USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 559 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 Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.32) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.717 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.96) USER MOD Single : A 35 CYS SG : rot -12:sc= 0.432 USER MOD Single : A 36 LYS NZ :NH3+ -124:sc= 0.167 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 40:sc= 0.0146 USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.328) USER MOD Single : A 40 MET CE :methyl -132:sc= -2.31 (180deg=-3.46!) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.053 USER MOD Single : A 51 CYS SG : rot 80:sc= -2.2 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 0.673 K(o=0.67,f=-2.1!) USER MOD Single : A 68 MET CE :methyl -128:sc= -6.94! (180deg=-7.07!) USER MOD Single : A 69 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= -1.68! (180deg=-1.83!) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.142 (180deg=-0.698) USER MOD Single : A 79 LYS NZ :NH3+ -126:sc=-0.00522 (180deg=-1.24!) USER MOD Single : A 81 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.858 -0.356 -4.606 1.00 0.00 N ATOM 164 CA PRO A 8 -8.409 -0.136 -4.642 1.00 0.00 C ATOM 165 C PRO A 8 -7.622 -1.407 -4.339 1.00 0.00 C ATOM 166 O PRO A 8 -7.934 -2.130 -3.393 1.00 0.00 O ATOM 167 CB PRO A 8 -8.182 0.908 -3.546 1.00 0.00 C ATOM 168 CG PRO A 8 -9.323 0.725 -2.606 1.00 0.00 C ATOM 169 CD PRO A 8 -10.493 0.303 -3.452 1.00 0.00 C ATOM 0 HA PRO A 8 -8.069 0.180 -5.628 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.227 0.754 -3.044 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.166 1.917 -3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.092 -0.030 -1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.541 1.650 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.154 -0.377 -2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.096 1.157 -3.759 1.00 0.00 H new ATOM 177 N ARG A 9 -6.602 -1.672 -5.148 1.00 0.00 N ATOM 178 CA ARG A 9 -5.771 -2.856 -4.967 1.00 0.00 C ATOM 179 C ARG A 9 -4.299 -2.474 -4.845 1.00 0.00 C ATOM 180 O ARG A 9 -3.415 -3.327 -4.930 1.00 0.00 O ATOM 181 CB ARG A 9 -5.963 -3.823 -6.136 1.00 0.00 C ATOM 182 CG ARG A 9 -7.270 -4.597 -6.079 1.00 0.00 C ATOM 183 CD ARG A 9 -7.464 -5.456 -7.320 1.00 0.00 C ATOM 184 NE ARG A 9 -8.875 -5.633 -7.647 1.00 0.00 N ATOM 185 CZ ARG A 9 -9.310 -6.019 -8.842 1.00 0.00 C ATOM 186 NH1 ARG A 9 -8.446 -6.267 -9.817 1.00 0.00 N ATOM 187 NH2 ARG A 9 -10.611 -6.158 -9.062 1.00 0.00 N ATOM 0 H ARG A 9 -6.331 -1.083 -5.935 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.078 -3.347 -4.044 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.923 -3.263 -7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.133 -4.529 -6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.281 -5.230 -5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.103 -3.900 -5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.951 -4.995 -8.164 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.003 -6.431 -7.162 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.565 -5.450 -6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.445 -6.162 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.782 -6.563 -10.733 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.278 -5.969 -8.314 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.944 -6.454 -9.979 1.00 0.00 H new ATOM 201 N THR A 10 -4.043 -1.184 -4.645 1.00 0.00 N ATOM 202 CA THR A 10 -2.678 -0.688 -4.512 1.00 0.00 C ATOM 203 C THR A 10 -2.466 -0.018 -3.159 1.00 0.00 C ATOM 204 O THR A 10 -3.316 0.739 -2.690 1.00 0.00 O ATOM 205 CB THR A 10 -2.334 0.315 -5.629 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.742 -0.207 -6.898 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.842 0.610 -5.651 1.00 0.00 C ATOM 0 H THR A 