USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=22 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 87 GLN : amide:sc= -0.124 X(o=-0.15,f=-0.046) USER MOD Set 1.2: A 90 GLN : amide:sc= -0.0261 X(o=-0.15,f=-0.12) USER MOD Set 2.1: A 71 THR OG1 : rot 69:sc= -0.0172 USER MOD Set 2.2: A 110 MET CE :methyl 168:sc= -5.11! (180deg=-5.89!) USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 39 GLN : amide:sc= -0.567 K(o=-0.57,f=-2.7) USER MOD Single : A 15 MET CE :methyl -169:sc= -3.06! (180deg=-3.21!) USER MOD Single : A 18 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.93) USER MOD Single : A 21 CYS SG : rot 50:sc= -4.01! USER MOD Single : A 26 THR OG1 : rot -120:sc= 0 USER MOD Single : A 33 THR OG1 : rot 76:sc= 0.49 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -124:sc= -1.72 (180deg=-4.92!) USER MOD Single : A 43 MET CE :methyl 144:sc= -2.83! (180deg=-3.59!) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.203 F(o=-1.3,f=-0.2) USER MOD Single : A 62 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.437 X(o=0.44,f=-0.0013) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -8.13! C(o=-10!,f=-8.1!) 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 84 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -5.03! C(o=-8.5!,f=-5!) USER MOD Single : A 97 LYS NZ :NH3+ -158:sc= -0.0674 (180deg=-0.45) USER MOD Single : A 116 SER OG : rot 180:sc= 0 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 18.937 -19.235 6.244 1.00 0.00 N ATOM 172 CA ILE A 14 17.643 -18.635 5.944 1.00 0.00 C ATOM 173 C ILE A 14 17.794 -17.166 5.561 1.00 0.00 C ATOM 174 O ILE A 14 18.598 -16.441 6.144 1.00 0.00 O ATOM 175 CB ILE A 14 16.681 -18.745 7.142 1.00 0.00 C ATOM 176 CG1 ILE A 14 16.611 -20.191 7.636 1.00 0.00 C ATOM 177 CG2 ILE A 14 15.297 -18.243 6.758 1.00 0.00 C ATOM 178 CD1 ILE A 14 16.265 -20.312 9.103 1.00 0.00 C ATOM 0 HA ILE A 14 17.226 -19.187 5.101 1.00 0.00 H new ATOM 0 HB ILE A 14 17.060 -18.122 7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.867 -20.731 7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 14 17.571 -20.675 7.456 1.00 0.00 H new ATOM 0 HG21 ILE A 14 14.629 -18.327 7.615 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.361 -17.200 6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.908 -18.842 5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 14 16.233 -21.365 9.384 1.00 0.00 H new ATOM 0 HD12 ILE A 14 17.021 -19.801 9.699 1.00 0.00 H new ATOM 0 HD13 ILE A 14 15.291 -19.858 9.286 1.00 0.00 H new ATOM 190 N MET A 15 17.011 -16.735 4.578 1.00 0.00 N ATOM 191 CA MET A 15 17.055 -15.352 4.118 1.00 0.00 C ATOM 192 C MET A 15 15.706 -14.669 4.317 1.00 0.00 C ATOM 193 O MET A 15 14.674 -15.164 3.862 1.00 0.00 O ATOM 194 CB MET A 15 17.455 -15.294 2.642 1.00 0.00 C ATOM 195 CG MET A 15 16.552 -16.115 1.736 1.00 0.00 C ATOM 196 SD MET A 15 17.322 -16.498 0.150 1.00 0.00 S ATOM 197 CE MET A 15 16.050 -17.505 -0.609 1.00 0.00 C ATOM 0 H MET A 15 16.339 -17.323 4.085 1.00 0.00 H new ATOM 0 HA MET A 15 17.802 -14.823 4.711 1.00 0.00 H new ATOM 0 HB2 MET A 15 17.441 -14.256 2.311 1.00 0.00 H new ATOM 0 HB3 MET A 15 18.480 -15.649 2.538 1.00 0.00 H new ATOM 0 HG2 MET A 15 16.286 -17.044 2.240 1.00 0.00 H new ATOM 0 HG3 MET A 15 15.624 -15.569 1.563 1.00 0.00 H new ATOM 0 HE1 MET A 15 16.448 -17.979 -1.506 1.00 0.00 H new ATOM 0 HE2 MET A 15 15.726 -18.272 0.094 1.00 0.00 H new ATOM 0 HE3 MET A 15 15.201 -16.877 -0.878 1.00 0.00 H new ATOM 207 N THR A 16 15.719 -13.529 5.002 1.00 0.00 N ATOM 208 CA THR A 16 14.496 -12.781 5.264 1.00 0.00 C ATOM 209 C THR A 16 14.079 -11.966 4.045 1.00 0.00 C ATOM 210 O THR A 16 14.716 -10.969 3.703 1.00 0.00 O ATOM 211 CB THR A 16 14.664 -11.833 6.467 1.00 0.00 C ATOM 212 OG1 THR A 16 15.332 -12.512 7.536 1.00 0.00 O ATOM 213 CG2 THR A 16 13.313 -11.325 6.948 1.00 0.00 C ATOM 0 H THR A 16 16.563 -13.104 5.385 1.00 0.00 H new ATOM 0 HA THR A 16 13.721 -13.512 5.492 1.00 0.00 H new ATOM 0 HB THR A 16 15.263 -10.980 6.149 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.436 -11.902 8.296 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.457 -10.658 7.798 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.819 -10.784 6.141 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.693 -12.169 7.250 1.00 0.00 H new ATOM 221 N LEU A 17 13.005 -12.395 3.391 1.00 0.00 N ATOM 222 CA LEU A 17 12.502 -11.706 2.209 1.00 0.00 C ATOM 223 C LEU A 17 11.129 -11.095 2.477 1.00 0.00 C ATOM 224 O LEU A 17 10.139 -11.812 2.618 1.00 0.00 O ATOM 225 CB LEU A 17 12.420 -12.671 1.026 1.00 0.00 C ATOM 226 CG LEU A 17 13.742 -13.296 0.577 1.00 0.00 C ATOM 227 CD1 LEU A 17 13.526 -14.187 -0.636 1.00 0.00 C ATOM 228 CD2 LEU A 17 14.766 -12.213 0.270 1.00 0.00 C ATOM 0 H LEU A 17 12.466 -13.218 3.660 1.00 0.00 H new ATOM 0 HA LEU A 17 13.197 -10.902 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.731 -13.475 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.986 -12.140 0.179 1.00 0.00 H new ATOM 0 HG LEU A 17 14.126 -13.912 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.477 -14.623 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.827 -14.984 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.119 -13.594 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.700 -12.675 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.389 -11.571 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.943 -11.615 1.164 1.00 0.00 H new ATOM 240 N GLN A 18 11.080 -9.769 2.546 1.00 0.00 N ATOM 241 CA GLN A 18 9.829 -9.063 2.796 1.00 0.00 C ATOM 242 C GLN A 18 9.251 -8.505 1.501 1.00 0.00 C ATOM 243 O GLN A 18 9.662 -7.452 1.011 1.00 0.00 O ATOM 244 CB GLN A 18 10.050 -7.930 3.800 1.00 0.00 C ATOM 245 CG GLN A 18 11.411 -7.266 3.678 1.00 0.00 C ATOM 246 CD GLN A 18 12.466 -7.934 4.538 1.00 0.00 C ATOM 247 OE1 GLN A 18 13.447 -8.478 4.029 1.00 0.00 O ATOM 248 NE2 GLN A 18 12.270 -7.896 5.851 1.00 0.00 N ATOM 0 H GLN A 18 11.892 -9.162 2.432 1.00 0.00 H new ATOM 0 HA GLN A 18 9.117 -9.775 3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.274 -7.177 3.662 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.936 -8.324 4.810 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.730 -7.288 2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.326 -6.217 3.963 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.443 -7.435 6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.946 -8.328 6.480 1.00 0.00 H new ATOM 257 N PRO A 19 8.274 -9.225 0.928 1.00 0.00 N ATOM 258 CA PRO A 19 7.619 -8.820 -0.318 1.00 0.00 C ATOM 259 C PRO A 19 6.738 -7.588 -0.137 1.00 0.00 C ATOM 260 O PRO A 19 5.617 -7.684 0.363 1.00 0.00 O ATOM 261 CB PRO A 19 6.766 -10.038 -0.682 1.00 0.00 C ATOM 262 CG PRO A 19 6.510 -10.723 0.615 1.00 0.00 C ATOM 263 CD PRO A 19 7.735 -10.490 1.456 1.00 0.00 C ATOM 0 HA PRO A 19 8.341 -8.542 -1.086 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.834 -9.739 -1.162 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.288 -10.693 -1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.621 -10.320 1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.336 -11.789 0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.487 -10.411 2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.452 -11.305 1.357 1.00 0.00 H new ATOM 271 N ARG A 20 7.252 -6.433 -0.546 1.00 0.00 N ATOM 272 CA ARG A 20 6.512 -5.183 -0.428 1.00 0.00 C ATOM 273 C ARG A 20 6.005 -4.720 -1.791 1.00 0.00 C ATOM 274 O ARG A 20 6.766 -4.652 -2.756 1.00 0.00 O ATOM 275 CB ARG A 20 7.396 -4.100 0.194 1.00 0.00 C ATOM 276 CG ARG A 20 6.945 -2.685 -0.133 1.00 0.00 C ATOM 277 CD ARG A 20 7.594 -1.666 0.791 1.00 0.00 C ATOM 278 NE ARG A 20 8.867 -1.182 0.265 1.00 0.00 N ATOM 279 CZ ARG A 20 8.970 -0.386 -0.794 1.00 0.00 C ATOM 280 NH1 ARG A 20 7.881 0.014 -1.435 1.00 0.00 N ATOM 281 NH2 ARG A 20 10.164 0.013 -1.213 1.00 0.00 N ATOM 0 H ARG A 20 8.178 -6.337 -0.962 1.00 0.00 H new ATOM 0 HA ARG A 20 5.653 -5.358 0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.406 -4.228 1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.420 -4.235 -0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.196 -2.452 -1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.861 -2.618 -0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.917 -0.824 0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.754 -2.116 1.771 1.00 0.00 H new ATOM 0 HE ARG A 20 9.724 -1.471 0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.961 -0.289 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.963 0.625 -2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.005 -0.291 -0.722 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.241 0.624 -2.026 1.00 0.00 H new ATOM 295 N CYS A 21 4.716 -4.405 -1.860 1.00 0.00 N ATOM 296 CA CYS A 21 4.107 -3.949 -3.105 1.00 0.00 C ATOM 297 C CYS A 21 3.438 -2.592 -2.919 1.00 0.00 C ATOM 298 O CYS A 21 2.437 -2.474 -2.213 1.00 0.00 O ATOM 299 CB CYS A 21 3.082 -4.973 -3.599 1.00 0.00 C ATOM 300 SG CYS A 21 3.785 -6.594 -3.985 1.00 0.00 S ATOM 0 H CYS A 21 4.073 -4.457 -1.070 1.00 0.00 H new ATOM 0 HA CYS A 21 4.896 -3.845 -3.850 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.311 -5.095 -2.838 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.592 -4.580 -4.490 1.00 0.00 H new ATOM 0 HG CYS A 21 4.520 -6.996 -2.991 1.00 0.00 H new ATOM 306 N GLU A 22 4.001 -1.568 -3.554 1.00 0.00 N ATOM 307 CA GLU A 22 3.459 -0.218 -3.455 1.00 0.00 C ATOM 308 C GLU A 22 2.785 0.194 -4.760 1.00 0.00 C ATOM 309 O GLU A 22 3.115 -0.317 -5.831 1.00 0.00 O ATOM 310 CB GLU A 22 4.569 0.775 -3.106 1.00 0.00 C ATOM 311 CG GLU A 22 5.572 0.988 -4.227 1.00 0.00 C ATOM 312 CD GLU A 22 6.438 2.214 -4.011 1.00 0.00 C ATOM 313 OE1 GLU A 22 5.878 3.323 -3.888 1.00 0.00 O ATOM 314 OE2 GLU A 22 7.678 2.063 -3.965 1.00 0.00 O ATOM 0 H GLU A 22 4.831 -1.648 -4.142 1.00 0.00 H new ATOM 0 HA GLU A 22 2.711 -0.210 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.119 1.733 -2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.097 0.420 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.210 0.108 -4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.039 1.087 -5.173 1.00 0.00 H new ATOM 321 N ASP A 23 1.838 1.121 -4.663 1.00 0.00 N ATOM 322 CA ASP A 23 1.117 1.604 -5.834 1.00 0.00 C ATOM 323 C ASP A 23 0.399 0.458 -6.540 1.00 0.00 C ATOM 324 O ASP A 23 0.416 0.363 -7.768 1.00 0.00 O ATOM 325 CB ASP A 23 2.078 2.294 -6.803 1.00 0.00 C ATOM 326 CG ASP A 23 2.294 3.756 -6.464 1.00 0.00 C ATOM 327 OD1 ASP A 23 1.391 4.570 -6.748 1.00 0.00 O ATOM 328 OD2 ASP A 23 3.366 4.085 -5.913 1.00 0.00 O ATOM 0 H ASP A 23 1.552 1.553 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 23 0.372 2.325 -5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.037 1.776 -6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.686 2.213 -7.817 1.00 0.00 H new ATOM 333 N VAL A 24 -0.231 -0.411 -5.757 1.00 0.00 N ATOM 334 CA VAL A 24 -0.955 -1.552 -6.306 1.00 0.00 C ATOM 335 C VAL A 24 -2.461 -1.316 -6.268 1.00 0.00 C ATOM 336 O VAL A 24 -3.091 -1.441 -5.218 1.00 0.00 O ATOM 337 CB VAL A 24 -0.629 -2.847 -5.540 1.00 0.00 C ATOM 338 CG1 VAL A 24 0.869 -3.114 -5.557 1.00 0.00 C ATOM 339 CG2 VAL A 24 -1.147 -2.765 -4.111 1.00 0.00 C ATOM 0 H VAL A 24 -0.255 -0.347 -4.739 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.633 -1.662 -7.341 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.129 -3.679 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.081 -4.033 -5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.208 -3.218 -6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.392 -2.283 -5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.908 -3.689 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.677 -1.924 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.228 -2.623 -4.123 1.00 0.00 H new ATOM 349 N GLU A 25 -3.031 -0.976 -7.419 1.00 0.00 N ATOM 350 CA GLU