.133 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.204 -18.054 -6.056 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.927 -16.885 -5.642 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.312 -17.215 -7.348 1.00 0.00 H new ATOM 1070 N LEU A 72 7.270 -14.249 -4.498 1.00 0.00 N ATOM 1071 CA LEU A 72 6.257 -13.961 -3.488 1.00 0.00 C ATOM 1072 C LEU A 72 5.618 -12.598 -3.732 1.00 0.00 C ATOM 1073 O LEU A 72 4.404 -12.439 -3.604 1.00 0.00 O ATOM 1074 CB LEU A 72 6.875 -14.005 -2.089 1.00 0.00 C ATOM 1075 CG LEU A 72 7.473 -15.344 -1.662 1.00 0.00 C ATOM 1076 CD1 LEU A 72 8.276 -15.187 -0.380 1.00 0.00 C ATOM 1077 CD2 LEU A 72 6.377 -16.385 -1.481 1.00 0.00 C ATOM 0 H LEU A 72 8.214 -14.360 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 72 5.481 -14.724 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.656 -13.247 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.109 -13.725 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 72 8.146 -15.685 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.694 -16.152 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.085 -14.475 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.625 -14.822 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.822 -17.332 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.679 -16.049 -0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.844 -16.520 -2.422 1.00 0.00 H new ATOM 1089 N GLU A 73 6.443 -11.617 -4.085 1.00 0.00 N ATOM 1090 CA GLU A 73 5.957 -10.268 -4.348 1.00 0.00 C ATOM 1091 C GLU A 73 4.907 -10.274 -5.455 1.00 0.00 C ATOM 1092 O GLU A 73 3.752 -9.914 -5.232 1.00 0.00 O ATOM 1093 CB GLU A 73 7.119 -9.350 -4.736 1.00 0.00 C ATOM 1094 CG GLU A 73 7.815 -8.713 -3.545 1.00 0.00 C ATOM 1095 CD GLU A 73 8.798 -7.634 -3.954 1.00 0.00 C ATOM 1096 OE1 GLU A 73 9.612 -7.887 -4.867 1.00 0.00 O ATOM 1097 OE2 GLU A 73 8.753 -6.535 -3.361 1.00 0.00 O ATOM 0 H GLU A 73 7.451 -11.731 -4.195 1.00 0.00 H new ATOM 0 HA GLU A 73 5.495 -9.891 -3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.848 -9.923 -5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.746 -8.563 -5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.067 -8.284 -2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.341 -9.484 -2.981 1.00 0.00 H new ATOM 1104 N GLY A 74 5.318 -10.686 -6.651 1.00 0.00 N ATOM 1105 CA GLY A 74 4.403 -10.730 -7.776 1.00 0.00 C ATOM 1106 C GLY A 74 3.030 -11.241 -7.385 1.00 0.00 C ATOM 1107 O GLY A 74 2.014 -10.626 -7.713 1.00 0.00 O ATOM 0 H GLY A 74 6.269 -10.990 -6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.308 -9.732 -8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.818 -11.371 -8.554 1.00 0.00 H new ATOM 1111 N HIS A 75 2.997 -12.369 -6.683 1.00 0.00 N ATOM 1112 CA HIS A 75 1.738 -12.963 -6.248 1.00 0.00 C ATOM 1113 C HIS A 75 0.961 -11.998 -5.358 1.00 0.00 C ATOM 1114 O HIS A 75 -0.251 -11.837 -5.508 1.00 0.00 O ATOM 1115 CB HIS A 75 1.997 -14.270 -5.499 1.00 0.00 C ATOM 1116 CG HIS A 75 2.377 -15.409 -6.396 1.00 0.00 C ATOM 1117 ND1 HIS A 75 1.718 -15.692 -7.573 1.00 0.00 N ATOM 1118 CD2 HIS A 75 3.356 -16.337 -6.282 1.00 0.00 C ATOM 1119 CE1 HIS A 75 2.274 -16.746 -8.144 1.00 0.00 C ATOM 1120 NE2 HIS A 75 3.270 -17.156 -7.381 1.00 0.00 N ATOM 0 H HIS A 75 3.828 -12.890 -6.403 1.00 0.00 H new ATOM 0 HA HIS A 75 1.140 -13.174 -7.134 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.792 -14.111 -4.771 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.102 -14.542 -4.939 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.071 -16.418 -5.477 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.966 -17.196 -9.076 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.877 -17.952 -7.576 1.00 0.00 H new ATOM 1129 N LEU A 76 1.666 -11.360 -4.430 1.00 0.00 N ATOM 1130 CA LEU A 76 1.043 -10.412 -3.513 1.00 0.00 C ATOM 1131 C LEU A 76 0.166 -9.419 -4.270 1.00 0.00 C ATOM 1132 O LEU A 76 -1.015 -9.258 -3.964 1.00 0.00 O ATOM 1133 CB LEU A 76 2.113 -9.661 -2.718 1.00 0.00 C ATOM 1134 CG LEU A 76 1.661 -9.055 -1.390 1.00 0.00 C ATOM 1135 CD1 LEU A 76 1.573 -10.128 -0.315 1.00 0.00 C ATOM 1136 CD2 LEU A 76 2.608 -7.944 -0.961 1.00 0.00 C ATOM 0 H LEU A 76 2.669 -11.482 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 76 0.413 -10.973 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.937 -10.346 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.507 -8.861 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 76 0.668 -8.626 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.250 -9.677 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.854 -10.889 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.552 -10.587 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.271 -7.524 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.613 -8.349 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.620 -7.162 -1.721 1.00 0.00 H new ATOM 1148 N ARG A 77 0.752 -8.757 -5.263 1.00 0.00 N ATOM 1149 CA ARG A 77 0.024 -7.780 -6.065 1.00 0.00 C ATOM 1150 C ARG A 77 -1.329 -8.335 -6.502 1.00 0.00 C ATOM 1151 O ARG A 77 -2.375 -7.774 -6.179 1.00 0.00 O ATOM 1152 CB ARG A 77 0.845 -7.385 -7.293 1.00 0.00 C ATOM 1153 CG ARG A 77 1.759 -6.193 -7.057 1.00 0.00 C ATOM 1154 CD ARG A 77 2.078 -5.469 -8.356 1.00 0.00 C ATOM 1155 NE ARG A 77 3.209 -6.071 -9.055 1.00 0.00 N ATOM 1156 CZ ARG A 77 4.478 -5.801 -8.770 1.00 0.00 C ATOM 1157 NH1 ARG A 77 4.775 -4.942 -7.804 1.00 0.00 N ATOM 1158 NH2 ARG A 77 5.453 -6.389 -9.451 1.00 0.00 N ATOM 0 H ARG A 77 1.728 -8.879 -5.531 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.146 -6.896 -5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.447 -8.238 -7.606 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.167 -7.155 -8.115 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.284 -5.501 -6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.685 -6.530 -6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.202 -5.484 -9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.299 -4.423 -8.143 1.00 0.00 H new ATOM 0 HE ARG A 77 3.014 -6.736 -9.804 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.028 -4.487 -7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.750 -4.736 -7.587 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.229 -7.050 -10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.427 -6.180 -9.231 1.00 0.00 H new ATOM 1172 N SER A 78 -1.299 -9.442 -7.237 1.00 0.00 N ATOM 1173 CA SER A 78 -2.522 -10.071 -7.722 1.00 0.00 C ATOM 1174 C SER A 78 -3.488 -10.339 -6.571 1.00 0.00 C ATOM 1175 O SER A 78 -4.643 -9.914 -6.604 1.00 0.00 O ATOM 1176 CB SER A 78 -2.196 -11.378 -8.446 1.00 0.00 C ATOM 1177 OG SER A 78 -3.168 -11.670 -9.435 1.00 0.00 O ATOM 0 H SER A 78 -0.441 -9.922 -7.510 1.00 0.00 H new ATOM 0 HA SER A 78 -3.001 -9.387 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.212 -11.305 -8.909 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.149 -12.195 -7.725 1.00 0.00 H new ATOM 0 HG SER A 78 -2.936 -12.509 -9.884 1.00 0.00 H new ATOM 1183 N ILE A 79 -3.004 -11.047 -5.556 1.00 0.00 N ATOM 1184 CA ILE A 79 -3.824 -11.372 -4.394 1.00 0.00 C ATOM 1185 C ILE A 79 -4.451 -10.118 -3.796 1.00 0.00 C ATOM 1186 O ILE A 79 -5.564 -10.158 -3.270 1.00 0.00 O ATOM 1187 CB ILE A 79 -3.001 -12.089 -3.308 1.00 0.00 C ATOM 1188 CG1 ILE A 79 -2.449 -13.412 -3.845 1.00 0.00 C ATOM 1189 CG2 ILE A 79 -3.851 -12.328 -2.070 1.00 0.00 C ATOM 1190 CD1 ILE A 79 -3.520 -14.435 -4.148 1.00 0.00 C ATOM 0 H ILE A 79 -2.050 -11.406 -5.514 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.613 -12.040 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.161 -11.452 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.878 -13.216 -4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.755 -13.830 -3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.255 -12.836 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.200 -11.373 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.709 -12.947 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.056 -15.347 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.076 -14.660 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.201 -14.037 -4.900 1.00 0.00 H new ATOM 1202 N LEU A 80 -3.731 -9.005 -3.882 1.00 0.00 N ATOM 1203 CA LEU A 80 -4.218 -7.736 -3.350 1.00 0.00 C ATOM 1204 C LEU A 80 -5.293 -7.143 -4.255 1.00 0.00 C ATOM 1205 O LEU A 80 -6.305 -6.631 -3.781 1.00 0.00 O ATOM 1206 CB LEU A 80 -3.061 -6.748 -3.197 1.00 0.00 C ATOM 1207 CG LEU A 80 -3.327 -5.535 -2.304 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -2.041 -5.067 -1.642 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -3.955 -4.408 -3.110 1.00 0.00 C ATOM 0 H LEU A 80 -2.809 -8.955 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.658 -7.925 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.201 -7.286 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.782 -6.390 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.027 -5.830 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.250 -4.203 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.632 -5.872 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.317 -4.789 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.138 -3.553 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.279 -4.115 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.899 -4.748 -3.536 1.00 0.00 H new ATOM 1221 N GLY A 81 -5.064 -7.218 -5.563 1.00 0.00 N ATOM 1222 CA GLY A 81 -6.023 -6.687 -6.515 1.00 0.00 C ATOM 1223 C GLY A 81 -7.410 -7.268 -6.327 1.00 0.00 C ATOM 1224 O GLY A 81 -8.374 -6.536 -6.101 1.00 0.00 O ATOM 0 H GLY A 81 -4.232 -7.636 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.070 -5.603 -6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.679 -6.897 -7.528 1.00 0.00 H new ATOM 1228 N THR A 82 -7.513 -8.590 -6.423 1.00 0.00 N ATOM 1229 CA THR A 82 -8.793 -9.270 -6.265 1.00 0.00 C ATOM 1230 C THR A 82 -9.473 -8.867 -4.963 1.00 0.00 C ATOM 1231 O THR A 82 -10.698 -8.912 -4.849 1.00 0.00 O ATOM 1232 CB THR A 82 -8.623 -10.801 -6.290 1.00 0.00 C ATOM 1233 OG1 THR A 82 -9.895 -11.438 -6.131 1.00 0.00 O ATOM 1234 CG2 THR A 82 -7.679 -11.257 -5.188 1.00 0.00 C ATOM 0 H THR A 82 -6.726 -9.211 -6.609 1.00 0.00 H new ATOM 0 HA THR A 82 -9.417 -8.967 -7.106 1.00 0.00 H new ATOM 0 HB THR A 82 -8.196 -11.082 -7.252 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.778 -12.411 -6.150 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.574 -12.341 -5.225 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.703 -10.793 -5.330 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.083 -10.964 -4.219 1.00 0.00 H new ATOM 1242 N LEU A 83 -8.671 -8.472 -3.980 1.00 0.00 N ATOM 1243 CA LEU A 83 -9.196 -8.059 -2.683 1.00 0.00 C ATOM 1244 C LEU A 83 -9.313 -6.540 -2.600 1.00 0.00 C ATOM 1245 O LEU A 83 -8.475 -5.812 -3.132 1.00 0.00 O ATOM 1246 CB LEU A 83 -8.295 -8.573 -1.558 1.00 0.00 C ATOM 1247 CG LEU A 83 -8.156 -10.093 -1.452 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -7.058 -10.460 -0.467 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -9.479 -10.721 -1.037 1.00 0.00 C ATOM 0 H LEU A 83 -7.655 -8.429 -4.056 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.191 -8.489 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.301 -8.146 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.680 -8.196 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.882 -10.484 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.973 -11.545 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.110 -10.041 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.302 -10.058 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.362 -11.802 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.782 -10.325 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.242 -10.486 -1.779 1.00 0.00 H new ATOM 1261 N THR A 84 -10.359 -6.068 -1.929 1.00 0.00 N ATOM 1262 CA THR A 84 -10.586 -4.637 -1.776 1.00 0.00 C ATOM 1263 C THR A 84 -9.922 -4.107 -0.511 1.00 0.00 C ATOM 1264 O THR A 84 -9.715 -4.847 0.450 1.00 0.00 O ATOM 1265 CB THR A 84 -12.090 -4.307 -1.729 1.00 0.00 C ATOM 1266 OG1 THR A 84 -12.687 -4.907 -0.574 1.00 0.00 O ATOM 1267 CG2 THR A 84 -12.792 -4.805 -2.985 1.00 0.00 C ATOM 0 H THR A 84 -11.062 -6.657 -1.483 1.00 0.00 H new ATOM 0 HA THR A 84 -10.143 -4.153 -2.646 1.00 0.00 H new ATOM 0 HB THR A 84 -12.201 -3.224 -1.674 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.643 -4.691 -0.550 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.853 -4.561 -2.930 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.354 -4.326 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.672 -5.885 -3.065 1.00 0.00 H new ATOM 1275 N VAL A 85 -9.592 -2.819 -0.515 1.00 0.00 N ATOM 1276 CA VAL A 85 -8.952 -2.189 0.634 1.00 0.00 C ATOM 1277 C VAL A 85 -9.573 -2.671 1.940 1.00 0.00 C ATOM 1278 O VAL A 85 -8.865 -2.976 2.899 1.00 0.00 O ATOM 1279 CB VAL A 85 -9.058 -0.654 0.563 1.00 0.00 C ATOM 1280 CG1 VAL A 85 -8.640 -0.029 1.885 1.00 0.00 C ATOM 