10 -4.762 -0.465 -4.572 1.00 0.00 H new ATOM 0 HA THR A 10 -2.018 -1.552 -4.594 1.00 0.00 H new ATOM 0 HB THR A 10 -2.868 1.244 -5.430 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.521 0.437 -7.603 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.623 1.321 -6.448 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.541 1.035 -4.693 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.291 -0.314 -5.827 1.00 0.00 H new ATOM 215 N LEU A 11 -1.326 -0.301 -2.538 1.00 0.00 N ATOM 216 CA LEU A 11 -1.002 0.276 -1.237 1.00 0.00 C ATOM 217 C LEU A 11 0.371 0.939 -1.264 1.00 0.00 C ATOM 218 O LEU A 11 1.308 0.427 -1.877 1.00 0.00 O ATOM 219 CB LEU A 11 -1.037 -0.804 -0.155 1.00 0.00 C ATOM 220 CG LEU A 11 -2.025 -1.950 -0.381 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.725 -3.108 0.557 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.456 -1.464 -0.192 1.00 0.00 C ATOM 0 H LEU A 11 -0.612 -0.925 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.749 1.036 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.037 -1.227 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.274 -0.329 0.797 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.914 -2.303 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.438 -3.913 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.714 -3.472 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.807 -2.770 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.146 -2.292 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.580 -1.084 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.667 -0.668 -0.906 1.00 0.00 H new ATOM 234 N TYR A 12 0.483 2.082 -0.594 1.00 0.00 N ATOM 235 CA TYR A 12 1.742 2.816 -0.541 1.00 0.00 C ATOM 236 C TYR A 12 2.501 2.505 0.746 1.00 0.00 C ATOM 237 O TYR A 12 1.971 2.661 1.846 1.00 0.00 O ATOM 238 CB TYR A 12 1.483 4.320 -0.643 1.00 0.00 C ATOM 239 CG TYR A 12 2.575 5.165 -0.026 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.617 5.388 1.344 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.564 5.740 -0.814 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.611 6.160 1.913 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.563 6.513 -0.254 1.00 0.00 C ATOM 244 CZ TYR A 12 4.583 6.720 1.109 1.00 0.00 C ATOM 245 OH TYR A 12 5.576 7.488 1.671 1.00 0.00 O ATOM 0 H TYR A 12 -0.282 2.519 -0.081 1.00 0.00 H new ATOM 0 HA TYR A 12 2.353 2.501 -1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.375 4.591 -1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.536 4.551 -0.155 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.859 4.950 1.976 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.552 5.580 -1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.628 6.324 2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.324 6.953 -0.881 1.00 0.00 H new ATOM 0 HH TYR A 12 6.181 7.806 0.968 1.00 0.00 H new ATOM 255 N VAL A 13 3.745 2.063 0.599 1.00 0.00 N ATOM 256 CA VAL A 13 4.579 1.732 1.748 1.00 0.00 C ATOM 257 C VAL A 13 5.662 2.784 1.964 1.00 0.00 C ATOM 258 O VAL A 13 6.424 3.102 1.051 1.00 0.00 O ATOM 259 CB VAL A 13 5.246 0.353 1.579 1.00 0.00 C ATOM 260 CG1 VAL A 13 5.926 -0.074 2.870 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.222 -0.682 1.138 1.00 0.00 C ATOM 0 H VAL A 13 4.198 1.926 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 13 3.922 1.707 2.618 1.00 0.00 H new ATOM 0 HB VAL A 13 6.009 0.430 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.391 -1.050 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.689 0.657 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.186 -0.135 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.709 -1.650 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.435 -0.758 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.786 -0.380 0.186 1.00 0.00 H new ATOM 271 N GLY A 14 5.725 3.320 3.178 1.00 0.00 N ATOM 