A 25 -4.464 -0.724 -7.516 1.00 0.00 C ATOM 351 C GLU A 25 -5.261 -1.992 -7.223 1.00 0.00 C ATOM 352 O GLU A 25 -5.196 -2.967 -7.973 1.00 0.00 O ATOM 353 CB GLU A 25 -4.819 -0.195 -8.908 1.00 0.00 C ATOM 354 CG GLU A 25 -4.061 1.066 -9.291 1.00 0.00 C ATOM 355 CD GLU A 25 -4.631 1.736 -10.526 1.00 0.00 C ATOM 356 OE1 GLU A 25 -4.429 1.202 -11.637 1.00 0.00 O ATOM 357 OE2 GLU A 25 -5.279 2.793 -10.381 1.00 0.00 O ATOM 0 H GLU A 25 -2.523 -0.869 -8.297 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.725 0.028 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.613 -0.971 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.889 0.008 -8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.086 1.768 -8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.015 0.817 -9.467 1.00 0.00 H new ATOM 364 N THR A 26 -6.013 -1.972 -6.128 1.00 0.00 N ATOM 365 CA THR A 26 -6.821 -3.119 -5.734 1.00 0.00 C ATOM 366 C THR A 26 -8.074 -3.230 -6.596 1.00 0.00 C ATOM 367 O THR A 26 -8.299 -2.413 -7.489 1.00 0.00 O ATOM 368 CB THR A 26 -7.237 -3.032 -4.253 1.00 0.00 C ATOM 369 OG1 THR A 26 -8.478 -2.327 -4.134 1.00 0.00 O ATOM 370 CG2 THR A 26 -6.168 -2.328 -3.432 1.00 0.00 C ATOM 0 H THR A 26 -6.080 -1.173 -5.497 1.00 0.00 H new ATOM 0 HA THR A 26 -6.203 -4.005 -5.878 1.00 0.00 H new ATOM 0 HB THR A 26 -7.357 -4.046 -3.871 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.350 -1.532 -3.576 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.484 -2.278 -2.390 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.232 -2.882 -3.502 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.021 -1.318 -3.815 1.00 0.00 H new ATOM 378 N ALA A 27 -8.886 -4.246 -6.322 1.00 0.00 N ATOM 379 CA ALA A 27 -10.118 -4.462 -7.071 1.00 0.00 C ATOM 380 C ALA A 27 -10.832 -3.143 -7.347 1.00 0.00 C ATOM 381 O ALA A 27 -11.131 -2.818 -8.495 1.00 0.00 O ATOM 382 CB ALA A 27 -11.035 -5.412 -6.316 1.00 0.00 C ATOM 0 H ALA A 27 -8.713 -4.932 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.857 -4.911 -8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.951 -5.564 -6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.532 -6.369 -6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.280 -4.985 -5.344 1.00 0.00 H new ATOM 388 N GLU A 28 -11.101 -2.388 -6.287 1.00 0.00 N ATOM 389 CA GLU A 28 -11.782 -1.105 -6.416 1.00 0.00 C ATOM 390 C GLU A 28 -10.986 -0.155 -7.307 1.00 0.00 C ATOM 391 O GLU A 28 -11.552 0.711 -7.972 1.00 0.00 O ATOM 392 CB GLU A 28 -11.994 -0.472 -5.039 1.00 0.00 C ATOM 393 CG GLU A 28 -13.191 0.460 -4.975 1.00 0.00 C ATOM 394 CD GLU A 28 -13.004 1.582 -3.972 1.00 0.00 C ATOM 395 OE1 GLU A 28 -12.574 1.297 -2.836 1.00 0.00 O ATOM 396 OE2 GLU A 28 -13.287 2.746 -4.325 1.00 0.00 O ATOM 0 H GLU A 28 -10.858 -2.642 -5.330 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.753 -1.283 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.121 -1.264 -4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.097 0.082 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.368 0.886 -5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.080 -0.114 -4.711 1.00 0.00 H new ATOM 403 N GLY A 29 -9.666 -0.323 -7.313 1.00 0.00 N ATOM 404 CA GLY A 29 -8.814 0.525 -8.124 1.00 0.00 C ATOM 405 C GLY A 29 -7.924 1.423 -7.286 1.00 0.00 C ATOM 406 O GLY A 29 -7.061 2.123 -7.816 1.00 0.00 O ATOM 0 H GLY A 29 -9.173 -1.032 -6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.193 -0.098 -8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.434 1.140 -8.777 1.00 0.00 H new ATOM 410 N VAL A 30 -8.134 1.402 -5.974 1.00 0.00 N ATOM 411 CA VAL A 30 -7.344 2.220 -5.061 1.00 0.00 C ATOM 412 C VAL A 30 -5.950 1.634 -4.864 1.00 0.00 C ATOM 413 O VAL A 30 -5.799 0.446 -4.584 1.00 0.00 O ATOM 414 CB VAL A 30 -8.031 2.354 -3.690 1.00 0.00 C ATOM 415 CG1 VAL A 30 -7.362 3.438 -2.860 1.00 0.00 C ATOM 416 CG2 VAL A 30 -9.515 2.642 -3.863 1.00 0.00 C ATOM 0 H VAL A 30 -8.844 0.828 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.259 3.208 -5.514 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.928 1.408 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.862 3.518 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.313 3.183 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.430 4.392 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.984 2.734 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.643 3.573 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.982 1.826 -4.414 1.00 0.00 H new ATOM 426 N ALA A 31 -4.933 2.478 -5.012 1.00 0.00 N ATOM 427 CA ALA A 31 -3.552 2.044 -4.848 1.00 0.00 C ATOM 428 C ALA A 31 -3.165 1.987 -3.374 1.00 0.00 C ATOM 429 O ALA A 31 -3.203 2.999 -2.672 1.00 0.00 O ATOM 430 CB ALA A 31 -2.614 2.973 -5.606 1.00 0.00 C ATOM 0 H ALA A 31 -5.040 3.465 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.462 1.039 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.585 2.637 -5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.868 2.960 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.717 3.987 -5.220 1.00 0.00 H new ATOM 436 N LEU A 32 -2.795 0.800 -2.910 1.00 0.00 N ATOM 437 CA LEU A 32 -2.403 0.610 -1.517 1.00 0.00 C ATOM 438 C LEU A 32 -0.933 0.214 -1.415 1.00 0.00 C ATOM 439 O LEU A 32 -0.310 -0.164 -2.407 1.00 0.00 O ATOM 440 CB LEU A 32 -3.278 -0.459 -0.861 1.00 0.00 C ATOM 441 CG LEU A 32 -4.544 0.044 -0.167 1.00 0.00 C ATOM 442 CD1 LEU A 32 -4.190 0.897 1.040 1.00 0.00 C ATOM 443 CD2 LEU A 32 -5.410 0.829 -1.142 1.00 0.00 C ATOM 0 H LEU A 32 -2.758 -0.047 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.543 1.556 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.568 -1.181 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.674 -0.995 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.112 -0.819 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.104 1.245 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.612 0.303 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.599 1.755 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.307 1.179 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.849 1.684 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.695 0.186 -1.975 1.00 0.00 H new ATOM 455 N THR A 33 -0.384 0.301 -0.207 1.00 0.00 N ATOM 456 CA THR A 33 1.011 -0.049 0.026 1.00 0.00 C ATOM 457 C THR A 33 1.138 -1.101 1.121 1.00 0.00 C ATOM 458 O THR A 33 0.992 -0.800 2.306 1.00 0.00 O ATOM 459 CB THR A 33 1.842 1.187 0.417 1.00 0.00 C ATOM 460 OG1 THR A 33 1.302 2.358 -0.204 1.00 0.00 O ATOM 461 CG2 THR A 33 3.296 1.014 0.007 1.00 0.00 C ATOM 0 H THR A 33 -0.885 0.611 0.625 1.00 0.00 H new ATOM 0 HA THR A 33 1.396 -0.455 -0.910 1.00 0.00 H new ATOM 0 HB THR A 33 1.798 1.298 1.500 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.485 2.629 0.264 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.863 1.900 0.294 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.713 0.139 0.506 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.356 0.879 -1.073 1.00 0.00 H new ATOM 469 N VAL A 34 1.413 -2.338 0.718 1.00 0.00 N ATOM 470 CA VAL A 34 1.563 -3.435 1.666 1.00 0.00 C ATOM 471 C VAL A 34 3.019 -3.872 1.777 1.00 0.00 C ATOM 472 O VAL A 34 3.594 -4.403 0.828 1.00 0.00 O ATOM 473 CB VAL A 34 0.705 -4.648 1.261 1.00 0.00 C ATOM 474 CG1 VAL A 34 0.979 -5.829 2.180 1.00 0.00 C ATOM 475 CG2 VAL A 34 -0.773 -4.285 1.274 1.00 0.00 C ATOM 0 H VAL A 34 1.536 -2.605 -0.259 1.00 0.00 H new ATOM 0 HA VAL A 34 1.223 -3.065 2.633 1.00 0.00 H new ATOM 0 HB VAL A 34 0.976 -4.938 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.363 -6.676 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.032 -6.104 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.739 -5.554 3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.364 -5.154 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.061 -3.967 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.954 -3.473 0.570 1.00 0.00 H new ATOM 485 N THR A 35 3.612 -3.643 2.945 1.00 0.00 N ATOM 486 CA THR A 35 5.003 -4.013 3.181 1.00 0.00 C ATOM 487 C THR A 35 5.186 -5.525 3.136 1.00 0.00 C ATOM 488 O THR A 35 6.020 -6.037 2.391 1.00 0.00 O ATOM 489 CB THR A 35 5.500 -3.487 4.541 1.00 0.00 C ATOM 490 OG1 THR A 35 5.538 -2.056 4.529 1.00 0.00 O ATOM 491 CG2 THR A 35 6.883 -4.034 4.859 1.00 0.00 C ATOM 0 H THR A 35 3.151 -3.203 3.742 1.00 0.00 H new ATOM 0 HA THR A 35 5.591 -3.556 2.385 1.00 0.00 H new ATOM 0 HB THR A 35 4.807 -3.824 5.312 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.853 -1.730 5.398 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.213 -3.649 5.824 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.844 -5.123 4.897 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.584 -3.723 4.085 1.00 0.00 H new ATOM 499 N GLY A 36 4.399 -6.235 3.938 1.00 0.00 N ATOM 500 CA GLY A 36 4.490 -7.684 3.974 1.00 0.00 C ATOM 501 C GLY A 36 5.843 -8.168 4.458 1.00 0.00 C ATOM 502 O GLY A 36 6.875 -7.583 4.127 1.00 0.00 O ATOM 0 H GLY A 36 3.700 -5.834 4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.712 -8.078 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.301 -8.082 2.977 1.00 0.00 H new ATOM 506 N VAL A 37 5.840 -9.239 5.244 1.00 0.00 N ATOM 507 CA VAL A 37 7.075 -9.802 5.775 1.00 0.00 C ATOM 508 C VAL A 37 6.989 -11.321 5.877 1.00 0.00 C ATOM 509 O VAL A 37 6.222 -11.857 6.676 1.00 0.00 O ATOM 510 CB VAL A 37 7.403 -9.223 7.165 1.00 0.00 C ATOM 511 CG1 VAL A 37 8.377 -10.128 7.904 1.00 0.00 C ATOM 512 CG2 VAL A 37 7.965 -7.816 7.036 1.00 0.00 C ATOM 0 H VAL A 37 4.995 -9.735 5.527 1.00 0.00 H new ATOM 0 HA VAL A 37 7.870 -9.533 5.080 1.00 0.00 H new ATOM 0 HB VAL A 37 6.481 -9.171 7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.597 -9.703 8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.933 -11.116 8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.300 -10.215 7.331 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.191 -7.422 8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.877 -7.842 6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.231 -7.174 6.549 1.00 0.00 H new ATOM 522 N ALA A 38 7.783 -12.008 5.062 1.00 0.00 N ATOM 523 CA ALA A 38 7.798 -13.466 5.061 1.00 0.00 C ATOM 524 C ALA A 38 9.225 -14.000 5.120 1.00 0.00 C ATOM 525 O ALA A 38 10.165 -13.331 4.694 1.00 0.00 O ATOM 526 CB ALA A 38 7.083 -14.001 3.829 1.00 0.00 C ATOM 0 H ALA A 38 8.424 -11.579 4.394 1.00 0.00 H new ATOM 0 HA ALA A 38 7.271 -13.810 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.102 -15.091 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.049 -13.656 3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.585 -13.640 2.931 1.00 0.00 H new ATOM 532 N GLN A 39 9.378 -15.208 5.654 1.00 0.00 N ATOM 533 CA GLN A 39 10.692 -15.830 5.770 1.00 0.00 C ATOM 534 C GLN A 39 10.865 -16.933 4.732 1.00 0.00 C ATOM 535 O GLN A 39 9.912 -17.635 4.392 1.00 0.00 O ATOM 536 CB GLN A 39 10.886 -16.400 7.176 1.00 0.00 C ATOM 537 CG GLN A 39 12.342 -16.463 7.611 1.00 0.00 C ATOM 538 CD GLN A 39 12.812 -15.181 8.268 1.00 0.00 C ATOM 539 OE1 GLN A 39 12.098 -14.177 8.278 1.00 0.00 O ATOM 540 NE2 GLN A 39 14.018 -15.205 8.822 1.00 0.00 N ATOM 0 H GLN A 39 8.609 -15.775 6.013 1.00 0.00 H new ATOM 0 HA GLN A 39 11.447 -15.065 5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.329 -15.789 7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.460 -17.403 7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.474 -17.292 8.306 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.967 -16.672 6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.577 -16.058 8.791 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.386 -14.371 9.279 1.00 0.00 H new ATOM 549 N VAL A 40 12.087 -17.083 4.232 1.00 0.00 N ATOM 550 CA VAL A 40 12.386 -18.102 3.233 1.00 0.00 C ATOM 551 C VAL A 40 13.813 -18.617 3.383 1.00 0.00 C ATOM 552 O VAL A 40 14.693 -17.907 3.871 1.00 0.00 O ATOM 553 CB VAL A 40 12.194 -17.561 1.804 1.00 0.00 C ATOM 554 CG1 VAL A 40 13.329 -16.618 1.433 1.00 0.00 C ATOM 555 CG2 VAL A 40 12.095 -18.708 0.810 1.00 0.00 C ATOM 0 H VAL A 40 12.887 -16.511 4.503 1.00 0.00 H new ATOM 0 HA VAL A 40 11.688 -18.922 3.399 1.00 0.00 H new ATOM 0 HB VAL A 40 11.261 -16.999 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.176 -16.246 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.347 -15.779 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.278 -17.153 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.960 -18.308 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.010 -19.300 0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.245 -19.340 1.067 1.00 0.00 H new ATOM 565 N LYS A 41 14.037 -19.855 2.959 1.00 0.00 N ATOM 566 CA LYS A 41 15.359 -20.466 3.043 1.00 0.00 C ATOM 567 C LYS A 41 15.622 -21.360 1.835 1.00 0.00 C ATOM 568 O LYS A 41 14.690 -21.812 1.170 1.00 0.00 O ATOM 569 CB LYS A 41 15.484 -21.283 4.332 1.00 0.00 C ATOM 570 CG LYS A 41 14.659 -22.557 4.328 1.00 0.00 C ATOM 571 CD LYS A 41 15.309 -23.645 5.167 1.00 0.00 C ATOM 572 CE LYS A 41 14.350 -24.797 5.425 1.00 0.00 C ATOM 573 NZ LYS A 41 13.470 -24.535 6.596 1.00 0.00 N ATOM 0 H LYS A 41 13.320 -20.456 2.553 1.00 0.00 H new ATOM 0 HA LYS A 41 16.102 -19.668 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.532 -21.539 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.177 -20.664 5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.661 -22.347 4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.538 -22.910 3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.198 -24.017 4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.639 -23.225 6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.736 -24.964 4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.918 -25.711 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.571 -25.307 7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.743 -23.635 7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.480 -24.479 6.281 1.00 0.00 H new ATOM 587 N ILE A 42 16.897 -21.612 1.558 1.00 0.00 N ATOM 588 CA ILE A 42 17.283 -22.454 0.433 1.00 0.00 C ATOM 589 C ILE A 42 17.174 -23.932 0.790 1.00 0.00 C ATOM 590 O ILE A 42 17.782 -24.394 1.756 1.00 0.00 O ATOM 591 CB ILE A 42 18.720 -22.152 -0.030 1.00 0.00 C ATOM 592 CG1 ILE A 42 18.887 -20.656 -0.305 1.00 0.00 C ATOM 593 CG2 ILE A 42 19.060 -22.966 -1.269 1.00 0.00 C ATOM 594 CD1 ILE A 42 18.160 -20.186 -1.546 1.00 0.00 C ATOM 0 H ILE A 42 17.681 -21.245 2.098 1.00 0.00 H new ATOM 0 HA ILE A 42 16.594 -22.228 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 42 19.409 -22.435 0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.523 -20.094 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.948 -20.430 -0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 42 20.079 -22.741 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.977 -24.029 -1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.368 -22.713 -2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.322 -19.116 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.541 -20.722 -2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.093 -20.381 -1.438 1.00 0.00 H new ATOM 606 N MET A 43 16.398 -24.670 0.002 1.00 0.00 N ATOM 607 CA MET A 43 16.214 -26.098 0.234 1.00 0.00 C ATOM 608 C MET A 43 17.526 -26.854 0.047 1.00 0.00 C ATOM 609 O MET A 43 18.333 -26.514 -0.820 1.00 0.00 O ATOM 610 CB MET A 43 15.151 -26.656 -0.714 1.00 0.00 C ATOM 611 CG MET A 43 13.735 -26.544 -0.173 1.00 0.00 C ATOM 612 SD MET A 43 12.565 -27.586 -1.066 1.00 0.00 S ATOM 613 CE MET A 43 11.508 -26.346 -1.811 1.00 0.00 C ATOM 0 H MET A 43 15.887 -24.303 -0.801 1.00 0.00 H new ATOM 0 HA MET A 43 15.882 -26.234 1.263 1.00 0.00 H new ATOM 0 HB2 MET A 43 15.211 -26.127 -1.665 1.00 0.00 H new ATOM 0 HB3 MET A 43 15.372 -27.704 -0.918 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.730 -26.820 0.881 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.409 -25.506 -0.232 1.00 0.00 H new ATOM 0 HE1 MET A 43 11.197 -26.680 -2.801 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.628 -26.195 -1.186 1.00 0.00 H new ATOM 0 HE3 MET A 43 12.055 -25.408 -1.900 1.00 0.00 H new ATOM 737 N VAL A 51 17.707 -28.327 -10.229 1.00 0.00 N ATOM 738 CA VAL A 51 16.654 -27.394 -10.611 1.00 0.00 C ATOM 739 C VAL A 51 16.970 -25.982 -10.129 1.00 0.00 C ATOM 740 O VAL A 51 16.528 -25.000 -10.724 1.00 0.00 O ATOM 741 CB VAL A 51 15.289 -27.825 -10.041 1.00 0.00 C ATOM 742 CG1 VAL A 51 15.352 -27.930 -8.526 1.00 0.00 C ATOM 743 CG2 VAL A 51 14.202 -26.854 -10.473 1.00 0.00 C ATOM 0 HA VAL A 51 16.604 -27.401 -11.700 1.00 0.00 H new ATOM 0 HB VAL A 51 15.043 -28.810 -10.438 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.379 -28.235 -8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.102 -28.669 -8.243 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.620 -26.961 -8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.244 -27.173 -10.062 1.00 0.00 H new ATOM 0 HG22 VAL A 51 14.439 -25.855 -10.106 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.142 -26.836 -11.561 1.00 0.00 H new ATOM 753 N ALA A 52 17.737 -25.889 -9.047 1.00 0.00 N ATOM 754 CA ALA A 52 18.113 -24.598 -8.487 1.00 0.00 C ATOM 755 C ALA A 52 19.613 -24.358 -8.621 1.00 0.00 C ATOM 756 O ALA A 52 20.049 -23.249 -8.934 1.00 0.00 O ATOM 757 CB ALA A 52 17.691 -24.512 -7.027 1.00 0.00 C ATOM 0 H ALA A 52 18.110 -26.693 -8.542 1.00 0.00 H new ATOM 0 HA ALA A 52 17.595 -23.821 -9.049 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.978 -23.542 -6.622 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.610 -24.630 -6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 52 18.182 -25.302 -6.459 1.00 0.00 H new ATOM 763 N CYS A 53 20.398 -25.403 -8.382 1.00 0.00 N ATOM 764 CA CYS A 53 21.850 -25.305 -8.475 1.00 0.00 C ATOM 765 C CYS A 53 22.263 -24.465 -9.679 1.00 0.00 C ATOM 766 O CYS A 53 22.937 -23.446 -9.535 1.00 0.00 O ATOM 767 CB CYS A 53 22.471 -26.699 -8.573 1.00 0.00 C ATOM 768 SG CYS A 53 24.205 -26.773 -8.065 1.00 0.00 S ATOM 0 H CYS A 53 20.053 -26.327 -8.123 1.00 0.00 H new ATOM 0 HA CYS A 53 22.215 -24.816 -7.572 1.00 0.00 H new ATOM 0 HB2 CYS A 53 21.893 -27.387 -7.955 1.00 0.00 H new ATOM 0 HB3 CYS A 53 22.390 -27.050 -9.602 1.00 0.00 H new ATOM 0 HG CYS A 53 24.640 -27.993 -8.181 1.00 0.00 H new ATOM 774 N GLU A 54 21.855 -24.902 -10.867 1.00 0.00 N ATOM 775 CA GLU A 54 22.184 -24.191 -12.096 1.00 0.00 C ATOM 776 C GLU A 54 21.424 -22.870 -12.182 1.00 0.00 C ATOM 777 O GLU A 54 21.915 -21.896 -12.751 1.00 0.00 O ATOM 778 CB GLU A 54 21.862 -25.058 -13.315 1.00 0.00 C ATOM 779 CG GLU A 54 22.933 -26.090 -13.629 1.00 0.00 C ATOM 780 CD GLU A 54 22.436 -27.184 -14.554 1.00 0.00 C ATOM 781 OE1 GLU A 54 22.330 -26.928 -15.771 1.00 0.00 O ATOM 782 OE2 GLU A 54 22.153 -28.295 -14.059 1.00 0.00 O ATOM 0 H GLU A 54 21.296 -25.745 -11.003 1.00 0.00 H new ATOM 0 HA GLU A 54 23.252 -23.975 -12.085 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.915 -25.570 -13.146 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.725 -24.413 -14.183 1.00 0.00 H new ATOM 0 HG2 GLU A 54 23.788 -25.593 -14.087 1.00 0.00 H new ATOM 0 HG3 GLU A 54 23.285 -26.537 -12.699 1.00 0.00 H new ATOM 789 N GLN A 55 20.223 -22.848 -11.614 1.00 0.00 N ATOM 790 CA GLN A 55 19.394 -21.649 -11.627 1.00 0.00 C ATOM 791 C GLN A 55 20.089 -20.499 -10.905 1.00 0.00 C ATOM 792 O GLN A 55 19.899 -19.332 -11.249 1.00 0.00 O ATOM 793 CB GLN A 55 18.039 -21.932 -10.976 1.00 0.00 C ATOM 794 CG GLN A 55 17.052 -20.784 -11.102 1.00 0.00 C ATOM 795 CD GLN A 55 15.609 -21.253 -11.118 1.00 0.00 C ATOM 796 OE1 GLN A 55 14.815 -20.753 -10.180 1.00 0.00 O flip ATOM 797 NE2 GLN A 55 15.215 -22.057 -11.962 1.00 0.00 N flip ATOM 0 H GLN A 55 19.802 -23.647 -11.139 1.00 0.00 H new ATOM 0 HA GLN A 55 19.236 -21.359 -12.666 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.606 -22.824 -11.430 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.192 -22.154 -9.920 1.00 0.00 H new ATOM 0 HG2 GLN A 55 17.196 -20.093 -10.271 1.00 0.00 H new ATOM 0 HG3 GLN A 55 17.260 -20.230 -12.017 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.861 -22.416 -12.665 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.243 -22.365 -11.958 1.00 0.00 H new ATOM 806 N PHE A 56 20.893 -20.836 -9.903 1.00 0.00 N ATOM 807 CA PHE A 56 21.615 -19.832 -9.130 1.00 0.00 C ATOM 808 C PHE A 56 23.059 -19.712 -9.610 1.00 0.00 C ATOM 809 O PHE A 56 23.539 -18.615 -9.900 1.00 0.00 O ATOM 810 CB PHE A 56 21.588 -20.186 -7.642 1.00 0.00 C ATOM 811 CG PHE A 56 20.202 -20.350 -7.090 1.00 0.00 C ATOM 812 CD1 PHE A 56 19.165 -19.544 -7.532 1.00 0.00 C ATOM 813 CD2 PHE A 56 19.935 -21.311 -6.127 1.00 0.00 C ATOM 814 CE1 PHE A 56 17.888 -19.693 -7.026 1.00 0.00 C ATOM 815 CE2 PHE A 56 18.659 -21.464 -5.617 1.00 0.00 C ATOM 816 CZ PHE A 56 17.634 -20.654 -6.066 1.00 0.00 C ATOM 0 H PHE A 56 21.061 -21.797 -9.607 1.00 0.00 H new ATOM 0 HA PHE A 56 21.120 -18.872 -9.276 1.00 0.00 H new ATOM 0 HB2 PHE A 56 22.144 -21.111 -7.487 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.104 -19.406 -7.082 1.00 0.00 H new ATOM 0 HD1 PHE A 56 19.357 -18.790 -8.281 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.732 -21.947 -5.771 1.00 0.00 H new ATOM 0 HE1 PHE A 56 17.089 -19.059 -7.380 1.00 0.00 H new ATOM 0 HE2 PHE A 56 18.464 -22.217 -4.868 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.637 -20.771 -5.668 1.00 0.00 H new ATOM 904 N GLN A 62 22.873 -11.700 -4.436 1.00 0.00 N ATOM 905 CA GLN A 62 21.827 -10.689 -4.546 1.00 0.00 C ATOM 906 C GLN A 62 20.713 -11.157 -5.477 1.00 0.00 C ATOM 907 O GLN A 62 19.538 -11.143 -5.110 1.00 0.00 O ATOM 908 CB GLN A 62 22.413 -9.372 -5.054 1.00 0.00 C ATOM 909 CG GLN A 62 23.449 -8.765 -4.120 1.00 0.00 C ATOM 910 CD GLN A 62 24.857 -9.237 -4.428 1.00 0.00 C ATOM 911 OE1 GLN A 62 25.218 -9.435 -5.587 1.00 0.00 O ATOM 912 NE2 GLN A 62 25.661 -9.418 -3.385 1.00 0.00 N ATOM 0 HA GLN A 62 21.404 -10.531 -3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 62 22.870 -9.540 -6.029 1.00 0.00 H new ATOM 0 HB3 GLN A 62 21.604 -8.656 -5.200 1.00 0.00 H new ATOM 0 HG2 GLN A 62 23.409 -7.678 -4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.200 -9.022 -3.090 1.00 0.00 H new ATOM 0 HE21 GLN A 62 25.319 -9.241 -2.441 1.00 0.00 H new ATOM 0 HE22 GLN A 62 26.620 -9.734 -3.529 1.00 0.00 H new ATOM 921 N ASP A 63 21.091 -11.570 -6.681 1.00 0.00 N ATOM 922 CA ASP A 63 20.124 -12.043 -7.665 1.00 0.00 C ATOM 923 C ASP A 63 19.173 -13.062 -7.046 1.00 0.00 C ATOM 924 O ASP A 63 17.956 -12.977 -7.225 1.00 0.00 O ATOM 925 CB ASP A 63 20.845 -12.662 -8.864 1.00 0.00 C ATOM 926 CG ASP A 63 21.246 -11.628 -9.897 1.00 0.00 C ATOM 927 OD1 ASP A 63 20.354 -10.909 -10.393 1.00 0.00 O ATOM 928 OD2 ASP A 63 22.452 -11.538 -10.210 1.00 0.00 O ATOM 0 H ASP A 63 22.060 -11.587 -7.000 1.00 0.00 H new ATOM 0 HA ASP A 63 19.540 -11.187 -8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.734 -13.188 -8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 63 20.197 -13.404 -9.330 1.00 0.00 H new ATOM 933 N ILE A 64 19.733 -14.022 -6.320 1.00 0.00 N ATOM 934 CA ILE A 64 18.934 -15.056 -5.674 1.00 0.00 C ATOM 935 C ILE A 64 17.859 -14.444 -4.783 1.00 0.00 C ATOM 936 O ILE A 64 16.669 -14.503 -5.095 1.00 0.00 O ATOM 937 CB ILE A 64 19.811 -16.000 -4.829 1.00 0.00 C ATOM 938 CG1 ILE A 64 20.503 -17.028 -5.725 1.00 0.00 C ATOM 939 CG2 ILE A 64 18.970 -16.694 -3.768 1.00 0.00 C ATOM 940 CD1 ILE A 64 21.888 -17.408 -5.250 1.00 0.00 C ATOM 0 H ILE A 64 20.737 -14.106 -6.164 1.00 0.00 H new ATOM 0 HA ILE A 64 18.459 -15.630 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 64 20.578 -15.409 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 64 19.887 -17.926 -5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 64 20.572 -16.629 -6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.603 -17.358 -3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 64 18.520 -15.947 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 64 18.184 -17.275 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 64 22.319 -18.140 -5.933 1.00 0.00 H new ATOM 0 HD12 ILE A 64 22.520 -16.520 -5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 64 21.825 -17.837 -4.250 1.00 0.00 H new ATOM 952 N LYS A 65 18.285 -13.854 -3.672 1.00 0.00 N ATOM 953 CA LYS A 65 17.360 -13.227 -2.734 1.00 0.00 C ATOM 954 C LYS A 65 16.243 -12.501 -3.477 1.00 0.00 C ATOM 955 O LYS A 65 15.094 -12.493 -3.035 1.00 0.00 O ATOM 956 CB LYS A 65 18.107 -12.245 -1.829 1.00 0.00 C ATOM 957 CG LYS A 65 18.975 -12.922 -0.783 1.00 0.00 C ATOM 958 CD LYS A 65 19.614 -11.909 0.153 1.00 0.00 C ATOM 959 CE LYS A 65 19.904 -12.516 1.517 1.00 0.00 C ATOM 960 NZ LYS A 65 19.941 -11.481 2.587 1.00 0.00 N ATOM 0 H LYS A 65 19.266 -13.796 -3.398 1.00 0.00 H new ATOM 0 HA LYS A 65 16.916 -14.011 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.732 -11.599 -2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.383 -11.603 -1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.371 -13.622 -0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 65 19.753 -13.504 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 65 20.541 -11.540 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 65 18.952 -11.051 0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.141 -13.257 1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 65 20.859 -13.041 1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 20.141 -11.934 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 20.686 -10.788 2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 19.021 -10.997 2.634 1.00 0.00 H new ATOM 974 N ASN A 66 16.587 -11.894 -4.608 1.00 0.00 N ATOM 975 CA ASN A 66 15.611 -11.166 -5.412 1.00 0.00 C ATOM 976 C ASN A 66 14.662 -12.128 -6.119 1.00 0.00 C ATOM 977 O ASN A 66 13.443 -11.959 -6.076 1.00 0.00 O ATOM 978 CB ASN A 66 16.323 -10.287 -6.442 1.00 0.00 C ATOM 979 CG ASN A 66 16.806 -8.977 -5.848 1.00 0.00 C ATOM 980 OD1 ASN A 66 16.006 -8.113 -5.489 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.121 -8.824 -5.743 1.00 0.00 N ATOM 0 H ASN A 66 17.533 -11.891 -4.989 1.00 0.00 H new ATOM 0 HA ASN A 66 15.027 -10.533 -4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.173 -10.831 -6.855 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.645 -10.080 -7.270 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.505 -7.964 -5.352 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.747 -9.567 -6.053 1.00 0.00 H new ATOM 988 N VAL A 67 15.229 -13.141 -6.767 1.00 0.00 N ATOM 989 CA VAL A 67 14.433 -14.133 -7.482 1.00 0.00 C ATOM 990 C VAL A 67 13.333 -14.698 -6.593 1.00 0.00 C ATOM 991 O VAL A 67 12.169 -14.761 -6.991 1.00 0.00 O ATOM 992 CB VAL A 67 15.310 -15.291 -7.995 1.00 0.00 C ATOM 993 CG1 VAL A 67 14.474 -16.280 -8.791 1.00 0.00 C ATOM 994 CG2 VAL A 67 16.461 -14.755 -8.834 1.00 0.00 C ATOM 0 H VAL A 67 16.236 -13.297 -6.812 1.00 0.00 H new ATOM 0 HA VAL A 67 13.982 -13.624 -8.334 1.00 0.00 H new ATOM 0 HB VAL A 67 15.730 -15.815 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.110 -17.091 -9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.688 -16.687 -8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.024 -15.772 -9.644 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.071 -15.586 -9.189 1.00 0.00 H new ATOM 0 HG22 VAL A 67 16.064 -14.206 -9.688 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.074 -14.088 -8.227 1.00 0.00 H new ATOM 1004 N VAL A 68 13.706 -15.108 -5.386 1.00 0.00 N ATOM 1005 CA VAL A 68 12.751 -15.667 -4.437 1.00 0.00 C ATOM 1006 C VAL A 68 11.727 -14.623 -4.008 1.00 0.00 C ATOM 1007 O VAL A 68 10.522 -14.878 -4.015 1.00 0.00 O ATOM 1008 CB VAL A 68 13.458 -16.220 -3.186 1.00 0.00 C ATOM 1009 CG1 VAL A 68 12.440 -16.735 -2.180 1.00 0.00 C ATOM 1010 CG2 VAL A 68 14.441 -17.316 -3.571 1.00 0.00 C ATOM 0 H VAL A 68 14.665 -15.064 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 68 12.241 -16.484 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 68 14.017 -15.410 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.959 -17.122 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.780 -15.921 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.851 -17.532 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.932 -17.696 -2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.906 -18.128 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.190 -16.910 -4.251 1.00 0.00 H new ATOM 1020 N LEU A 69 12.213 -13.444 -3.635 1.00 0.00 N ATOM 1021 CA LEU A 69 11.340 -12.358 -3.203 1.00 0.00 C ATOM 1022 C LEU A 69 10.339 -11.996 -4.296 1.00 0.00 C ATOM 1023 O LEU A 69 9.198 -11.633 -4.009 1.00 0.00 O ATOM 1024 CB LEU A 69 12.170 -11.129 -2.828 1.00 0.00 C ATOM 1025 CG LEU A 69 11.397 -9.819 -2.674 1.00 0.00 C ATOM 1026 CD1 LEU A 69 10.743 -9.744 -1.302 1.00 0.00 C ATOM 1027 CD2 LEU A 69 12.316 -8.627 -2.894 1.00 0.00 C ATOM 0 H LEU A 69 13.207 -13.216 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 69 10.786 -12.696 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.686 -11.336 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.937 -10.988 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 69 10.613 -9.791 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.197 -8.805 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.052 -10.579 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.511 -9.795 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.748 -7.704 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.123 -8.649 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.737 -8.673 -3.898 1.00 0.00 H new ATOM 1039 N GLN A 70 10.774 -12.101 -5.547 1.00 0.00 N ATOM 1040 CA GLN A 70 9.914 -11.786 -6.682 1.00 0.00 C ATOM 1041 C GLN A 70 8.704 -12.714 -6.723 1.00 0.00 C ATOM 1042 O GLN A 70 7.590 -12.286 -7.029 1.00 0.00 O ATOM 1043 CB GLN A 70 10.700 -11.896 -7.990 1.00 0.00 C ATOM 1044 CG GLN A 70 11.610 -10.708 -8.254 1.00 0.00 C ATOM 1045 CD GLN A 70 12.330 -10.809 -9.585 1.00 0.00 C ATOM 1046 OE1 GLN A 70 11.950 -11.597 -10.451 1.00 0.00 O ATOM 1047 NE2 GLN A 70 13.376 -10.009 -9.755 1.00 0.00 N ATOM 0 H GLN A 70 11.715 -12.401 -5.801 1.00 0.00 H new ATOM 0 HA GLN A 70 9.560 -10.762 -6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.301 -12.805 -7.968 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.999 -11.997 -8.818 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.020 -9.792 -8.233 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.345 -10.633 -7.452 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.656 -9.371 -9.010 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.899 -10.033 -10.630 1.00 0.00 H new ATOM 1056 N THR A 71 8.930 -13.987 -6.413 1.00 0.00 N ATOM 1057 CA THR A 71 7.859 -14.975 -6.414 1.00 0.00 C ATOM 1058 C THR A 71 6.763 -14.601 -5.423 1.00 0.00 C ATOM 1059 O THR A 71 5.596 -14.467 -5.792 1.00 0.00 O ATOM 1060 CB THR A 71 8.390 -16.379 -6.071 1.00 0.00 C ATOM 1061 OG1 THR A 71 9.417 -16.755 -6.994 1.00 0.00 O ATOM 1062 CG2 THR A 71 7.268 -17.406 -6.107 1.00 0.00 C ATOM 0 H THR A 71 9.845 -14.358 -6.158 1.00 0.00 H new ATOM 0 HA THR A 71 7.443 -14.988 -7.421 1.00 0.00 H new ATOM 0 HB THR A 71 8.803 -16.350 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.209 -16.196 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.667 -18.390 -5.861 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.502 -17.134 -5.381 1.00 0.00 H new ATOM 0 HG23 THR A 71 6.830 -17.431 -7.105 1.00 0.00 H new ATOM 1070 N LEU A 72 7.146 -14.433 -4.161 1.00 0.00 N ATOM 1071 CA LEU A 72 6.195 -14.074 -3.115 1.00 0.00 C ATOM 1072 C LEU A 72 5.560 -12.717 -3.400 1.00 0.00 C ATOM 1073 O LEU A 72 4.356 -12.534 -3.220 1.00 0.00 O ATOM 1074 CB LEU A 72 6.891 -14.048 -1.753 1.00 0.00 C ATOM 1075 CG LEU A 72 7.453 -15.382 -1.261 1.00 0.00 C ATOM 1076 CD1 LEU A 72 8.216 -15.194 0.040 1.00 0.00 C ATOM 1077 CD2 LEU A 72 6.333 -16.399 -1.082 1.00 0.00 C ATOM 0 H LEU A 72 8.108 -14.540 -3.838 1.00 0.00 H new ATOM 0 HA LEU A 72 5.407 -14.827 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.707 -13.327 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.182 -13.680 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 72 8.146 -15.761 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.608 -16.155 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.042 -14.501 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.546 -14.792 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.751 -17.343 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.616 -16.026 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.829 -16.557 -2.036 1.00 0.00 H new ATOM 1089 N GLU A 73 6.378 -11.768 -3.847 1.00 0.00 N ATOM 1090 CA GLU A 73 5.894 -10.428 -4.157 1.00 0.00 C ATOM 1091 C GLU A 73 4.793 -10.478 -5.213 1.00 0.00 C ATOM 1092 O GLU A 73 3.672 -10.028 -4.979 1.00 0.00 O ATOM 1093 CB GLU A 73 7.045 -9.547 -4.647 1.00 0.00 C ATOM 1094 CG GLU A 73 7.865 -8.936 -3.522 1.00 0.00 C ATOM 1095 CD GLU A 73 8.773 -7.821 -4.002 1.00 0.00 C ATOM 1096 OE1 GLU A 73 9.476 -8.023 -5.013 1.00 0.00 O ATOM 1097 OE2 GLU A 73 8.780 -6.746 -3.366 1.00 0.00 O ATOM 0 H GLU A 73 7.377 -11.903 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 73 5.480 -9.999 -3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.701 -10.141 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.641 -8.747 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.193 -8.548 -2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.468 -9.714 -3.053 1.00 0.00 H new ATOM 1104 N GLY A 74 5.122 -11.029 -6.377 1.00 0.00 N ATOM 1105 CA GLY A 74 4.152 -11.127 -7.453 1.00 0.00 C ATOM 1106 C GLY A 74 2.793 -11.590 -6.966 1.00 0.00 C ATOM 1107 O GLY A 74 1.766 -11.023 -7.339 1.00 0.00 O ATOM 0 H GLY A 74 6.043 -11.410 -6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.050 -10.155 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.520 -11.821 -8.208 1.00 0.00 H new ATOM 1111 N HIS A 75 2.786 -12.625 -6.133 1.00 0.00 N ATOM 1112 CA HIS A 75 1.542 -13.166 -5.595 1.00 0.00 C ATOM 1113 C HIS A 75 0.791 -12.107 -4.794 1.00 0.00 C ATOM 1114 O HIS A 75 -0.439 -12.050 -4.820 1.00 0.00 O ATOM 1115 CB HIS A 75 1.828 -14.382 -4.714 1.00 0.00 C ATOM 1116 CG HIS A 75 2.400 -15.545 -5.464 1.00 0.00 C ATOM 1117 ND1 HIS A 75 3.594 -16.174 -5.349 1.00 0.00 N flip ATOM 1118 CD2 HIS A 75 1.722 -16.195 -6.475 1.00 0.00 C flip ATOM 1119 CE1 HIS A 75 3.615 -17.182 -6.280 1.00 0.00 C flip ATOM 1120 NE2 HIS A 75 2.474 -17.174 -6.946 1.00 0.00 N flip ATOM 0 H HIS A 75 3.627 -13.106 -5.815 1.00 0.00 H new ATOM 0 HA HIS A 75 0.916 -13.474 -6.433 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.522 -14.093 -3.925 1.00 0.00 H new ATOM 0 HB3 HIS A 75 0.903 -14.693 -4.228 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.732 -15.943 -6.826 1.00 0.00 H new ATOM 0 HE1 HIS A 75 4.432 -17.870 -6.442 1.00 0.00 H new ATOM 0 HE2 HIS A 75 2.217 -17.815 -7.697 1.00 0.00 H new ATOM 1129 N LEU A 76 1.538 -11.270 -4.083 1.00 0.00 N ATOM 1130 CA LEU A 76 0.943 -10.213 -3.272 1.00 0.00 C ATOM 1131 C LEU A 76 0.083 -9.290 -4.129 1.00 0.00 C ATOM 1132 O LEU A 76 -1.125 -9.180 -3.919 1.00 0.00 O ATOM 1133 CB LEU A 76 2.036 -9.406 -2.570 1.00 0.00 C ATOM 1134 CG LEU A 76 1.596 -8.602 -1.347 1.00 0.00 C ATOM 1135 CD1 LEU A 76 1.288 -9.529 -0.181 1.00 0.00 C ATOM 1136 CD2 LEU A 76 2.666 -7.592 -0.958 1.00 0.00 C ATOM 0 H LEU A 76 2.557 -11.302 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 76 0.306 -10.679 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.826 -10.092 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.473 -8.718 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 76 0.687 -8.058 