1281 CG2 VAL A 85 -8.214 -0.114 -0.583 1.00 0.00 C ATOM 0 H VAL A 85 -9.757 -2.191 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.900 -2.474 0.608 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.098 -0.387 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.721 1.056 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.290 -0.392 2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.608 -0.302 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.301 0.972 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.171 -0.390 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.565 -0.537 -1.524 1.00 0.00 H new ATOM 1291 N GLU A 86 -10.900 -2.738 1.969 1.00 0.00 N ATOM 1292 CA GLU A 86 -11.616 -3.183 3.158 1.00 0.00 C ATOM 1293 C GLU A 86 -11.172 -4.583 3.569 1.00 0.00 C ATOM 1294 O GLU A 86 -10.713 -4.795 4.692 1.00 0.00 O ATOM 1295 CB GLU A 86 -13.126 -3.168 2.908 1.00 0.00 C ATOM 1296 CG GLU A 86 -13.717 -1.771 2.830 1.00 0.00 C ATOM 1297 CD GLU A 86 -15.189 -1.739 3.190 1.00 0.00 C ATOM 1298 OE1 GLU A 86 -15.975 -2.458 2.539 1.00 0.00 O ATOM 1299 OE2 GLU A 86 -15.555 -0.995 4.125 1.00 0.00 O ATOM 0 H GLU A 86 -11.501 -2.490 1.183 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.383 -2.494 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.337 -3.695 1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.623 -3.719 3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.168 -1.111 3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.585 -1.381 1.821 1.00 0.00 H new ATOM 1306 N GLN A 87 -11.310 -5.535 2.652 1.00 0.00 N ATOM 1307 CA GLN A 87 -10.924 -6.915 2.920 1.00 0.00 C ATOM 1308 C GLN A 87 -9.494 -6.989 3.446 1.00 0.00 C ATOM 1309 O GLN A 87 -9.211 -7.712 4.401 1.00 0.00 O ATOM 1310 CB GLN A 87 -11.056 -7.759 1.650 1.00 0.00 C ATOM 1311 CG GLN A 87 -12.490 -8.142 1.321 1.00 0.00 C ATOM 1312 CD GLN A 87 -12.584 -9.111 0.159 1.00 0.00 C ATOM 1313 OE1 GLN A 87 -11.988 -8.892 -0.897 1.00 0.00 O ATOM 1314 NE2 GLN A 87 -13.333 -10.190 0.347 1.00 0.00 N ATOM 0 H GLN A 87 -11.686 -5.376 1.717 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.594 -7.311 3.684 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.635 -7.206 0.811 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.463 -8.667 1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.953 -8.589 2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.057 -7.242 1.085 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.809 -10.331 1.238 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.433 -10.878 -0.399 1.00 0.00 H new ATOM 1323 N ILE A 88 -8.599 -6.235 2.818 1.00 0.00 N ATOM 1324 CA ILE A 88 -7.199 -6.214 3.223 1.00 0.00 C ATOM 1325 C ILE A 88 -7.065 -5.963 4.721 1.00 0.00 C ATOM 1326 O ILE A 88 -6.549 -6.803 5.460 1.00 0.00 O ATOM 1327 CB ILE A 88 -6.407 -5.136 2.460 1.00 0.00 C ATOM 1328 CG1 ILE A 88 -6.483 -5.386 0.953 1.00 0.00 C ATOM 1329 CG2 ILE A 88 -4.959 -5.112 2.927 1.00 0.00 C ATOM 1330 CD1 ILE A 88 -6.011 -4.214 0.121 1.00 0.00 C ATOM 0 H ILE A 88 -8.818 -5.630 2.026 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.786 -7.194 2.982 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.852 -4.163 2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.881 -6.261 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.513 -5.621 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.412 -4.345 2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.924 -4.890 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.502 -6.084 2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.093 -4.463 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.628 -3.342 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.971 -3.992 0.362 1.00 0.00 H new ATOM 1342 N TYR A 89 -7.533 -4.801 5.166 1.00 0.00 N ATOM 1343 CA TYR A 89 -7.466 -4.439 6.576 1.00 0.00 C ATOM 1344 C TYR A 89 -8.252 -5.428 7.432 1.00 0.00 C ATOM 1345 O TYR A 89 -7.748 -5.937 8.432 1.00 0.00 O ATOM 1346 CB TYR A 89 -8.005 -3.024 6.787 1.00 0.00 C ATOM 1347 CG TYR A 89 -7.091 -1.941 6.257 1.00 0.00 C ATOM 1348 CD1 TYR A 89 -5.854 -1.702 6.842 1.00 0.00 C ATOM 1349 CD2 TYR A 89 -7.464 -1.159 5.171 1.00 0.00 C ATOM 1350 CE1 TYR A 89 -5.016 -0.714 6.363 1.00 0.00 C ATOM 1351 CE2 TYR A 89 -6.632 -0.171 4.683 1.00 0.00 C ATOM 1352 CZ TYR A 89 -5.409 0.048 5.283 1.00 0.00 C ATOM 1353 OH TYR A 89 -4.576 1.033 4.801 1.00 0.00 O ATOM 0 H TYR A 89 -7.963 -4.094 4.569 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.421 -4.472 6.883 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.976 -2.938 6.300 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.167 -2.861 7.853 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.542 -2.299 7.686 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.421 -1.327 4.700 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.059 -0.539 6.832 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.937 0.427 3.837 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.001 1.476 4.037 1.00 0.00 H new ATOM 1363 N GLN A 90 -9.490 -5.694 7.028 1.00 0.00 N ATOM 1364 CA GLN A 90 -10.347 -6.621 7.757 1.00 0.00 C ATOM 1365 C GLN A 90 -9.534 -7.779 8.328 1.00 0.00 C ATOM 1366 O GLN A 90 -9.415 -7.926 9.544 1.00 0.00 O ATOM 1367 CB GLN A 90 -11.448 -7.159 6.841 1.00 0.00 C ATOM 1368 CG GLN A 90 -12.689 -6.281 6.802 1.00 0.00 C ATOM 1369 CD GLN A 90 -13.949 -7.066 6.491 1.00 0.00 C ATOM 1370 OE1 GLN A 90 -14.015 -8.274 6.720 1.00 0.00 O ATOM 1371 NE2 GLN A 90 -14.957 -6.382 5.963 1.00 0.00 N ATOM 0 H GLN A 90 -9.921 -5.281 6.201 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.805 -6.079 8.584 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.052 -7.259 5.830 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.730 -8.158 7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.805 -5.780 7.763 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.555 -5.503 6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.859 -5.382 5.790 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -15.829 -6.857 5.731 1.00 0.00 H new ATOM 1380 N ASP A 91 -8.978 -8.599 7.443 1.00 0.00 N ATOM 1381 CA ASP A 91 -8.177 -9.744 7.859 1.00 0.00 C ATOM 1382 C ASP A 91 -6.807 -9.721 7.186 1.00 0.00 C ATOM 1383 O ASP A 91 -6.684 -10.014 5.998 1.00 0.00 O ATOM 1384 CB ASP A 91 -8.900 -11.048 7.524 1.00 0.00 C ATOM 1385 CG ASP A 91 -10.405 -10.930 7.667 1.00 0.00 C ATOM 1386 OD1 ASP A 91 -11.039 -10.320 6.780 1.00 0.00 O ATOM 1387 OD2 ASP A 91 -10.948 -11.447 8.666 1.00 0.00 O ATOM 0 H ASP A 91 -9.067 -8.492 6.433 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.034 -9.684 8.938 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.657 -11.343 6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.537 -11.840 8.179 1.00 0.00 H new ATOM 1392 N ARG A 92 -5.782 -9.369 7.956 1.00 0.00 N ATOM 1393 CA ARG A 92 -4.423 -9.305 7.435 1.00 0.00 C ATOM 1394 C ARG A 92 -3.810 -10.699 7.340 1.00 0.00 C ATOM 1395 O ARG A 92 -3.267 -11.081 6.303 1.00 0.00 O ATOM 1396 CB ARG A 92 -3.553 -8.415 8.325 1.00 0.00 C ATOM 1397 CG ARG A 92 -3.750 -6.928 8.077 1.00 0.00 C ATOM 1398 CD ARG A 92 -2.639 -6.106 8.710 1.00 0.00 C ATOM 1399 NE ARG A 92 -2.705 -4.701 8.316 1.00 0.00 N ATOM 1400 CZ ARG A 92 -3.417 -3.789 8.967 1.00 0.00 C ATOM 1401 NH1 ARG A 92 -4.121 -4.131 10.036 1.00 0.00 N ATOM 1402 NH2 ARG A 92 -3.427 -2.529 8.547 1.00 0.00 N ATOM 0 H ARG A 92 -5.868 -9.124 8.942 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.466 -8.876 6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.774 -8.633 9.370 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.505 -8.666 8.162 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.779 -6.738 7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.712 -6.615 8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.705 -6.182 9.795 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.673 -6.519 8.420 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.175 -4.405 7.496 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.117 -5.098 10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.667 -3.428 10.534 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.887 -2.262 7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.974 -1.829 9.048 1.00 0.00 H new ATOM 1416 N ASP A 93 -3.902 -11.456 8.429 1.00 0.00 N ATOM 1417 CA ASP A 93 -3.359 -12.808 8.468 1.00 0.00 C ATOM 1418 C ASP A 93 -3.748 -13.587 7.216 1.00 0.00 C ATOM 1419 O ASP A 93 -2.896 -14.174 6.550 1.00 0.00 O ATOM 1420 CB ASP A 93 -3.853 -13.543 9.715 1.00 0.00 C ATOM 1421 CG ASP A 93 -3.067 -14.810 9.990 1.00 0.00 C ATOM 1422 OD1 ASP A 93 -1.832 -14.720 10.147 1.00 0.00 O ATOM 1423 OD2 ASP A 93 -3.688 -15.893 10.046 1.00 0.00 O ATOM 0 H ASP A 93 -4.348 -11.155 9.296 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.272 -12.735 8.505 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.780 -12.880 10.577 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.907 -13.792 9.593 1.00 0.00 H new ATOM 1428 N GLN A 94 -5.040 -13.588 6.903 1.00 0.00 N ATOM 1429 CA GLN A 94 -5.540 -14.297 5.731 1.00 0.00 C ATOM 1430 C GLN A 94 -4.893 -13.766 4.456 1.00 0.00 C ATOM 1431 O GLN A 94 -4.296 -14.522 3.690 1.00 0.00 O ATOM 1432 CB GLN A 94 -7.062 -14.162 5.639 1.00 0.00 C ATOM 1433 CG GLN A 94 -7.647 -14.740 4.361 1.00 0.00 C ATOM 1434 CD GLN A 94 -9.054 -15.272 4.552 1.00 0.00 C ATOM 1435 OE1 GLN A 94 -9.732 -14.933 5.524 1.00 0.00 O ATOM 1436 NE2 GLN A 94 -9.502 -16.109 3.624 1.00 0.00 N ATOM 0 H GLN A 94 -5.758 -13.107 7.444 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.281 -15.350 5.836 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.515 -14.662 6.495 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.330 -13.108 5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.655 -13.970 3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.004 -15.544 4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.907 -16.363 2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.442 -16.498 3.699 1.00 0.00 H new ATOM 1445 N PHE A 95 -5.017 -12.461 4.234 1.00 0.00 N ATOM 1446 CA PHE A 95 -4.445 -11.829 3.052 1.00 0.00 C ATOM 1447 C PHE A 95 -3.064 -12.399 2.744 1.00 0.00 C ATOM 1448 O PHE A 95 -2.759 -12.733 1.599 1.00 0.00 O ATOM 1449 CB PHE A 95 -4.352 -10.316 3.251 1.00 0.00 C ATOM 1450 CG PHE A 95 -3.558 -9.618 2.183 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -3.773 -9.903 0.843 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -2.597 -8.679 2.518 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -3.046 -9.263 -0.141 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -1.866 -8.035 1.537 1.00 0.00 C ATOM 1455 CZ PHE A 95 -2.089 -8.328 0.206 1.00 0.00 C ATOM 0 H PHE A 95 -5.509 -11.821 4.858 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.101 -12.037 2.207 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.359 -9.898 3.276 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.899 -10.112 4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.518 -10.634 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.416 -8.447 3.557 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.225 -9.493 -1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.121 -7.303 1.811 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.517 -7.828 -0.562 1.00 0.00 H new ATOM 1465 N ALA A 96 -2.232 -12.508 3.775 1.00 0.00 N ATOM 1466 CA ALA A 96 -0.884 -13.038 3.616 1.00 0.00 C ATOM 1467 C ALA A 96 -0.914 -14.529 3.293 1.00 0.00 C ATOM 1468 O ALA A 96 -0.094 -15.025 2.521 1.00 0.00 O ATOM 1469 CB ALA A 96 -0.066 -12.786 4.874 1.00 0.00 C ATOM 0 H ALA A 96 -2.468 -12.236 4.729 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.414 -12.521 2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.939 -13.187 4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.007 -11.714 5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.543 -13.276 5.723 1.00 0.00 H new ATOM 1475 N LYS A 97 -1.866 -15.239 3.891 1.00 0.00 N ATOM 1476 CA LYS A 97 -2.004 -16.673 3.667 1.00 0.00 C ATOM 1477 C LYS A 97 -2.288 -16.970 2.198 1.00 0.00 C ATOM 1478 O LYS A 97 -1.662 -17.845 1.599 1.00 0.00 O ATOM 1479 CB LYS A 97 -3.128 -17.239 4.538 1.00 0.00 C ATOM 1480 CG LYS A 97 -3.367 -18.725 4.333 1.00 0.00 C ATOM 1481 CD LYS A 97 -4.724 -19.151 4.867 1.00 0.00 C ATOM 1482 CE LYS A 97 -4.693 -19.346 6.376 1.00 0.00 C ATOM 1483 NZ LYS A 97 -3.986 -20.600 6.758 1.00 0.00 N ATOM 0 H LYS A 97 -2.553 -14.844 4.534 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.063 -17.150 3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.890 -17.059 5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.050 -16.698 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.302 -18.962 3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.583 -19.293 4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.469 -18.398 4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.031 -20.079 4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.199 -18.494 6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.713 -19.372 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.159 -20.803 7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.340 -21.388 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.965 -20.485 6.599 1.00 0.00 H new ATOM 1497 N LEU A 98 -3.232 -16.234 1.622 1.00 0.00 N ATOM 1498 CA LEU A 98 -3.597 -16.417 0.222 1.00 0.00 C ATOM 1499 C LEU A 98 -2.368 -16.329 -0.678 1.00 0.00 C ATOM 1500 O LEU A 98 -2.354 -16.872 -1.782 1.00 0.00 O ATOM 1501 CB LEU A 98 -4.627 -15.367 -0.199 1.00 0.00 C ATOM 1502 CG LEU A 98 -6.090 -15.716 0.075 1.00 0.00 C ATOM 1503 CD1 LEU A 98 -6.356 -15.767 1.572 1.00 0.00 C ATOM 1504 CD2 LEU A 98 -7.014 -14.709 -0.598 1.00 0.00 C ATOM 0 H LEU A 98 -3.759 -15.505 2.103 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.034 -17.410 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.395 -14.433 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.512 -15.182 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.292 -16.702 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.402 -16.017 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.720 -16.526 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.136 -14.795 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.051 -14.973 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.810 -13.711 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.843 -14.721 -1.674 1.00 0.00 H new ATOM 1516 N VAL A 99 -1.336 -15.643 -0.195 1.00 0.00 N ATOM 1517 CA VAL A 99 -0.101 -15.488 -0.953 1.00 0.00 C ATOM 1518 C VAL A 99 0.811 -16.696 -0.775 1.00 0.00 C ATOM 1519 O VAL A 99 1.102 -17.413 -1.732 1.00 0.00 O ATOM 1520 CB VAL A 99 0.660 -14.216 -0.530 1.00 0.00 C ATOM 1521 CG1 VAL A 99 1.893 -14.019 -1.399 1.00 0.00 C ATOM 1522 CG2 VAL A 99 -0.251 -13.002 -0.599 1.00 0.00 C ATOM 0 H VAL A 99 -1.332 -15.186 0.717 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.383 -15.403 -2.003 1.00 0.00 H new ATOM 0 HB VAL A 99 0.988 -14.336 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.418 -13.116 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.554 -14.879 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.591 -13.920 -2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.303 -12.113 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.611 -12.875 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.099 -13.145 0.070 1.00 0.00 H new ATOM 1532 N ARG A 100 1.257 -16.917 0.458 1.00 0.00 N ATOM 1533 CA ARG A 100 2.135 -18.039 0.763 1.00 0.00 C ATOM 1534 C ARG A 100 1.545 -19.348 0.245 1.00 0.00 C ATOM 1535 O ARG A 100 2.276 -20.285 -0.076 1.00 0.00 O ATOM 1536 CB ARG A 100 2.371 -18.135 2.271 1.00 0.00 C ATOM 1537 CG ARG A 100 1.374 -19.029 2.988 1.00 0.00 C ATOM 1538 CD ARG A 100 1.746 -19.219 4.450 1.00 0.00 C ATOM 1539 NE ARG A 100 1.431 -18.040 5.253 1.00 0.00 N ATOM 1540 CZ ARG A 100 1.205 -18.081 6.561 1.00 0.00 C ATOM 1541 NH1 ARG A 100 1.262 -19.235 7.212 1.00 0.00 N ATOM 1542 NH2 ARG A 100 0.924 -16.965 7.222 1.00 0.00 N ATOM 0 H ARG A 100 1.024 -16.333 1.261 1.00 0.00 H new ATOM 0 HA ARG A 100 3.088 -17.867 0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.378 -18.512 2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.324 -17.135 2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.377 -18.593 2.919 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.332 -19.999 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.214 -20.082 4.850 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.811 -19.436 4.528 1.00 0.00 H new ATOM 0 HE ARG A 100 1.382 -17.136 4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.480 -20.095 6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.088 -19.263 8.217 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.881 -16.075 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.751 -16.997 8.227 1.00 0.00 H new ATOM 1556 N GLU A 101 0.219 -19.404 0.168 1.00 0.00 N ATOM 1557 CA GLU A 101 -0.468 -20.599 -0.308 1.00 0.00 C ATOM 1558 C GLU A 101 -0.282 -20.768 -1.814 1.00 0.00 C ATOM 1559 O GLU A 101 0.098 -21.840 -2.286 1.00 0.00 O ATOM 1560 CB GLU A 101 -1.959 -20.525 0.028 1.00 0.00 C ATOM 1561 CG GLU A 101 -2.290 -21.002 1.432 1.00 0.00 C ATOM 1562 CD GLU A 101 -2.324 -22.513 1.542 1.00 0.00 C ATOM 1563 OE1 GLU A 101 -1.549 -23.179 0.824 1.00 0.00 O ATOM 1564 OE2 GLU A 101 -3.127 -23.031 2.347 1.00 0.00 O ATOM 0 H GLU A 101 -0.400 -18.637 0.429 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.033 -21.463 0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.298 -19.495 -0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.515 -21.126 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.551 -20.607 2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.257 -20.598 1.730 1.00 0.00 H new ATOM 1571 N VAL A 102 -0.555 -19.704 -2.562 1.00 0.00 N ATOM 1572 CA VAL A 102 -0.418 -19.734 -4.012 1.00 0.00 C ATOM 1573 C VAL A 102 1.049 -19.799 -4.425 1.00 0.00 C ATOM 1574 O VAL A 102 1.379 -20.295 -5.501 1.00 0.00 O ATOM 1575 CB VAL A 102 -1.069 -18.499 -4.663 1.00 0.00 C ATOM 1576 CG1 VAL A 102 -0.328 -17.232 -4.263 1.00 0.00 C ATOM 1577 CG2 VAL A 102 -1.104 -18.651 -6.177 1.00 0.00 C ATOM 0 H VAL A 102 -0.873 -18.810 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 102 -0.930 -20.631 -4.360 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.095 -18.419 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.802 -16.370 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.360 -17.119 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.710 -17.299 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.567 -17.770 -6.621 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.087 -18.756 -6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.683 -19.536 -6.441 1.00 0.00 H new ATOM 1587 N ALA A 103 1.924 -19.296 -3.562 1.00 0.00 N ATOM 1588 CA ALA A 103 3.355 -19.299 -3.834 1.00 0.00 C ATOM 1589 C ALA A 103 3.992 -20.619 -3.412 1.00 0.00 C ATOM 1590 O ALA A 103 4.822 -21.176 -4.128 1.00 0.00 O ATOM 1591 CB ALA A 103 4.030 -18.134 -3.126 1.00 0.00 C ATOM 0 H ALA A 103 1.666 -18.880 -2.667 1.00 0.00 H new ATOM 0 HA ALA A 103 3.495 -19.186 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.099 -18.149 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.603 -17.196 -3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.872 -18.221 -2.051 1.00 0.00 H new ATOM 1597 N ALA A 104 3.597 -21.113 -2.243 1.00 0.00 N ATOM 1598 CA ALA A 104 4.128 -22.368 -1.726 1.00 0.00 C ATOM 1599 C ALA A 104 4.434 -23.342 -2.857 