272 CA GLY A 14 6.718 4.330 3.493 1.00 0.00 C ATOM 273 C GLY A 14 7.456 4.036 4.783 1.00 0.00 C ATOM 274 O GLY A 14 7.094 3.119 5.518 1.00 0.00 O ATOM 0 H GLY A 14 5.106 3.073 3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.435 4.397 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.231 5.302 3.570 1.00 0.00 H new ATOM 278 N ASN A 15 8.497 4.816 5.059 1.00 0.00 N ATOM 279 CA ASN A 15 9.289 4.633 6.269 1.00 0.00 C ATOM 280 C ASN A 15 10.027 3.298 6.239 1.00 0.00 C ATOM 281 O ASN A 15 10.025 2.552 7.219 1.00 0.00 O ATOM 282 CB ASN A 15 8.393 4.704 7.507 1.00 0.00 C ATOM 283 CG ASN A 15 9.133 5.213 8.729 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.067 6.395 9.061 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.846 4.317 9.403 1.00 0.00 N ATOM 0 H ASN A 15 8.811 5.580 4.461 1.00 0.00 H new ATOM 0 HA ASN A 15 10.025 5.435 6.315 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.545 5.357 7.301 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.989 3.714 7.717 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.368 4.600 10.233 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.872 3.346 9.091 1.00 0.00 H new ATOM 292 N LEU A 16 10.660 3.004 5.108 1.00 0.00 N ATOM 293 CA LEU A 16 11.404 1.760 4.949 1.00 0.00 C ATOM 294 C LEU A 16 12.894 1.982 5.189 1.00 0.00 C ATOM 295 O LEU A 16 13.445 3.020 4.822 1.00 0.00 O ATOM 296 CB LEU A 16 11.182 1.186 3.549 1.00 0.00 C ATOM 297 CG LEU A 16 9.742 0.808 3.199 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.611 0.526 1.710 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.294 -0.397 4.013 1.00 0.00 C ATOM 0 H LEU A 16 10.673 3.610 4.288 1.00 0.00 H new ATOM 0 HA LEU A 16 11.037 1.049 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.533 1.916 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.806 0.299 3.438 1.00 0.00 H new ATOM 0 HG LEU A 16 9.095 1.650 3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.580 0.259 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.890 1.416 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.269 -0.299 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.267 -0.652 3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.945 -1.244 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.349 -0.159 5.075 1.00 0.00 H new ATOM 311 N SER A 17 13.543 0.998 5.806 1.00 0.00 N ATOM 312 CA SER A 17 14.969 1.087 6.096 1.00 0.00 C ATOM 313 C SER A 17 15.794 0.921 4.823 1.00 0.00 C ATOM 314 O SER A 17 15.415 0.178 3.918 1.00 0.00 O ATOM 315 CB SER A 17 15.369 0.023 7.120 1.00 0.00 C ATOM 316 OG SER A 17 16.618 0.331 7.714 1.00 0.00 O ATOM 0 H SER A 17 13.103 0.131 6.114 1.00 0.00 H new ATOM 0 HA SER A 17 15.170 2.075 6.511 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.603 -0.049 7.892 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.424 -0.951 6.634 1.00 0.00 H new ATOM 0 HG SER A 17 16.850 -0.363 8.366 1.00 0.00 H new ATOM 322 N ARG A 18 16.924 1.619 4.763 1.00 0.00 N ATOM 323 CA ARG A 18 17.802 1.550 3.602 1.00 0.00 C ATOM 324 C ARG A 18 18.102 0.101 3.232 1.00 0.00 C ATOM 325 O ARG A 18 18.488 -0.195 2.101 1.00 0.00 O ATOM 326 CB ARG A 18 19.107 2.298 3.879 1.00 0.00 C ATOM 327 CG ARG A 18 19.752 2.880 2.632 1.00 0.00 C ATOM 328 CD ARG A 18 20.601 4.099 2.961 1.00 0.00 C ATOM 329 NE ARG A 18 19.812 5.328 2.973 1.00 0.00 N ATOM 330 CZ ARG A 18 19.345 5.911 1.874 1.00 0.00 C ATOM 331 NH1 ARG A 18 19.584 5.380 0.684 1.00 0.00 N ATOM 332 NH2 ARG A 18 18.634 7.028 1.967 1.00 0.00 N ATOM 0 H ARG A 18 17.252 2.238 5.504 1.00 0.00 H new ATOM 0 HA ARG A 18 17.291 2.022 2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.911 3.104 4.586 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.811 1.618 4.358 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.372 2.122 2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.978 3.157 