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.976 -8.939 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.487 -10.213 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.180 -10.101 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.335 -7.029 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.592 -8.116 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.838 -6.907 -1.788 1.00 0.00 H new ATOM 1148 N ARG A 77 0.713 -8.630 -5.095 1.00 0.00 N ATOM 1149 CA ARG A 77 0.005 -7.717 -5.984 1.00 0.00 C ATOM 1150 C ARG A 77 -1.179 -8.413 -6.648 1.00 0.00 C ATOM 1151 O ARG A 77 -2.262 -7.841 -6.765 1.00 0.00 O ATOM 1152 CB ARG A 77 0.955 -7.173 -7.053 1.00 0.00 C ATOM 1153 CG ARG A 77 0.450 -5.910 -7.730 1.00 0.00 C ATOM 1154 CD ARG A 77 1.600 -5.036 -8.209 1.00 0.00 C ATOM 1155 NE ARG A 77 1.127 -3.825 -8.874 1.00 0.00 N ATOM 1156 CZ ARG A 77 1.868 -2.732 -9.024 1.00 0.00 C ATOM 1157 NH1 ARG A 77 3.109 -2.700 -8.559 1.00 0.00 N ATOM 1158 NH2 ARG A 77 1.366 -1.670 -9.642 1.00 0.00 N ATOM 0 H ARG A 77 1.712 -8.710 -5.282 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.372 -6.887 -5.386 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.923 -6.968 -6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.116 -7.941 -7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.182 -6.178 -8.577 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.171 -5.346 -7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.225 -4.762 -7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.226 -5.605 -8.896 1.00 0.00 H new ATOM 0 HE ARG A 77 0.176 -3.818 -9.243 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.497 -3.515 -8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.676 -1.860 -8.675 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.412 -1.693 -10.002 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.934 -0.831 -9.757 1.00 0.00 H new ATOM 1172 N SER A 78 -0.965 -9.651 -7.081 1.00 0.00 N ATOM 1173 CA SER A 78 -2.013 -10.425 -7.737 1.00 0.00 C ATOM 1174 C SER A 78 -3.200 -10.633 -6.801 1.00 0.00 C ATOM 1175 O SER A 78 -4.298 -10.139 -7.055 1.00 0.00 O ATOM 1176 CB SER A 78 -1.466 -11.778 -8.195 1.00 0.00 C ATOM 1177 OG SER A 78 -0.879 -11.681 -9.481 1.00 0.00 O ATOM 0 H SER A 78 -0.075 -10.140 -6.989 1.00 0.00 H new ATOM 0 HA SER A 78 -2.353 -9.866 -8.608 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.725 -12.136 -7.480 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.271 -12.512 -8.214 1.00 0.00 H new ATOM 0 HG SER A 78 -0.535 -12.558 -9.751 1.00 0.00 H new ATOM 1183 N ILE A 79 -2.969 -11.368 -5.719 1.00 0.00 N ATOM 1184 CA ILE A 79 -4.018 -11.642 -4.744 1.00 0.00 C ATOM 1185 C ILE A 79 -4.655 -10.350 -4.244 1.00 0.00 C ATOM 1186 O ILE A 79 -5.846 -10.311 -3.933 1.00 0.00 O ATOM 1187 CB ILE A 79 -3.475 -12.433 -3.539 1.00 0.00 C ATOM 1188 CG1 ILE A 79 -2.813 -13.730 -4.010 1.00 0.00 C ATOM 1189 CG2 ILE A 79 -4.595 -12.732 -2.554 1.00 0.00 C ATOM 1190 CD1 ILE A 79 -3.796 -14.760 -4.521 1.00 0.00 C ATOM 0 H ILE A 79 -2.065 -11.785 -5.495 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.772 -12.243 -5.253 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.724 -11.826 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.099 -13.498 -4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.246 -14.159 -3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.196 -13.291 -1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.027 -11.796 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.366 -13.323 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.256 -15.653 -4.837 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.495 -15.021 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.346 -14.349 -5.368 1.00 0.00 H new ATOM 1202 N LEU A 80 -3.854 -9.292 -4.171 1.00 0.00 N ATOM 1203 CA LEU A 80 -4.339 -7.995 -3.710 1.00 0.00 C ATOM 1204 C LEU A 80 -5.243 -7.350 -4.756 1.00 0.00 C ATOM 1205 O LEU A 80 -6.282 -6.781 -4.426 1.00 0.00 O ATOM 1206 CB LEU A 80 -3.161 -7.071 -3.395 1.00 0.00 C ATOM 1207 CG LEU A 80 -3.466 -5.882 -2.483 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -2.216 -5.451 -1.733 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.034 -4.723 -3.290 1.00 0.00 C ATOM 0 H LEU A 80 -2.866 -9.307 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.921 -8.153 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.373 -7.665 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.763 -6.689 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.214 -6.190 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.452 -4.604 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.853 -6.279 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.445 -5.160 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.245 -3.886 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.309 -4.414 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.955 -5.038 -3.780 1.00 0.00 H new ATOM 1221 N GLY A 81 -4.839 -7.444 -6.019 1.00 0.00 N ATOM 1222 CA GLY A 81 -5.625 -6.865 -7.094 1.00 0.00 C ATOM 1223 C GLY A 81 -7.085 -7.266 -7.024 1.00 0.00 C ATOM 1224 O GLY A 81 -7.973 -6.412 -7.023 1.00 0.00 O ATOM 0 H GLY A 81 -3.982 -7.910 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.547 -5.779 -7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.211 -7.178 -8.052 1.00 0.00 H new ATOM 1228 N THR A 82 -7.336 -8.570 -6.970 1.00 0.00 N ATOM 1229 CA THR A 82 -8.699 -9.083 -6.904 1.00 0.00 C ATOM 1230 C THR A 82 -9.352 -8.738 -5.570 1.00 0.00 C ATOM 1231 O THR A 82 -10.576 -8.629 -5.477 1.00 0.00 O ATOM 1232 CB THR A 82 -8.735 -10.611 -7.100 1.00 0.00 C ATOM 1233 OG1 THR A 82 -10.091 -11.071 -7.122 1.00 0.00 O ATOM 1234 CG2 THR A 82 -7.973 -11.316 -5.988 1.00 0.00 C ATOM 0 H THR A 82 -6.614 -9.290 -6.971 1.00 0.00 H new ATOM 0 HA THR A 82 -9.255 -8.607 -7.712 1.00 0.00 H new ATOM 0 HB THR A 82 -8.258 -10.845 -8.052 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.105 -12.043 -7.248 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.012 -12.394 -6.147 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.934 -10.986 -5.993 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.426 -11.074 -5.027 1.00 0.00 H new ATOM 1242 N LEU A 83 -8.531 -8.566 -4.541 1.00 0.00 N ATOM 1243 CA LEU A 83 -9.028 -8.233 -3.211 1.00 0.00 C ATOM 1244 C LEU A 83 -9.263 -6.730 -3.079 1.00 0.00 C ATOM 1245 O LEU A 83 -8.425 -5.923 -3.480 1.00 0.00 O ATOM 1246 CB LEU A 83 -8.041 -8.702 -2.142 1.00 0.00 C ATOM 1247 CG LEU A 83 -8.639 -9.030 -0.774 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -9.394 -10.349 -0.823 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -7.548 -9.077 0.287 1.00 0.00 C ATOM 0 H LEU A 83 -7.516 -8.652 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.979 -8.746 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.528 -9.589 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.285 -7.928 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.344 -8.242 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.812 -10.565 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.200 -10.280 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.711 -11.149 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.991 -9.312 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.819 -9.845 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.051 -8.108 0.341 1.00 0.00 H new ATOM 1261 N THR A 84 -10.407 -6.363 -2.511 1.00 0.00 N ATOM 1262 CA THR A 84 -10.751 -4.960 -2.324 1.00 0.00 C ATOM 1263 C THR A 84 -9.920 -4.332 -1.210 1.00 0.00 C ATOM 1264 O THR A 84 -9.452 -5.025 -0.306 1.00 0.00 O ATOM 1265 CB THR A 84 -12.246 -4.787 -1.992 1.00 0.00 C ATOM 1266 OG1 THR A 84 -12.634 -5.722 -0.979 1.00 0.00 O ATOM 1267 CG2 THR A 84 -13.102 -4.991 -3.232 1.00 0.00 C ATOM 0 H THR A 84 -11.111 -7.019 -2.172 1.00 0.00 H new ATOM 0 HA THR A 84 -10.533 -4.455 -3.265 1.00 0.00 H new ATOM 0 HB THR A 84 -12.400 -3.772 -1.627 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.585 -5.605 -0.772 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.153 -4.864 -2.973 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.824 -4.259 -3.990 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.943 -5.996 -3.622 1.00 0.00 H new ATOM 1275 N VAL A 85 -9.739 -3.018 -1.281 1.00 0.00 N ATOM 1276 CA VAL A 85 -8.965 -2.297 -0.278 1.00 0.00 C ATOM 1277 C VAL A 85 -9.573 -2.465 1.110 1.00 0.00 C ATOM 1278 O VAL A 85 -8.858 -2.673 2.090 1.00 0.00 O ATOM 1279 CB VAL A 85 -8.876 -0.795 -0.610 1.00 0.00 C ATOM 1280 CG1 VAL A 85 -10.265 -0.213 -0.825 1.00 0.00 C ATOM 1281 CG2 VAL A 85 -8.142 -0.049 0.494 1.00 0.00 C ATOM 0 H VAL A 85 -10.118 -2.430 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.962 -2.723 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.311 -0.677 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.183 0.849 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.752 -0.730 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.857 -0.340 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.088 1.010 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.678 -0.173 1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.133 -0.450 0.595 1.00 0.00 H new ATOM 1291 N GLU A 86 -10.897 -2.374 1.185 1.00 0.00 N ATOM 1292 CA GLU A 86 -11.600 -2.516 2.455 1.00 0.00 C ATOM 1293 C GLU A 86 -11.355 -3.894 3.062 1.00 0.00 C ATOM 1294 O GLU A 86 -11.260 -4.038 4.281 1.00 0.00 O ATOM 1295 CB GLU A 86 -13.101 -2.293 2.259 1.00 0.00 C ATOM 1296 CG GLU A 86 -13.751 -3.307 1.332 1.00 0.00 C ATOM 1297 CD GLU A 86 -15.168 -2.925 0.951 1.00 0.00 C ATOM 1298 OE1 GLU A 86 -15.402 -1.733 0.660 1.00 0.00 O ATOM 1299 OE2 GLU A 86 -16.043 -3.816 0.946 1.00 0.00 O ATOM 0 H GLU A 86 -11.504 -2.203 0.383 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.214 -1.762 3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.595 -2.332 3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.262 -1.292 1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.150 -3.405 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.760 -4.283 1.817 1.00 0.00 H new ATOM 1306 N GLN A 87 -11.251 -4.903 2.203 1.00 0.00 N ATOM 1307 CA GLN A 87 -11.018 -6.270 2.655 1.00 0.00 C ATOM 1308 C GLN A 87 -9.620 -6.416 3.245 1.00 0.00 C ATOM 1309 O GLN A 87 -9.453 -6.937 4.348 1.00 0.00 O ATOM 1310 CB GLN A 87 -11.201 -7.251 1.496 1.00 0.00 C ATOM 1311 CG GLN A 87 -12.651 -7.633 1.246 1.00 0.00 C ATOM 1312 CD GLN A 87 -13.108 -8.789 2.114 1.00 0.00 C ATOM 1313 OE1 GLN A 87 -14.085 -8.676 2.854 1.00 0.00 O ATOM 1314 NE2 GLN A 87 -12.401 -9.910 2.027 1.00 0.00 N ATOM 0 H GLN A 87 -11.324 -4.800 1.191 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.747 -6.499 3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.789 -6.810 0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.626 -8.154 1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.288 -6.769 1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.777 -7.900 0.197 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.598 -9.959 1.400 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.661 -10.722 2.587 1.00 0.00 H new ATOM 1323 N ILE A 88 -8.619 -5.954 2.503 1.00 0.00 N ATOM 1324 CA ILE A 88 -7.235 -6.034 2.953 1.00 0.00 C ATOM 1325 C ILE A 88 -7.099 -5.568 4.398 1.00 0.00 C ATOM 1326 O ILE A 88 -6.318 -6.124 5.171 1.00 0.00 O ATOM 1327 CB ILE A 88 -6.303 -5.190 2.063 1.00 0.00 C ATOM 1328 CG1 ILE A 88 -6.264 -5.760 0.644 1.00 0.00 C ATOM 1329 CG2 ILE A 88 -4.904 -5.139 2.659 1.00 0.00 C ATOM 1330 CD1 ILE A 88 -5.917 -4.731 -0.410 1.00 0.00 C ATOM 0 H ILE A 88 -8.741 -5.521 1.588 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.941 -7.081 2.882 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.693 -4.173 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.534 -6.568 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.235 -6.196 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.257 -4.539 2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.948 -4.691 3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.503 -6.150 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.907 -5.205 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.660 -3.934 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.933 -4.312 -0.200 1.00 0.00 H new ATOM 1342 N TYR A 89 -7.866 -4.544 4.759 1.00 0.00 N ATOM 1343 CA TYR A 89 -7.831 -4.002 6.111 1.00 0.00 C ATOM 1344 C TYR A 89 -8.580 -4.910 7.082 1.00 0.00 C ATOM 1345 O TYR A 89 -8.092 -5.211 8.169 1.00 0.00 O ATOM 1346 CB TYR A 89 -8.439 -2.598 6.136 1.00 0.00 C ATOM 1347 CG TYR A 89 -7.510 -1.527 5.610 1.00 0.00 C ATOM 1348 CD1 TYR A 89 -6.289 -1.277 6.220 1.00 0.00 C ATOM 1349 CD2 TYR A 89 -7.856 -0.765 4.500 1.00 0.00 C ATOM 1350 CE1 TYR A 89 -5.438 -0.299 5.743 1.00 0.00 C ATOM 1351 CE2 TYR A 89 -7.011 0.214 4.015 1.00 0.00 C ATOM 1352 CZ TYR A 89 -5.804 0.444 4.639 1.00 0.00 C ATOM 1353 OH TYR A 89 -4.958 1.418 4.160 1.00 0.00 O ATOM 0 H TYR A 89 -8.519 -4.073 4.133 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.789 -3.945 6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.354 -2.597 5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.722 -2.352 7.159 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.999 -1.857 7.083 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.801 -0.941 4.009 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.492 -0.117 6.231 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.295 0.796 3.151 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.030 1.167 4.349 1.00 0.00 H new ATOM 1363 N GLN A 90 -9.770 -5.343 6.677 1.00 0.00 N ATOM 1364 CA GLN A 90 -10.588 -6.217 7.509 1.00 0.00 C ATOM 1365 C GLN A 90 -9.722 -7.232 8.248 1.00 0.00 C ATOM 1366 O GLN A 90 -9.594 -7.180 9.472 1.00 0.00 O ATOM 1367 CB GLN A 90 -11.629 -6.942 6.656 1.00 0.00 C ATOM 1368 CG GLN A 90 -12.951 -6.199 6.545 1.00 0.00 C ATOM 1369 CD GLN A 90 -13.930 -6.886 5.615 1.00 0.00 C ATOM 1370 OE1 GLN A 90 -14.433 -6.280 4.668 1.00 0.00 O ATOM 1371 NE2 GLN A 90 -14.208 -8.158 5.879 1.00 0.00 N ATOM 0 H GLN A 90 -10.189 -5.103 5.778 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.101 -5.599 8.246 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.223 -7.096 5.656 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.811 -7.929 7.081 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.398 -6.110 7.535 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.765 -5.186 6.187 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.769 -8.622 6.674 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.861 -8.671 5.287 1.00 0.00 H new ATOM 1380 N ASP A 91 -9.130 -8.153 7.497 1.00 0.00 N ATOM 1381 CA ASP A 91 -8.275 -9.181 8.082 1.00 0.00 C ATOM 1382 C ASP A 91 -6.990 -9.342 7.274 1.00 0.00 C ATOM 1383 O ASP A 91 -7.028 -9.665 6.086 1.00 0.00 O ATOM 1384 CB ASP A 91 -9.018 -10.515 8.150 1.00 0.00 C ATOM 1385 CG ASP A 91 -10.038 -10.668 7.039 1.00 0.00 C ATOM 1386 OD1 ASP A 91 -9.630 -10.692 5.858 1.00 0.00 O ATOM 1387 OD2 ASP A 91 -11.244 -10.765 7.349 1.00 0.00 O ATOM 0 H ASP A 91 -9.225 -8.210 6.483 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.012 -8.868 9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.298 -11.332 8.093 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.520 -10.599 9.114 1.00 0.00 H new ATOM 1392 N ARG A 92 -5.855 -9.114 7.926 1.00 0.00 N ATOM 1393 CA ARG A 92 -4.559 -9.231 7.269 1.00 0.00 C ATOM 1394 C ARG A 92 -4.040 -10.664 7.342 1.00 0.00 C ATOM 1395 O ARG A 92 -3.789 -11.298 6.317 1.00 0.00 O ATOM 1396 CB ARG A 92 -3.550 -8.277 7.909 1.00 0.00 C ATOM 1397 CG ARG A 92 -3.978 -6.820 7.868 1.00 0.00 C ATOM 1398 CD ARG A 92 -2.986 -5.928 8.598 1.00 0.00 C ATOM 1399 NE ARG A 92 -3.293 -5.816 10.021 1.00 0.00 N ATOM 1400 CZ ARG A 92 -2.824 -4.849 10.801 1.00 0.00 C ATOM 1401 NH1 ARG A 92 -2.032 -3.912 10.298 1.00 0.00 N ATOM 1402 NH2 ARG A 92 -3.148 -4.815 12.087 1.00 0.00 N ATOM 0 H ARG A 92 -5.807 -8.847 8.909 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.686 -8.962 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.392 -8.571 8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.592 -8.380 7.399 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.067 -6.495 6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.964 -6.716 8.321 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.980 -6.329 8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.991 -4.936 8.147 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.902 -6.520 10.439 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.781 -3.933 9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.673 -3.170 10.900 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.758 -5.532 12.478 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.787 -4.071 12.684 1.00 0.00 H new ATOM 1416 N ASP A 93 -3.880 -11.167 8.561 1.00 0.00 N ATOM 1417 CA ASP A 93 -3.390 -12.525 8.769 1.00 0.00 C ATOM 1418 C ASP A 93 -3.944 -13.471 7.708 1.00 0.00 C ATOM 1419 O ASP A 93 -3.218 -14.306 7.170 1.00 0.00 O ATOM 1420 CB ASP A 93 -3.776 -13.021 10.164 1.00 0.00 C ATOM 1421 CG ASP A 93 -5.203 -12.664 10.531 1.00 0.00 C ATOM 1422 OD1 ASP A 93 -5.460 -11.481 10.836 1.00 0.00 O ATOM 1423 OD2 ASP A 93 -6.064 -13.569 10.510 1.00 0.00 O ATOM 0 H ASP A 93 -4.082 -10.655 9.420 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.303 -12.510 8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.652 -14.103 10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.096 -12.592 10.900 1.00 0.00 H new ATOM 1428 N GLN A 94 -5.233 -13.333 7.415 1.00 0.00 N ATOM 1429 CA GLN A 94 -5.883 -14.177 6.419 1.00 0.00 C ATOM 1430 C GLN A 94 -5.318 -13.911 5.027 1.00 0.00 C ATOM 1431 O GLN A 94 -5.105 -14.838 4.245 1.00 0.00 O ATOM 1432 CB GLN A 94 -7.393 -13.936 6.424 1.00 0.00 C ATOM 1433 CG GLN A 94 -8.169 -14.921 5.565 1.00 0.00 C ATOM 1434 CD GLN A 94 -8.117 -14.577 4.090 1.00 0.00 C ATOM 1435 OE1 GLN A 94 -8.240 -15.591 3.241 1.00 0.00 O flip ATOM 1436 NE2 GLN A 94 -7.966 -13.413 3.717 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.847 -12.646 7.852 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.687 -15.218 6.677 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.758 -13.994 7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.592 -12.924 6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.767 -15.923 5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.208 -14.942 5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.876 -12.665 4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.931 -13.197 2.721 1.00 0.00 H new ATOM 1445 N PHE A 95 -5.078 -12.640 4.725 1.00 0.00 N ATOM 1446 CA PHE A 95 -4.540 -12.251 3.426 1.00 0.00 C ATOM 1447 C PHE A 95 -3.230 -12.979 3.141 1.00 0.00 C ATOM 1448 O PHE A 95 -3.137 -13.769 2.201 1.00 0.00 O ATOM 1449 CB PHE A 95 -4.318 -10.738 3.374 1.00 0.00 C ATOM 1450 CG PHE A 95 -4.080 -10.215 1.986 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -4.891 -10.611 0.934 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -3.047 -9.326 1.733 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -4.676 -10.131 -0.343 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -2.828 -8.843 0.458 1.00 0.00 C ATOM 1455 CZ PHE A 95 -3.642 -9.246 -0.582 1.00 0.00 C ATOM 0 H PHE A 95 -5.247 -11.861 5.362 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.265 -12.531 2.662 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.188 -10.236 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.464 -10.482 4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.700 -11.303 1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.406 -9.008 2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.315 -10.447 -1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.020 -8.150 0.274 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.471 -8.870 -1.580 1.00 0.00 H new ATOM 1465 N ALA A 96 -2.219 -12.709 3.960 1.00 0.00 N ATOM 1466 CA ALA A 96 -0.915 -13.338 3.797 1.00 0.00 C ATOM 1467 C ALA A 96 -1.053 -14.841 3.585 1.00 0.00 C ATOM 1468 O ALA A 96 -0.351 -15.431 2.762 1.00 0.00 O ATOM 1469 CB ALA A 96 -0.036 -13.053 5.007 1.00 0.00 C ATOM 0 H ALA A 96 -2.278 -12.058 4.743 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.443 -12.914 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.935 -13.529 4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.099 -11.977 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.512 -13.449 5.904 1.00 0.00 H new ATOM 1475 N LYS A 97 -1.962 -15.459 4.333 1.00 0.00 N ATOM 1476 CA LYS A 97 -2.193 -16.895 4.226 1.00 0.00 C ATOM 1477 C LYS A 97 -2.416 -17.304 2.774 1.00 0.00 C ATOM 1478 O LYS A 97 -1.958 -18.361 2.339 1.00 0.00 O ATOM 1479 CB LYS A 97 -3.402 -17.301 5.073 1.00 0.00 C ATOM 1480 CG LYS A 97 -3.497 -18.796 5.320 1.00 0.00 C ATOM 1481 CD LYS A 97 -4.867 -19.189 5.847 1.00 0.00 C ATOM 1482 CE LYS A 97 -4.995 -18.902 7.335 1.00 0.00 C ATOM 1483 NZ LYS A 97 -4.083 -19.758 8.145 1.00 0.00 N ATOM 0 H LYS A 97 -2.551 -14.987 5.020 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.307 -17.409 4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.353 -16.785 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.312 -16.965 4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.296 -19.332 4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.731 -19.097 6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.638 -18.643 5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.038 -20.250 5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.770 -17.852 7.523 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.025 -19.069 7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.439 -19.819 9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.043 -20.711 7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.130 -19.342 8.149 1.00 0.00 H new ATOM 1497 N LEU A 98 -3.120 -16.459 2.028 1.00 0.00 N ATOM 1498 CA LEU A 98 -3.402 -16.733 0.622 1.00 0.00 C ATOM 1499 C LEU A 98 -2.170 -16.475 -0.240 1.00 0.00 C ATOM 1500 O LEU A 98 -1.885 -17.226 -1.174 1.00 0.00 O ATOM 1501 CB LEU A 98 -4.567 -15.869 0.139 1.00 0.00 C ATOM 1502 CG LEU A 98 -5.773 -15.781 1.076 1.00 0.00 C ATOM 1503 CD1 LEU A 98 -6.827 -14.846 0.505 1.00 0.00 C ATOM 1504 CD2 LEU A 98 -6.359 -17.163 1.321 1.00 0.00 C ATOM 0 H LEU A 98 -3.506 -15.580 2.372 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.674 -17.784 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.195 -14.860 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.906 -16.256 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.438 -15.376 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.677 -14.797 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.402 -13.850 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.159 -15.220 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.216 -17.082 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.678 -17.596 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.603 -17.803 1.776 1.00 0.00 H new ATOM 1516 N VAL A 99 -1.443 -15.410 0.080 1.00 0.00 N ATOM 1517 CA VAL A 99 -0.239 -15.055 -0.663 1.00 0.00 C ATOM 1518 C VAL A 99 0.857 -16.097 -0.465 1.00 0.00 C ATOM 1519 O VAL A 99 1.694 -16.305 -1.343 1.00 0.00 O ATOM 1520 CB VAL A 99 0.296 -13.675 -0.237 1.00 0.00 C ATOM 1521 CG1 VAL A 99 1.528 -13.306 -1.050 1.00 0.00 C ATOM 1522 CG2 VAL A 99 -0.786 -12.616 -0.382 1.00 0.00 C ATOM 0 H VAL A 99 -1.666 -14.778 0.849 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.516 -15.020 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 99 0.585 -13.725 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.892 -12.328 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.307 -14.052 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.269 -13.273 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.390 -11.647 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.108 -12.565 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.636 -12.876 0.249 1.00 0.00 H new ATOM 1532 N ARG A 100 0.844 -16.749 0.693 1.00 0.00 N ATOM 1533 CA ARG A 100 1.837 -17.769 1.007 1.00 0.00 C ATOM 1534 C ARG A 100 1.398 -19.134 0.484 1.00 0.00 C ATOM 1535 O ARG A 100 2.230 -19.979 0.156 1.00 0.00 O ATOM 1536 CB ARG A 100 2.066 -17.839 2.517 1.00 0.00 C ATOM 1537 CG ARG A 100 1.097 -18.762 3.238 1.00 0.00 C ATOM 1538 CD ARG A 100 1.488 -18.952 4.696 1.00 0.00 C ATOM 1539 NE ARG A 100 1.039 -17.843 5.532 1.00 0.00 N ATOM 1540 CZ ARG A 100 1.198 -17.804 6.850 1.00 0.00 C ATOM 1541 NH1 ARG A 100 1.793 -18.808 7.478 1.00 0.00 N ATOM 1542 NH2 ARG A 100 0.761 -16.759 7.542 1.00 0.00 N ATOM 0 H ARG A 100 0.157 -16.589 1.429 1.00 0.00 H new ATOM 0 HA ARG A 100 2.771 -17.495 0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.085 -18.177 2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.979 -16.836 2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.090 -18.350 3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.074 -19.730 2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.060 -19.883 5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.571 -19.047 4.771 1.00 0.00 H new ATOM 0 HE ARG A 100 0.578 -17.054 5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.130 -19.612 6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.914 -18.776 8.490 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.302 -15.985 7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.884 -16.730 8.554 1.00 0.00 H new ATOM 1556 N GLU A 101 0.087 -19.340 0.409 1.00 0.00 N ATOM 1557 CA GLU A 101 -0.461 -20.602 -0.073 1.00 0.00 C ATOM 1558 C GLU A 101 -0.311 -20.717 -1.587 1.00 0.00 C ATOM 1559 O GLU A 101 -0.039 -21.795 -2.116 1.00 0.00 O ATOM 1560 CB GLU A 101 -1.935 -20.725 0.316 1.00 0.00 C ATOM 1561 CG GLU A 101 -2.152 -21.283 1.712 1.00 0.00 C ATOM 1562 CD GLU A 101 -2.015 -22.793 1.765 1.00 0.00 C ATOM 1563 OE1 GLU A 101 -0.912 -23.300 1.472 1.00 0.00 O ATOM 1564 OE2 GLU A 101 -3.013 -23.467 2.100 1.00 0.00 O ATOM 0 H GLU A 101 -0.615 -18.650 0.676 1.00 0.00 H new ATOM 0 HA GLU A 101 0.099 -21.413 0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.403 -19.743 0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.440 -21.367 -0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.432 -20.832 2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.144 -20.999 2.062 1.00 0.00 H new ATOM 1571 N VAL A 102 -0.492 -19.597 -2.280 1.00 0.00 N ATOM 1572 CA VAL A 102 -0.377 -19.571 -3.734 1.00 0.00 C ATOM 1573 C VAL A 102 1.077 -19.704 -4.173 1.00 0.00 C ATOM 1574 O VAL A 102 1.375 -20.344 -5.180 1.00 0.00 O ATOM 1575 CB VAL A 102 -0.961 -18.272 -4.320 1.00 0.00 C ATOM 1576 CG1 VAL A 102 -0.184 -17.063 -3.820 1.00 0.00 C ATOM 1577 CG2 VAL A 102 -0.960 -18.325 -5.840 1.00 0.00 C ATOM 0 H VAL A 102 -0.719 -18.696 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 102 -0.947 -20.420 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.993 -18.175 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.611 -16.155 -4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.242 -17.017 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.859 -17.150 -4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.376 -17.399 -6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.062 -18.447 -6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.565 -19.167 -6.175 1.00 0.00 H new ATOM 1587 N ALA A 103 1.977 -19.096 -3.408 1.00 0.00 N ATOM 1588 CA ALA A 103 3.402 -19.149 -3.717 1.00 0.00 C ATOM 1589 C ALA A 103 4.030 -20.434 -3.188 1.00 0.00 C ATOM 1590 O ALA A 103 4.894 -21.025 -3.835 1.00 0.00 O ATOM 1591 CB ALA A 103 4.113 -17.935 -3.138 1.00 0.00 C ATOM 0 H ALA A 103 1.746 -18.561 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 103 3.515 -19.139 -4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.175 -17.988 -3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.690 -17.027 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.984 -17.920 -2.056 1.00 0.00 H new ATOM 1597 N ALA A 104 3.591 -20.860 -2.008 1.00 0.00 N ATOM 1598 CA ALA A 104 4.111 -22.075 -1.394 1.00 0.00 C ATOM 1599 C ALA A 104 4.473 -23.114 -2.451 1.00 0.00 C ATOM 1600 O ALA A 104 5.612 -23.572 -2.541 1.00 0.00 O ATOM 1601 CB ALA A 104 3.096 -22.648 -0.416 1.00 0.00 C ATOM 0 H ALA A 104 2.877 -20.382 -1.459 1.00 0.00 H new ATOM 0 HA ALA A 104 5.019 -21.817 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.498 -23.555 0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.889 -21.916 0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.173 -22.884 -0.946 1.00 0.00 H new ATOM 1607 N PRO A 105 3.481 -23.496 -3.270 1.00 0.00 N ATOM 1608 CA PRO A 105 3.672 -24.484 -4.336 1.00 0.00 C ATOM 1609 C PRO A 105 4.538 -23.952 -5.472 1.00 0.00 C ATOM 1610 O PRO A 105 5.196 -24.720 -6.176 1.00 0.00 O ATOM 1611 CB PRO A 105 2.247 -24.752 -4.829 1.00 0.00 C ATOM 1612 CG PRO A 105 1.491 -23.513 -4.492 1.00 0.00 C ATOM 1613 CD PRO A 105 2.099 -22.991 -3.220 1.00 0.00 C ATOM 0 HA PRO A 105 4.189 -25.375 -3.979 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.229 -24.948 -5.901 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.816 -25.625 -4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.570 -22.778 -5.293 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.431 -23.727 -4.359 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.070 -21.902 -3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.569 -23.358 -2.341 1.00 0.00 H new ATOM 1621 N ASP A 106 4.535 -22.635 -5.646 1.00 0.00 N ATOM 1622 CA ASP A 106 5.323 -22.001 -6.697 1.00 0.00 C ATOM 1623 C ASP A 106 6.813 -22.076 -6.380 1.00 0.00 C ATOM 1624 O ASP A 106 7.603 -22.581 -7.178 1.00 0.00 O ATOM 1625 CB ASP A 106 4.898 -20.541 -6.870 1.00 0.00 C ATOM 1626 CG ASP A 106 3.542 -20.408 -7.533 1.00 0.00 C ATOM 1627 OD1 ASP A 106 2.598 -21.099 -7.098 1.00 0.00 O ATOM 1628 OD2 ASP A 106 3.424 -19.611 -8.489 1.00 0.00 O ATOM 0 H ASP A 106 3.996 -21.986 -5.073 1.00 0.00 H new ATOM 0 HA ASP A 106 5.141 -22.538 -7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 106 4.872 -20.055 -5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 106 5.644 -20.017 -7.467 1.00 0.00 H new ATOM 1633 N VAL A 107 7.190 -21.570 -5.210 1.00 0.00 N ATOM 1634 CA VAL A 107 8.585 -21.580 -4.786 1.00 0.00 C ATOM 1635 C VAL A 107 9.210 -22.958 -4.983 1.00 0.00 C ATOM 1636 O VAL A 107 10.399 -23.077 -5.272 1.00 0.00 O ATOM 1637 CB VAL A 107 8.727 -21.171 -3.309 1.00 0.00 C ATOM 1638 CG1 VAL A 107 8.517 -19.674 -3.147 1.00 0.00 C ATOM 1639 CG2 VAL A 107 7.748 -21.952 -2.444 1.00 0.00 C ATOM 0 H VAL A 107 6.548 -21.148 -4.539 1.00 0.00 H new ATOM 0 HA VAL A 107 9.109 -20.854 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 107 9.738 -21.409 -2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.621 -19.404 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.261 -19.136 -3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.518 -19.407 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.862 -21.651 -1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.729 -21.747 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.951 -23.019 -2.537 1.00 0.00 H new ATOM 1649 N GLY A 108 8.396 -23.999 -4.826 1.00 0.00 N ATOM 1650 CA GLY A 108 8.886 -25.354 -4.990 1.00 0.00 C ATOM 1651 C GLY A 108 9.443 -25.606 -6.377 1.00 0.00 C ATOM 1652 O GLY A 108 10.359 -26.410 -6.549 1.00 0.00 O ATOM 0 H GLY A 108 7.407 -23.927 -4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.662 -25.548 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 108 8.076 -26.056 -4.794 1.00 0.00 H new ATOM 1656 N ARG A 109 8.890 -24.916 -7.369 1.00 0.00 N ATOM 1657 CA ARG A 109 9.335 -25.071 -8.748 1.00 0.00 C ATOM 1658 C ARG A 109 10.816 -24.733 -8.882 1.00 0.00 C ATOM 1659 O ARG A 109 11.581 -25.482 -9.489 1.00 0.00 O ATOM 1660 CB ARG A 109 8.511 -24.176 -9.677 1.00 0.00 C ATOM 1661 CG ARG A 109 7.010 -24.352 -9.517 1.00 0.00 C ATOM 1662 CD ARG A 109 6.475 -25.434 -10.441 1.00 0.00 C ATOM 1663 NE ARG A 109 7.039 -26.745 -10.133 1.00 0.00 N ATOM 1664 CZ ARG A 109 7.031 -27.767 -10.983 1.00 0.00 C ATOM 1665 NH1 ARG A 109 6.494 -27.627 -12.187 1.00 0.00 N ATOM 1666 NH2 ARG A 109 7.564 -28.929 -10.629 1.00 0.00 N ATOM 0 H ARG A 109 8.133 -24.244 -7.243 1.00 0.00 H new ATOM 0 HA ARG A 109 9.190 -26.112 -9.035 1.00 0.00 H new ATOM 0 HB2 ARG A 109 8.769 -23.134 -9.487 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.785 -24.389 -10.710 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.781 -24.609 -8.483 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.507 -23.409 -9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.389 -25.478 -10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.705 -25.174 -11.474 1.00 0.00 H new ATOM 0 HE ARG A 109 7.462 -26.884 -9.215 1.00 0.00 H new ATOM 0 HH11 ARG A 109 6.086 -26.734 -12.463 1.00 0.00 H new ATOM 0 HH12 ARG A 109 6.489 -28.413 -12.838 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.980 -29.039 -9.704 1.00 0.00 H new ATOM 0 HH22 ARG A 109 7.558 -29.713 -11.282 1.00 0.00 H new ATOM 1680 N MET A 110 11.214 -23.599 -8.312 1.00 0.00 N ATOM 1681 CA MET A 110 12.604 -23.163 -8.368 1.00 0.00 C ATOM 1682 C MET A 110 13.462 -23.955 -7.385 1.00 0.00 C ATOM 1683 O MET A 110 14.649 -24.178 -7.622 1.00 0.00 O ATOM 1684 CB MET A 110 12.704 -21.668 -8.060 1.00 0.00 C ATOM 1685 CG MET A 110 12.087 -21.279 -6.726 1.00 0.00 C ATOM 1686 SD MET A 110 12.630 -19.657 -6.156 1.00 0.00 S ATOM 1687 CE MET A 110 11.173 -19.105 -5.271 1.00 0.00 C ATOM 0 H MET A 110 10.593 -22.967 -7.807 1.00 0.00 H new ATOM 0 HA MET A 110 12.976 -23.345 -9.376 1.00 0.00 H new ATOM 0 HB2 MET A 110 13.754 -21.374 -8.065 1.00 0.00 H new ATOM 0 HB3 MET A 110 12.212 -21.108 -8.855 1.00 0.00 H new ATOM 0 HG2 MET A 110 11.001 -21.283 -6.818 1.00 0.00 H new ATOM 0 HG3 MET A 110 12.346 -22.028 -5.978 1.00 0.00 H new ATOM 0 HE1 MET A 110 11.418 -18.220 -4.684 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.385 -18.861 -5.984 1.00 0.00 H new ATOM 0 HE3 MET A 110 10.829 -19.898 -4.607 1.00 0.00 H new ATOM 1697 N GLY A 111 12.853 -24.377 -6.281 1.00 0.00 N ATOM 1698 CA GLY A 111 13.577 -25.139 -5.281 1.00 0.00 C ATOM 1699 C GLY A 111 13.668 -24.412 -3.953 1.00 0.00 C ATOM 1700 O GLY A 111 14.602 -24.631 -3.182 1.00 0.00 O ATOM 0 H GLY A 111 11.872 -24.205 -6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 111 13.084 -26.100 -5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.582 -25.350 -5.646 1.00 0.00 H new ATOM 1704 N ILE A 112 12.697 -23.545 -3.688 1.00 0.00 N ATOM 1705 CA ILE A 112 12.673 -22.785 -2.445 1.00 0.00 C ATOM 1706 C ILE A 112 11.434 -23.118 -1.620 1.00 0.00 C ATOM 1707 O ILE A 112 10.364 -23.379 -2.168 1.00 0.00 O ATOM 1708 CB ILE A 112 12.703 -21.267 -2.712 1.00 0.00 C ATOM 1709 CG1 ILE A 112 14.000 -20.880 -3.425 1.00 0.00 C ATOM 1710 CG2 ILE A 112 12.558 -20.497 -1.409 1.00 0.00 C ATOM 1711 CD1 ILE A 112 15.229 -20.995 -2.550 1.00 0.00 C ATOM 0 H ILE A 112 11.917 -23.352 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 112 13.566 -23.067 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 112 11.864 -21.009 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 112 14.127 -21.516 -4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 112 13.915 -19.855 -3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.581 -19.427 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.610 -20.756 -0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.379 -20.756 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 112 16.111 -20.705 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 112 15.124 -20.338 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.339 -22.025 -2.211 1.00 0.00 H new ATOM 1723 N GLU A 113 