1.00 0.00 C ATOM 1600 O ALA A 104 5.574 -23.768 -3.051 1.00 0.00 O ATOM 1601 CB ALA A 104 3.148 -22.990 -0.742 1.00 0.00 C ATOM 0 H ALA A 104 2.911 -20.663 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 104 5.061 -22.152 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.557 -23.927 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.982 -22.304 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.201 -23.185 -1.246 1.00 0.00 H new ATOM 1607 N PRO A 105 3.396 -23.705 -3.624 1.00 0.00 N ATOM 1608 CA PRO A 105 3.529 -24.635 -4.751 1.00 0.00 C ATOM 1609 C PRO A 105 4.303 -24.026 -5.915 1.00 0.00 C ATOM 1610 O PRO A 105 4.879 -24.744 -6.733 1.00 0.00 O ATOM 1611 CB PRO A 105 2.080 -24.911 -5.157 1.00 0.00 C ATOM 1612 CG PRO A 105 1.325 -23.710 -4.703 1.00 0.00 C ATOM 1613 CD PRO A 105 2.011 -23.237 -3.452 1.00 0.00 C ATOM 0 HA PRO A 105 4.086 -25.531 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.990 -25.051 -6.234 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.702 -25.818 -4.685 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.330 -22.934 -5.468 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.282 -23.957 -4.506 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.963 -22.153 -3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.552 -23.659 -2.558 1.00 0.00 H new ATOM 1621 N ASP A 106 4.312 -22.700 -5.985 1.00 0.00 N ATOM 1622 CA ASP A 106 5.015 -21.994 -7.049 1.00 0.00 C ATOM 1623 C ASP A 106 6.525 -22.067 -6.843 1.00 0.00 C ATOM 1624 O ASP A 106 7.255 -22.569 -7.699 1.00 0.00 O ATOM 1625 CB ASP A 106 4.566 -20.533 -7.106 1.00 0.00 C ATOM 1626 CG ASP A 106 5.130 -19.801 -8.308 1.00 0.00 C ATOM 1627 OD1 ASP A 106 6.331 -19.975 -8.600 1.00 0.00 O ATOM 1628 OD2 ASP A 106 4.369 -19.052 -8.956 1.00 0.00 O ATOM 0 H ASP A 106 3.840 -22.091 -5.316 1.00 0.00 H new ATOM 0 HA ASP A 106 4.771 -22.477 -7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.477 -20.491 -7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 106 4.879 -20.024 -6.194 1.00 0.00 H new ATOM 1633 N VAL A 107 6.988 -21.562 -5.704 1.00 0.00 N ATOM 1634 CA VAL A 107 8.410 -21.570 -5.386 1.00 0.00 C ATOM 1635 C VAL A 107 9.028 -22.935 -5.666 1.00 0.00 C ATOM 1636 O VAL A 107 10.113 -23.032 -6.240 1.00 0.00 O ATOM 1637 CB VAL A 107 8.657 -21.199 -3.912 1.00 0.00 C ATOM 1638 CG1 VAL A 107 8.431 -19.711 -3.690 1.00 0.00 C ATOM 1639 CG2 VAL A 107 7.764 -22.025 -2.998 1.00 0.00 C ATOM 0 H VAL A 107 6.398 -21.142 -4.986 1.00 0.00 H new ATOM 0 HA VAL A 107 8.882 -20.823 -6.025 1.00 0.00 H new ATOM 0 HB VAL A 107 9.695 -21.424 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.610 -19.468 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.117 -19.141 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.404 -19.456 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.952 -21.750 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.719 -21.834 -3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.981 -23.084 -3.137 1.00 0.00 H new ATOM 1649 N GLY A 108 8.330 -23.990 -5.258 1.00 0.00 N ATOM 1650 CA GLY A 108 8.825 -25.336 -5.475 1.00 0.00 C ATOM 1651 C GLY A 108 9.500 -25.497 -6.823 1.00 0.00 C ATOM 1652 O GLY A 108 10.423 -26.296 -6.971 1.00 0.00 O ATOM 0 H GLY A 108 7.430 -23.936 -4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.532 -25.591 -4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.997 -26.041 -5.401 1.00 0.00 H new ATOM 1656 N ARG A 109 9.036 -24.736 -7.809 1.00 0.00 N ATOM 1657 CA ARG A 109 9.598 -24.799 -9.152 1.00 0.00 C ATOM 1658 C ARG A 109 11.095 -24.507 -9.130 1.00 0.00 C ATOM 1659 O ARG A 109 11.903 -25.318 -9.584 1.00 0.00 O ATOM 1660 CB ARG A 109 8.888 -23.806 -10.073 1.00 0.00 C ATOM 1661 CG ARG A 109 7.463 -24.206 -10.419 1.00 0.00 C ATOM 1662 CD ARG A 109 7.007 -23.574 -11.725 1.00 0.00 C ATOM 1663 NE ARG A 109 7.328 -24.410 -12.879 1.00 0.00 N ATOM 1664 CZ ARG A 109 6.565 -25.416 -13.292 1.00 0.00 C ATOM 1665 NH1 ARG A 109 5.442 -25.708 -12.649 1.00 0.00 N ATOM 1666 NH2 ARG A 109 6.923 -26.130 -14.351 1.00 0.00 N ATOM 0 H ARG A 109 8.272 -24.069 -7.702 1.00 0.00 H new ATOM 0 HA ARG A 109 9.448 -25.809 -9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 109 8.875 -22.826 -9.596 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.461 -23.704 -10.994 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.398 -25.291 -10.497 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.793 -23.903 -9.614 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.931 -23.404 -11.689 1.00 0.00 H new ATOM 0 HD3 ARG A 109 7.481 -22.599 -11.841 1.00 0.00 H new ATOM 0 HE ARG A 109 8.184 -24.211 -13.396 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.163 -25.160 -11.836 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.858 -26.481 -12.968 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.785 -25.907 -14.849 1.00 0.00 H new ATOM 0 HH22 ARG A 109 6.337 -26.902 -14.667 1.00 0.00 H new ATOM 1680 N MET A 110 11.458 -23.345 -8.597 1.00 0.00 N ATOM 1681 CA MET A 110 12.858 -22.947 -8.514 1.00 0.00 C ATOM 1682 C MET A 110 13.605 -23.795 -7.490 1.00 0.00 C ATOM 1683 O MET A 110 14.791 -24.079 -7.651 1.00 0.00 O ATOM 1684 CB MET A 110 12.969 -21.466 -8.145 1.00 0.00 C ATOM 1685 CG MET A 110 12.268 -21.110 -6.844 1.00 0.00 C ATOM 1686 SD MET A 110 12.761 -19.497 -6.208 1.00 0.00 S ATOM 1687 CE MET A 110 11.277 -19.011 -5.331 1.00 0.00 C ATOM 0 H MET A 110 10.802 -22.663 -8.216 1.00 0.00 H new ATOM 0 HA MET A 110 13.313 -23.106 -9.492 1.00 0.00 H new ATOM 0 HB2 MET A 110 14.022 -21.198 -8.066 1.00 0.00 H new ATOM 0 HB3 MET A 110 12.547 -20.866 -8.952 1.00 0.00 H new ATOM 0 HG2 MET A 110 11.190 -21.120 -7.003 1.00 0.00 H new ATOM 0 HG3 MET A 110 12.487 -21.873 -6.097 1.00 0.00 H new ATOM 0 HE1 MET A 110 10.920 -18.058 -5.720 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.507 -19.770 -5.469 1.00 0.00 H new ATOM 0 HE3 MET A 110 11.499 -18.909 -4.269 1.00 0.00 H new ATOM 1697 N GLY A 111 12.902 -24.197 -6.435 1.00 0.00 N ATOM 1698 CA GLY A 111 13.516 -25.009 -5.401 1.00 0.00 C ATOM 1699 C GLY A 111 13.586 -24.291 -4.067 1.00 0.00 C ATOM 1700 O GLY A 111 14.550 -24.455 -3.316 1.00 0.00 O ATOM 0 H GLY A 111 11.919 -23.975 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 111 12.949 -25.933 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.522 -25.290 -5.713 1.00 0.00 H new ATOM 1704 N ILE A 112 12.566 -23.494 -3.771 1.00 0.00 N ATOM 1705 CA ILE A 112 12.518 -22.748 -2.519 1.00 0.00 C ATOM 1706 C ILE A 112 11.262 -23.089 -1.725 1.00 0.00 C ATOM 1707 O ILE A 112 10.178 -23.235 -2.291 1.00 0.00 O ATOM 1708 CB ILE A 112 12.558 -21.229 -2.766 1.00 0.00 C ATOM 1709 CG1 ILE A 112 13.821 -20.850 -3.543 1.00 0.00 C ATOM 1710 CG2 ILE A 112 12.495 -20.475 -1.446 1.00 0.00 C ATOM 1711 CD1 ILE A 112 15.096 -21.038 -2.752 1.00 0.00 C ATOM 0 H ILE A 112 11.761 -23.348 -4.381 1.00 0.00 H new ATOM 0 HA ILE A 112 13.399 -23.037 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 112 11.689 -20.950 -3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.874 -21.452 -4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 112 13.747 -19.808 -3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.524 -19.402 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.570 -20.726 -0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.346 -20.756 -0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.950 -20.750 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 112 15.065 -20.415 -1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.194 -22.084 -2.462 1.00 0.00 H new ATOM 1723 N GLU A 113 11.414 -23.213 -0.410 1.00 0.00 N ATOM 1724 CA GLU A 113 10.292 -23.536 0.462 1.00 0.00 C ATOM 1725 C GLU A 113 9.976 -22.372 1.396 1.00 0.00 C ATOM 1726 O GLU A 113 10.871 -21.806 2.025 1.00 0.00 O ATOM 1727 CB GLU A 113 10.597 -24.793 1.281 1.00 0.00 C ATOM 1728 CG GLU A 113 9.498 -25.161 2.262 1.00 0.00 C ATOM 1729 CD GLU A 113 9.708 -26.528 2.886 1.00 0.00 C ATOM 1730 OE1 GLU A 113 10.839 -26.806 3.335 1.00 0.00 O ATOM 1731 OE2 GLU A 113 8.742 -27.317 2.926 1.00 0.00 O ATOM 0 H GLU A 113 12.304 -23.094 0.074 1.00 0.00 H new ATOM 0 HA GLU A 113 9.421 -23.723 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.760 -25.629 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.527 -24.642 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.452 -24.409 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.537 -25.144 1.749 1.00 0.00 H new ATOM 1738 N ILE A 114 8.697 -22.018 1.481 1.00 0.00 N ATOM 1739 CA ILE A 114 8.264 -20.923 2.338 1.00 0.00 C ATOM 1740 C ILE A 114 8.128 -21.378 3.787 1.00 0.00 C ATOM 1741 O ILE A 114 7.676 -22.490 4.060 1.00 0.00 O ATOM 1742 CB ILE A 114 6.918 -20.340 1.868 1.00 0.00 C ATOM 1743 CG1 ILE A 114 5.789 -21.341 2.114 1.00 0.00 C ATOM 1744 CG2 ILE A 114 6.989 -19.964 0.395 1.00 0.00 C ATOM 1745 CD1 ILE A 114 5.109 -21.169 3.455 1.00 0.00 C ATOM 0 H ILE A 114 7.944 -22.474 0.966 1.00 0.00 H new ATOM 0 HA ILE A 114 9.030 -20.150 2.273 1.00 0.00 H new ATOM 0 HB ILE A 114 6.709 -19.438 2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.046 -21.239 1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.190 -22.352 2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.030 -19.554 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.770 -19.218 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.218 -20.851 -0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.319 -21.913 3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.840 -21.300 4.253 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.678 -20.170 3.519 1.00 0.00 H new ATOM 1757 N LEU A 115 8.522 -20.510 4.713 1.00 0.00 N ATOM 1758 CA LEU A 115 8.443 -20.822 6.136 1.00 0.00 C ATOM 1759 C LEU A 115 7.210 -20.183 6.766 1.00 0.00 C ATOM 1760 O LEU A 115 6.487 -20.825 7.529 1.00 0.00 O ATOM 1761 CB LEU A 115 9.705 -20.340 6.854 1.00 0.00 C ATOM 1762 CG LEU A 115 10.998 -21.082 6.513 1.00 0.00 C ATOM 1763 CD1 LEU A 115 12.177 -20.469 7.253 1.00 0.00 C ATOM 1764 CD2 LEU A 115 10.867 -22.561 6.845 1.00 0.00 C ATOM 0 H LEU A 115 8.899 -19.586 4.504 1.00 0.00 H new ATOM 0 HA LEU A 115 8.363 -21.904 6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.846 -19.283 6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.539 -20.416 7.929 1.00 0.00 H new ATOM 0 HG LEU A 115 11.179 -20.985 5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 115 13.088 -21.010 6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 115 12.283 -19.423 6.965 1.00 0.00 H new ATOM 0 HD13 LEU A 115 12.006 -20.534 8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 115 11.796 -23.073 6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.662 -22.678 7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.049 -22.992 6.268 1.00 0.00 H new ATOM 1776 N SER A 116 6.974 -18.917 6.440 1.00 0.00 N ATOM 1777 CA SER A 116 5.829 -18.191 6.976 1.00 0.00 C ATOM 1778 C SER A 116 5.628 -16.871 6.236 1.00 0.00 C ATOM 1779 O SER A 116 6.583 -16.274 5.738 1.00 0.00 O ATOM 1780 CB SER A 116 6.018 -17.927 8.471 1.00 0.00 C ATOM 1781 OG SER A 116 5.627 -19.050 9.241 1.00 0.00 O ATOM 0 H SER A 116 7.560 -18.373 5.807 1.00 0.00 H new ATOM 0 HA SER A 116 4.941 -18.807 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.063 -17.690 8.672 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.431 -17.057 8.767 1.00 0.00 H new ATOM 0 HG SER A 116 5.531 -19.830 8.656 1.00 0.00 H new ATOM 1787 N PHE A 117 4.379 -16.422 6.169 1.00 0.00 N ATOM 1788 CA PHE A 117 4.051 -15.173 5.490 1.00 0.00 C ATOM 1789 C PHE A 117 3.123 -14.317 6.346 1.00 0.00 C ATOM 1790 O PHE A 117 1.925 -14.585 6.443 1.00 0.00 O ATOM 1791 CB PHE A 117 3.396 -15.461 4.138 1.00 0.00 C ATOM 1792 CG PHE A 117 3.563 -14.349 3.142 1.00 0.00 C ATOM 1793 CD1 PHE A 117 3.279 -13.039 3.493 1.00 0.00 C ATOM 1794 CD2 PHE A 117 4.005 -14.613 1.856 1.00 0.00 C ATOM 1795 CE1 PHE A 117 3.431 -12.014 2.578 1.00 0.00 C ATOM 1796 CE2 PHE A 117 4.160 -13.591 0.937 1.00 0.00 C ATOM 1797 CZ PHE A 117 3.874 -12.290 1.300 1.00 0.00 C ATOM 0 H PHE A 117 3.578 -16.904 6.576 1.00 0.00 H new ATOM 0 HA PHE A 117 4.977 -14.622 5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 117 3.822 -16.375 3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 117 2.332 -15.645 4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.935 -12.816 4.492 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.231 -15.629 1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 117 3.203 -10.997 2.863 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.504 -13.810 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.997 -11.490 0.585 1.00 0.00 H new ATOM 1807 N THR A 118 3.685 -13.284 6.966 1.00 0.00 N ATOM 1808 CA THR A 118 2.910 -12.388 7.815 1.00 0.00 C ATOM 1809 C THR A 118 2.998 -10.949 7.321 1.00 0.00 C ATOM 1810 O THR A 118 3.845 -10.619 6.489 1.00 0.00 O ATOM 1811 CB THR A 118 3.388 -12.447 9.278 1.00 0.00 C ATOM 1812 OG1 THR A 118 3.680 -13.800 9.644 1.00 0.00 O ATOM 1813 CG2 THR A 118 2.332 -11.880 10.215 1.00 0.00 C ATOM 0 H