1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.072 3.961 3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 18 21.403 4.190 2.229 1.00 0.00 H new ATOM 0 HE ARG A 18 19.609 5.762 3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.128 4.521 0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.224 5.831 -0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.446 7.438 2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.275 7.476 1.124 1.00 0.00 H new ATOM 346 N ASP A 19 17.923 -0.798 4.193 1.00 0.00 N ATOM 347 CA ASP A 19 18.175 -2.218 3.968 1.00 0.00 C ATOM 348 C ASP A 19 17.009 -2.866 3.229 1.00 0.00 C ATOM 349 O ASP A 19 17.203 -3.750 2.396 1.00 0.00 O ATOM 350 CB ASP A 19 18.411 -2.932 5.300 1.00 0.00 C ATOM 351 CG ASP A 19 19.708 -2.512 5.962 1.00 0.00 C ATOM 352 OD1 ASP A 19 20.658 -2.158 5.232 1.00 0.00 O ATOM 353 OD2 ASP A 19 19.775 -2.536 7.209 1.00 0.00 O ATOM 0 H ASP A 19 17.605 -0.570 5.135 1.00 0.00 H new ATOM 0 HA ASP A 19 19.069 -2.311 3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.579 -2.723 5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.424 -4.009 5.134 1.00 0.00 H new ATOM 358 N VAL A 20 15.795 -2.420 3.542 1.00 0.00 N ATOM 359 CA VAL A 20 14.597 -2.956 2.907 1.00 0.00 C ATOM 360 C VAL A 20 14.792 -3.103 1.402 1.00 0.00 C ATOM 361 O VAL A 20 15.316 -2.205 0.741 1.00 0.00 O ATOM 362 CB VAL A 20 13.373 -2.059 3.170 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.140 -2.623 2.482 1.00 0.00 C ATOM 364 CG2 VAL A 20 13.137 -1.907 4.665 1.00 0.00 C ATOM 0 H VAL A 20 15.616 -1.689 4.231 1.00 0.00 H new ATOM 0 HA VAL A 20 14.419 -3.938 3.345 1.00 0.00 H new ATOM 0 HB VAL A 20 13.571 -1.071 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.285 -1.976 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.315 -2.676 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.934 -3.622 2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.269 -1.270 4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.959 -2.887 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.014 -1.454 5.128 1.00 0.00 H new ATOM 374 N THR A 21 14.365 -4.242 0.863 1.00 0.00 N ATOM 375 CA THR A 21 14.493 -4.507 -0.564 1.00 0.00 C ATOM 376 C THR A 21 13.144 -4.865 -1.179 1.00 0.00 C ATOM 377 O THR A 21 12.223 -5.280 -0.477 1.00 0.00 O ATOM 378 CB THR A 21 15.489 -5.649 -0.836 1.00 0.00 C ATOM 379 OG1 THR A 21 15.301 -6.700 0.118 1.00 0.00 O ATOM 380 CG2 THR A 21 16.922 -5.145 -0.769 1.00 0.00 C ATOM 0 H THR A 21 13.928 -4.995 1.394 1.00 0.00 H new ATOM 0 HA THR A 21 14.867 -3.592 -1.024 1.00 0.00 H new ATOM 0 HB THR A 21 15.303 -6.033 -1.839 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.937 -7.423 -0.063 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.607 -5.970 -0.964 1.00 0.00 H new ATOM 0 HG22 THR A 21 17.069 -4.366 -1.517 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.118 -4.737 0.223 1.00 0.00 H new ATOM 388 N GLU A 22 13.037 -4.704 -2.494 1.00 0.00 N ATOM 389 CA GLU A 22 11.800 -5.011 -3.202 1.00 0.00 C ATOM 390 C GLU A 22 11.350 -6.441 -2.915 1.00 0.00 C ATOM 391 O GLU A 22 10.171 -6.693 -2.665 1.00 0.00 O ATOM 392 CB GLU A 22 11.987 -4.817 -4.709 1.00 0.00 C ATOM 393 CG GLU A 22 10.822 -5.329 -5.538 1.00 0.00 C ATOM 394 CD GLU A 22 10.972 -6.790 -5.916 1.00 0.00 C ATOM 395 OE1 GLU A 22 10.689 -7.656 -5.063 1.00 0.00 O ATOM 396 OE2 GLU A 22 11.375 -7.066 -7.066 1.00 0.00 O ATOM 0 H GLU A 22 13.791 -4.363 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 22 11.029 -4.327 -2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.130 -3.756 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.897 -5.328 -5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.896 -5.196 -4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.735 -4.730 -6.445 1.00 0.00 H new ATOM 403 N VAL A 23 12.297 -7.372 -2.955 1.00 0.00 N ATOM 404 CA VAL A 23 11.999 -8.777 -2.698 1.00 0.00 C ATOM 