11.589 -23.107 -0.299 1.00 0.00 N ATOM 1724 CA GLU A 113 10.481 -23.408 0.601 1.00 0.00 C ATOM 1725 C GLU A 113 10.163 -22.210 1.491 1.00 0.00 C ATOM 1726 O GLU A 113 11.064 -21.513 1.957 1.00 0.00 O ATOM 1727 CB GLU A 113 10.815 -24.626 1.466 1.00 0.00 C ATOM 1728 CG GLU A 113 9.806 -24.881 2.573 1.00 0.00 C ATOM 1729 CD GLU A 113 8.667 -25.778 2.130 1.00 0.00 C ATOM 1730 OE1 GLU A 113 8.915 -26.690 1.313 1.00 0.00 O ATOM 1731 OE2 GLU A 113 7.529 -25.569 2.599 1.00 0.00 O ATOM 0 H GLU A 113 12.469 -22.893 0.171 1.00 0.00 H new ATOM 0 HA GLU A 113 9.603 -23.631 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.874 -25.509 0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.801 -24.487 1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.313 -25.337 3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.401 -23.929 2.917 1.00 0.00 H new ATOM 1738 N ILE A 114 8.875 -21.978 1.721 1.00 0.00 N ATOM 1739 CA ILE A 114 8.437 -20.866 2.556 1.00 0.00 C ATOM 1740 C ILE A 114 8.177 -21.321 3.988 1.00 0.00 C ATOM 1741 O ILE A 114 7.572 -22.368 4.217 1.00 0.00 O ATOM 1742 CB ILE A 114 7.158 -20.213 1.996 1.00 0.00 C ATOM 1743 CG1 ILE A 114 5.949 -21.117 2.241 1.00 0.00 C ATOM 1744 CG2 ILE A 114 7.318 -19.920 0.512 1.00 0.00 C ATOM 1745 CD1 ILE A 114 5.223 -20.820 3.534 1.00 0.00 C ATOM 0 H ILE A 114 8.117 -22.545 1.341 1.00 0.00 H new ATOM 0 HA ILE A 114 9.243 -20.132 2.552 1.00 0.00 H new ATOM 0 HB ILE A 114 6.992 -19.269 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.252 -21.010 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.279 -22.156 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.406 -19.459 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.157 -19.240 0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.505 -20.850 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.377 -21.499 3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.905 -20.955 4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.862 -19.791 3.521 1.00 0.00 H new ATOM 1757 N LEU A 115 8.639 -20.527 4.947 1.00 0.00 N ATOM 1758 CA LEU A 115 8.455 -20.846 6.359 1.00 0.00 C ATOM 1759 C LEU A 115 7.146 -20.266 6.883 1.00 0.00 C ATOM 1760 O LEU A 115 6.361 -20.961 7.529 1.00 0.00 O ATOM 1761 CB LEU A 115 9.629 -20.310 7.180 1.00 0.00 C ATOM 1762 CG LEU A 115 11.013 -20.831 6.792 1.00 0.00 C ATOM 1763 CD1 LEU A 115 11.075 -22.344 6.939 1.00 0.00 C ATOM 1764 CD2 LEU A 115 11.360 -20.417 5.370 1.00 0.00 C ATOM 0 H LEU A 115 9.144 -19.658 4.773 1.00 0.00 H new ATOM 0 HA LEU A 115 8.415 -21.931 6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.636 -19.223 7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.453 -20.551 8.228 1.00 0.00 H new ATOM 0 HG LEU A 115 11.747 -20.391 7.466 1.00 0.00 H new ATOM 0 HD11 LEU A 115 12.068 -22.696 6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.872 -22.618 7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.330 -22.803 6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.348 -20.797 5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.622 -20.828 4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 115 11.359 -19.329 5.297 1.00 0.00 H new ATOM 1776 N SER A 116 6.915 -18.988 6.600 1.00 0.00 N ATOM 1777 CA SER A 116 5.701 -18.313 7.044 1.00 0.00 C ATOM 1778 C SER A 116 5.544 -16.964 6.349 1.00 0.00 C ATOM 1779 O SER A 116 6.519 -16.380 5.874 1.00 0.00 O ATOM 1780 CB SER A 116 5.727 -18.119 8.561 1.00 0.00 C ATOM 1781 OG SER A 116 4.416 -18.140 9.099 1.00 0.00 O ATOM 0 H SER A 116 7.553 -18.399 6.065 1.00 0.00 H new ATOM 0 HA SER A 116 4.849 -18.939 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.325 -18.905 9.021 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.207 -17.171 8.802 1.00 0.00 H new ATOM 0 HG SER A 116 4.459 -18.016 10.070 1.00 0.00 H new ATOM 1787 N PHE A 117 4.311 -16.473 6.295 1.00 0.00 N ATOM 1788 CA PHE A 117 4.024 -15.193 5.658 1.00 0.00 C ATOM 1789 C PHE A 117 3.176 -14.310 6.570 1.00 0.00 C ATOM 1790 O PHE A 117 2.091 -14.701 6.999 1.00 0.00 O ATOM 1791 CB PHE A 117 3.303 -15.411 4.326 1.00 0.00 C ATOM 1792 CG PHE A 117 3.467 -14.271 3.362 1.00 0.00 C ATOM 1793 CD1 PHE A 117 3.050 -12.994 3.703 1.00 0.00 C ATOM 1794 CD2 PHE A 117 4.037 -14.476 2.116 1.00 0.00 C ATOM 1795 CE1 PHE A 117 3.198 -11.943 2.816 1.00 0.00 C ATOM 1796 CE2 PHE A 117 4.188 -13.429 1.226 1.00 0.00 C ATOM 1797 CZ PHE A 117 3.768 -12.161 1.578 1.00 0.00 C ATOM 0 H PHE A 117 3.494 -16.942 6.685 1.00 0.00 H new ATOM 0 HA PHE A 117 4.972 -14.688 5.471 1.00 0.00 H new ATOM 0 HB2 PHE A 117 3.679 -16.324 3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 117 2.241 -15.564 4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.605 -12.818 4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.367 -15.466 1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.868 -10.952 3.092 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.633 -13.602 0.257 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.886 -11.341 0.885 1.00 0.00 H new ATOM 1807 N THR A 118 3.680 -13.115 6.861 1.00 0.00 N ATOM 1808 CA THR A 118 2.971 -12.176 7.721 1.00 0.00 C ATOM 1809 C THR A 118 2.825 -10.816 7.048 1.00 0.00 C ATOM 1810 O THR A 118 3.448 -10.552 6.020 1.00 0.00 O ATOM 1811 CB THR A 118 3.695 -11.994 9.069 1.00 0.00 C ATOM 1812 OG1 THR A 118 4.400 -13.191 9.413 1.00 0.00 O ATOM 1813 CG2 THR A 118 2.705 -11.648 10.172 1.00 0.00 C ATOM 0 H THR A 118 4.577 -12.775 6.514 1.00 0.00 H new ATOM 0 HA THR A 118 1.982 -12.597 7.901 1.00 0.00 H new ATOM 0 HB THR A 118 4.404 -11.173 8.967 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.858 -13.066 10.270 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.239 -11.524 11.114 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.191 -10.720 9.922 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.975 -12.452 10.271 1.00 0.00 H new ATOM 1821 N ILE A 119 1.998 -9.957 7.635 1.00 0.00 N ATOM 1822 CA ILE A 119 1.772 -8.624 7.092 1.00 0.00 C ATOM 1823 C ILE A 119 2.321 -7.550 8.025 1.00 0.00 C ATOM 1824 O ILE A 119 1.726 -7.245 9.058 1.00 0.00 O ATOM 1825 CB ILE A 119 0.273 -8.361 6.852 1.00 0.00 C ATOM 1826 CG1 ILE A 119 -0.283 -9.351 5.826 1.00 0.00 C ATOM 1827 CG2 ILE A 119 0.054 -6.928 6.386 1.00 0.00 C ATOM 1828 CD1 ILE A 119 0.322 -9.197 4.448 1.00 0.00 C ATOM 0 H ILE A 119 1.474 -10.161 8.486 1.00 0.00 H new ATOM 0 HA ILE A 119 2.299 -8.578 6.139 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.260 -8.502 7.792 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.106 -10.367 6.180 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -1.363 -9.221 5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.010 -6.758 6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.418 -6.238 7.147 1.00 0.00 H new ATOM 0 HG23 ILE A 119 0.597 -6.761 5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -0.119 -9.931 3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 119 0.122 -8.193 4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 119 1.399 -9.356 4.504 1.00 0.00 H new ATOM 1840 N LYS A 120 3.461 -6.977 7.653 1.00 0.00 N ATOM 1841 CA LYS A 120 4.092 -5.935 8.453 1.00 0.00 C ATOM 1842 C LYS A 120 3.131 -4.773 8.688 1.00 0.00 C ATOM 1843 O LYS A 120 2.600 -4.607 9.786 1.00 0.00 O ATOM 1844 CB LYS A 120 5.360 -5.429 7.762 1.00 0.00 C ATOM 1845 CG LYS A 120 5.963 -4.201 8.421 1.00 0.00 C ATOM 1846 CD LYS A 120 6.967 -4.582 9.497 1.00 0.00 C ATOM 1847 CE LYS A 120 6.292 -4.762 10.849 1.00 0.00 C ATOM 1848 NZ LYS A 120 7.013 -5.748 11.701 1.00 0.00 N ATOM 0 H LYS A 120 3.967 -7.218 6.801 1.00 0.00 H new ATOM 0 HA LYS A 120 4.359 -6.365 9.418 1.00 0.00 H new ATOM 0 HB2 LYS A 120 6.102 -6.227 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 120 5.129 -5.197 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 120 6.453 -3.586 7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 120 5.170 -3.596 8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 120 7.472 -5.506 9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 120 7.733 -3.810 9.571 1.00 0.00 H new ATOM 0 HE2 LYS A 120 6.247 -3.802 11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.264 -5.093 10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 6.523 -5.843 12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 7.034 -6.671 11.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 7.986 -5.420 11.864 1.00 0.00 H new ATOM 1862 N ASP A 121 2.910 -3.974 7.650 1.00 0.00 N ATOM 1863 CA ASP A 121 2.011 -2.830 7.743 1.00 0.00 C ATOM 1864 C ASP A 121 1.520 -2.411 6.361 1.00 0.00 C ATOM 1865 O ASP A 121 2.268 -2.461 5.383 1.00 0.00 O ATOM 1866 CB ASP A 121 2.714 -1.656 8.427 1.00 0.00 C ATOM 1867 CG ASP A 121 1.739 -0.707 9.095 1.00 0.00 C ATOM 1868 OD1 ASP A 121 0.725 -1.188 9.644 1.00 0.00 O ATOM 1869 OD2 ASP A 121 1.989 0.516 9.070 1.00 0.00 O ATOM 0 H ASP A 121 3.341 -4.098 6.734 1.00 0.00 H new ATOM 0 HA ASP A 121 1.148 -3.124 8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 121 3.412 -2.038 9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 121 3.302 -1.109 7.690 1.00 0.00 H new ATOM 1874 N VAL A 122 0.259 -1.997 6.286 1.00 0.00 N ATOM 1875 CA VAL A 122 -0.332 -1.569 5.023 1.00 0.00 C ATOM 1876 C VAL A 122 -0.823 -0.129 5.108 1.00 0.00 C ATOM 1877 O VAL A 122 -1.622 0.215 5.980 1.00 0.00 O ATOM 1878 CB VAL A 122 -1.506 -2.479 4.616 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -1.025 -3.905 4.396 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -2.604 -2.433 5.669 1.00 0.00 C ATOM 0 H VAL A 122 -0.373 -1.949 7.085 1.00 0.00 H new ATOM 0 HA VAL A 122 0.450 -1.639 4.267 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.919 -2.113 3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.868 -4.533 4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.276 -3.918 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.585 -4.287 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.426 -3.081 5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.206 -2.774 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.967 -1.410 5.771 1.00 0.00 H new ATOM 1890 N TYR A 123 -0.343 0.710 4.196 1.00 0.00 N ATOM 1891 CA TYR A 123 -0.733 2.114 4.169 1.00 0.00 C ATOM 1892 C TYR A 123 -1.003 2.576 2.740 1.00 0.00 C ATOM 1893 O TYR A 123 -0.627 1.906 1.777 1.00 0.00 O ATOM 1894 CB TYR A 123 0.359 2.981 4.799 1.00 0.00 C ATOM 1895 CG TYR A 123 1.761 2.531 4.456 1.00 0.00 C ATOM 1896 CD1 TYR A 123 2.364 1.486 5.145 1.00 0.00 C ATOM 1897 CD2 TYR A 123 2.483 3.153 3.445 1.00 0.00 C ATOM 1898 CE1 TYR A 123 3.647 1.073 4.836 1.00 0.00 C ATOM 1899 CE2 TYR A 123 3.765 2.745 3.128 1.00 0.00 C ATOM 1900 CZ TYR A 123 4.342 1.705 3.826 1.00 0.00 C ATOM 1901 OH TYR A 123 5.619 1.297 3.515 1.00 0.00 O ATOM 0 H TYR A 123 0.317 0.441 3.466 1.00 0.00 H new ATOM 0 HA TYR A 123 -1.651 2.221 4.747 1.00 0.00 H new ATOM 0 HB2 TYR A 123 0.227 4.012 4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 123 0.238 2.973 5.882 1.00 0.00 H new ATOM 0 HD1 TYR A 123 1.822 0.988 5.935 1.00 0.00 H new ATOM 0 HD2 TYR A 123 2.035 3.969 2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.102 0.260 5.382 1.00 0.00 H new ATOM 0 HE2 TYR A 123 4.312 3.238 2.338 1.00 0.00 H new ATOM 0 HH TYR A 123 5.967 1.844 2.780 1.00 0.00 H new ATOM 1911 N ASP A 124 -1.657 3.725 2.611 1.00 0.00 N ATOM 1912 CA ASP A 124 -1.977 4.279 1.300 1.00 0.00 C ATOM 1913 C ASP A 124 -0.950 5.329 0.889 1.00 0.00 C ATOM 1914 O ASP A 124 -0.873 6.405 1.483 1.00 0.00 O ATOM 1915 CB ASP A 124 -3.377 4.895 1.311 1.00 0.00 C ATOM 1916 CG ASP A 124 -3.548 5.924 2.411 1.00 0.00 C ATOM 1917 OD1 ASP A 124 -2.778 5.879 3.393 1.00 0.00 O ATOM 1918 OD2 ASP A 124 -4.452 6.777 2.289 1.00 0.00 O ATOM 0 H ASP A 124 -1.976 4.291 3.397 1.00 0.00 H new ATOM 0 HA ASP A 124 -1.951 3.467 0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.572 5.363 0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.117 4.105 1.438 1.00 0.00 H new