THR A 118 4.675 -13.047 6.896 1.00 0.00 H new ATOM 0 HA THR A 118 1.874 -12.723 7.765 1.00 0.00 H new ATOM 0 HB THR A 118 4.292 -11.844 9.366 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.985 -13.829 10.575 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.692 -11.932 11.243 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.133 -10.841 9.952 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.414 -12.460 10.122 1.00 0.00 H new ATOM 1821 N ILE A 119 2.122 -10.096 7.839 1.00 0.00 N ATOM 1822 CA ILE A 119 2.104 -8.690 7.451 1.00 0.00 C ATOM 1823 C ILE A 119 2.870 -7.833 8.452 1.00 0.00 C ATOM 1824 O ILE A 119 2.923 -8.145 9.642 1.00 0.00 O ATOM 1825 CB ILE A 119 0.663 -8.158 7.334 1.00 0.00 C ATOM 1826 CG1 ILE A 119 -0.091 -8.903 6.231 1.00 0.00 C ATOM 1827 CG2 ILE A 119 0.673 -6.661 7.058 1.00 0.00 C ATOM 1828 CD1 ILE A 119 0.629 -8.906 4.901 1.00 0.00 C ATOM 0 H ILE A 119 1.415 -10.353 8.528 1.00 0.00 H new ATOM 0 HA ILE A 119 2.588 -8.625 6.476 1.00 0.00 H new ATOM 0 HB ILE A 119 0.149 -8.331 8.280 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.256 -9.933 6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -1.073 -8.447 6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.352 -6.299 6.978 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.178 -6.144 7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.201 -6.467 6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 119 0.036 -9.452 4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 119 0.771 -7.880 4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 119 1.600 -9.388 5.014 1.00 0.00 H new ATOM 1840 N LYS A 120 3.464 -6.750 7.963 1.00 0.00 N ATOM 1841 CA LYS A 120 4.227 -5.844 8.814 1.00 0.00 C ATOM 1842 C LYS A 120 3.509 -4.506 8.965 1.00 0.00 C ATOM 1843 O LYS A 120 2.941 -4.212 10.017 1.00 0.00 O ATOM 1844 CB LYS A 120 5.626 -5.623 8.234 1.00 0.00 C ATOM 1845 CG LYS A 120 6.391 -4.497 8.906 1.00 0.00 C ATOM 1846 CD LYS A 120 7.102 -4.976 10.160 1.00 0.00 C ATOM 1847 CE LYS A 120 6.190 -4.915 11.376 1.00 0.00 C ATOM 1848 NZ LYS A 120 6.959 -4.708 12.636 1.00 0.00 N ATOM 0 H LYS A 120 3.432 -6.478 6.981 1.00 0.00 H new ATOM 0 HA LYS A 120 4.318 -6.301 9.800 1.00 0.00 H new ATOM 0 HB2 LYS A 120 6.199 -6.546 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 120 5.539 -5.407 7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.120 -4.084 8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 120 5.703 -3.691 9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 120 7.448 -5.999 10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 120 7.986 -4.362 10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 120 5.472 -4.104 11.251 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.618 -5.840 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 6.302 -4.672 13.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 7.627 -5.494 12.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 7.485 -3.813 12.578 1.00 0.00 H new ATOM 1862 N ASP A 121 3.540 -3.702 7.909 1.00 0.00 N ATOM 1863 CA ASP A 121 2.890 -2.396 7.923 1.00 0.00 C ATOM 1864 C ASP A 121 2.187 -2.124 6.597 1.00 0.00 C ATOM 1865 O ASP A 121 2.552 -2.683 5.562 1.00 0.00 O ATOM 1866 CB ASP A 121 3.914 -1.297 8.207 1.00 0.00 C ATOM 1867 CG ASP A 121 4.062 -1.011 9.689 1.00 0.00 C ATOM 1868 OD1 ASP A 121 3.128 -1.335 10.450 1.00 0.00 O ATOM 1869 OD2 ASP A 121 5.112 -0.464 10.085 1.00 0.00 O ATOM 0 H ASP A 121 4.008 -3.931 7.032 1.00 0.00 H new ATOM 0 HA ASP A 121 2.142 -2.398 8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 121 4.881 -1.591 7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 121 3.615 -0.384 7.692 1.00 0.00 H new ATOM 1874 N VAL A 122 1.175 -1.263 6.635 1.00 0.00 N ATOM 1875 CA VAL A 122 0.421 -0.917 5.437 1.00 0.00 C ATOM 1876 C VAL A 122 -0.041 0.536 5.478 1.00 0.00 C ATOM 1877 O VAL A 122 -0.688 0.965 6.434 1.00 0.00 O ATOM 1878 CB VAL A 122 -0.808 -1.829 5.264 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -1.639 -1.386 4.069 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -0.376 -3.280 5.114 1.00 0.00 C ATOM 0 H VAL A 122 0.859 -0.792 7.483 1.00 0.00 H new ATOM 0 HA VAL A 122 1.092 -1.059 4.590 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.428 -1.747 6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.503 -2.042 3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.978 -0.361 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.032 -1.436 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.256 -3.911 4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.266 -3.380 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.173 -3.590 6.003 1.00 0.00 H new ATOM 1890 N TYR A 123 0.294 1.287 4.436 1.00 0.00 N ATOM 1891 CA TYR A 123 -0.084 2.693 4.354 1.00 0.00 C ATOM 1892 C TYR A 123 -0.649 3.026 2.977 1.00 0.00 C ATOM 1893 O TYR A 123 -0.636 2.193 2.070 1.00 0.00 O ATOM 1894 CB TYR A 123 1.122 3.586 4.652 1.00 0.00 C ATOM 1895 CG TYR A 123 2.418 3.065 4.074 1.00 0.00 C ATOM 1896 CD1 TYR A 123 3.189 2.142 4.768 1.00 0.00 C ATOM 1897 CD2 TYR A 123 2.871 3.498 2.833 1.00 0.00 C ATOM 1898 CE1 TYR A 123 4.375 1.664 4.243 1.00 0.00 C ATOM 1899 CE2 TYR A 123 4.055 3.024 2.302 1.00 0.00 C ATOM 1900 CZ TYR A 123 4.803 2.108 3.010 1.00 0.00 C ATOM 1901 OH TYR A 123 5.984 1.635 2.483 1.00 0.00 O ATOM 0 H TYR A 123 0.827 0.946 3.636 1.00 0.00 H new ATOM 0 HA TYR A 123 -0.858 2.878 5.099 1.00 0.00 H new ATOM 0 HB2 TYR A 123 0.932 4.583 4.255 1.00 0.00 H new ATOM 0 HB3 TYR A 123 1.230 3.688 5.732 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.857 1.792 5.734 1.00 0.00 H new ATOM 0 HD2 TYR A 123 2.288 4.216 2.275 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.963 0.947 4.796 1.00 0.00 H new ATOM 0 HE2 TYR A 123 4.393 3.370 1.336 1.00 0.00 H new ATOM 0 HH TYR A 123 6.140 2.047 1.608 1.00 0.00 H new ATOM 1911 N ASP A 124 -1.145 4.250 2.827 1.00 0.00 N ATOM 1912 CA ASP A 124 -1.714 4.695 1.561 1.00 0.00 C ATOM 1913 C ASP A 124 -0.780 5.678 0.863 1.00 0.00 C ATOM 1914 O ASP A 124 -0.447 6.730 1.409 1.00 0.00 O ATOM 1915 CB ASP A 124 -3.079 5.344 1.790 1.00 0.00 C ATOM 1916 CG ASP A 124 -3.144 6.111 3.097 1.00 0.00 C ATOM 1917 OD1 ASP A 124 -3.024 5.475 4.165 1.00 0.00 O ATOM 1918 OD2 ASP A 124 -3.312 7.347 3.051 1.00 0.00 O ATOM 0 H ASP A 124 -1.164 4.951 3.567 1.00 0.00 H new ATOM 0 HA ASP A 124 -1.840 3.822 0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.300 6.020 0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -3.850 4.573 1.786 1.00 0.00 H new