405 C VAL A 23 11.559 -8.990 -1.255 1.00 0.00 C ATOM 406 O VAL A 23 10.693 -9.820 -0.974 1.00 0.00 O ATOM 407 CB VAL A 23 13.218 -9.671 -2.990 1.00 0.00 C ATOM 408 CG1 VAL A 23 14.420 -9.219 -2.174 1.00 0.00 C ATOM 409 CG2 VAL A 23 12.889 -11.129 -2.705 1.00 0.00 C ATOM 0 H VAL A 23 13.277 -7.180 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 23 11.185 -9.056 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 23 13.470 -9.578 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.272 -9.863 -2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.668 -8.189 -2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.183 -9.281 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.762 -11.747 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.611 -11.241 -1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.059 -11.445 -3.337 1.00 0.00 H new ATOM 419 N LEU A 24 12.160 -8.237 -0.341 1.00 0.00 N ATOM 420 CA LEU A 24 11.830 -8.342 1.076 1.00 0.00 C ATOM 421 C LEU A 24 10.379 -7.948 1.328 1.00 0.00 C ATOM 422 O LEU A 24 9.629 -8.680 1.975 1.00 0.00 O ATOM 423 CB LEU A 24 12.763 -7.457 1.905 1.00 0.00 C ATOM 424 CG LEU A 24 12.727 -7.676 3.417 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.789 -6.830 4.104 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.347 -7.356 3.971 1.00 0.00 C ATOM 0 H LEU A 24 12.879 -7.546 -0.556 1.00 0.00 H new ATOM 0 HA LEU A 24 11.962 -9.381 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.784 -7.616 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.517 -6.415 1.703 1.00 0.00 H new ATOM 0 HG LEU A 24 12.941 -8.726 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.749 -6.999 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.774 -7.108 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.606 -5.776 3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.341 -7.518 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.102 -6.315 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.607 -8.005 3.503 1.00 0.00 H new ATOM 438 N ILE A 25 9.989 -6.787 0.812 1.00 0.00 N ATOM 439 CA ILE A 25 8.626 -6.297 0.980 1.00 0.00 C ATOM 440 C ILE A 25 7.613 -7.289 0.420 1.00 0.00 C ATOM 441 O ILE A 25 6.610 -7.599 1.064 1.00 0.00 O ATOM 442 CB ILE A 25 8.430 -4.934 0.288 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.284 -3.864 0.970 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.961 -4.538 0.308 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.710 -3.376 2.281 1.00 0.00 C ATOM 0 H ILE A 25 10.597 -6.169 0.275 1.00 0.00 H new ATOM 0 HA ILE A 25 8.462 -6.179 2.051 1.00 0.00 H new ATOM 0 HB ILE A 25 8.750 -5.020 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.282 -4.266 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.397 -3.016 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.837 -3.573 -0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.374 -5.291 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.618 -4.465 1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.368 -2.619 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.724 -2.944 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.623 -4.213 2.974 1.00 0.00 H new ATOM 457 N LEU A 26 7.881 -7.786 -0.783 1.00 0.00 N ATOM 458 CA LEU A 26 6.994 -8.745 -1.431 1.00 0.00 C ATOM 459 C LEU A 26 6.882 -10.025 -0.607 1.00 0.00 C ATOM 460 O LEU A 26 5.842 -10.681 -0.601 1.00 0.00 O ATOM 461 CB LEU A 26 7.501 -9.072 -2.836 1.00 0.00 C ATOM 462 CG LEU A 26 7.179 -8.046 -3.921 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.788 -8.464 -5.251 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.674 -7.866 -4.055 1.00 0.00 C ATOM 0 H LEU A 26 8.706 -7.540 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 26 6.004 -8.294 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.583 -9.195 -2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.083 -10.033 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 26 7.615 -7.090 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.548 -7.721 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.870 -8.540 -5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.383 -9.431 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.463 -7.132 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.216 -8.818 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.263 -7.519 -3.107 1.00 0.00 H new ATOM 476 N GLN A 27 7.961 -10.371 0.088 1.00 0.00 N ATOM 477 CA GLN A 27 7.983 -11.571 0.915 1.00 0.00 C ATOM 478 C GLN A 27 7.010 -11.445 2.082 1.00 0.00 C ATOM 479 O GLN A 27 6.189 -12.334 2.318 1.00 0.00 O ATOM 480 CB GLN A 27 9.397 -11.828 1.441 1.00 0.00 C ATOM 481 CG GLN A 27 10.306 -12.511 0.433 1.00 0.00 C ATOM 482 CD GLN A 27 10.214 -14.023 0.495 1.00 0.00 C ATOM 483 OE1 GLN A 27 9.129 -14.584 0.651 1.00 0.00 O ATOM 484 NE2 GLN A 27 11.355 -14.692 0.373 1.00 0.00 N ATOM 0 H GLN A 27 8.830 -9.838 0.095 1.00 0.00 H new ATOM 0 HA GLN A 27 7.674 -12.414 0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.844 -10.879 1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.336 -12.444 2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.046 -12.176 -0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.337 -12.206 0.614 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.232 -14.186 0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.355 -15.711 0.407 1.00 0.00 H new ATOM 493 N LEU A 28 7.105 -10.338 2.810 1.00 0.00 N ATOM 494 CA LEU A 28 6.232 -10.096 3.953 1.00 0.00 C ATOM 495 C LEU A 28 4.776 -9.983 3.512 1.00 0.00 C ATOM 496 O LEU A 28 3.885 -10.582 4.115 1.00 0.00 O ATOM 497 CB LEU A 28 6.656 -8.821 4.683 1.00 0.00 C ATOM 498 CG LEU A 28 8.152 -8.671 4.958 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.415 -7.458 5.837 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.703 -9.932 5.609 1.00 0.00 C ATOM 0 H LEU A 28 7.778 -9.593 2.629 1.00 0.00 H new ATOM 0 HA LEU A 28 6.322 -10.943 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.327 -7.964 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.126 -8.778 5.634 1.00 0.00 H new ATOM 0 HG LEU A 28 8.663 -8.522 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.485 -7.368 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.057 -6.560 5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.892 -7.576 6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.769 -9.808 5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.186 -10.110 6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.549 -10.782 4.944 1.00 0.00 H new ATOM 512 N PHE A 29 4.541 -9.212 2.454 1.00 0.00 N ATOM 513 CA PHE A 29 3.194 -9.022 1.932 1.00 0.00 C ATOM 514 C PHE A 29 2.672 -10.304 1.291 1.00 0.00 C ATOM 515 O PHE A 29 1.476 -10.594 1.340 1.00 0.00 O ATOM 516 CB PHE A 29 3.176 -7.884 0.908 1.00 0.00 C ATOM 517 CG PHE A 29 3.068 -6.521 1.528 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.158 -5.944 2.159 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.874 -5.818 1.481 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.060 -4.689 2.732 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.772 -4.562 2.051 1.00 0.00 C ATOM 522 CZ PHE A 29 2.866 -3.998 2.677 1.00 0.00 C ATOM 0 H PHE A 29 5.266 -8.709 1.943 1.00 0.00 H new ATOM 0 HA PHE A 29 2.543 -8.762 2.766 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.085 -7.931 0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.338 -8.032 0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.095 -6.480 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.015 -6.256 0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.917 -4.250 3.222 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.837 -4.023 2.007 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.788 -3.018 3.123 1.00 0.00 H new ATOM 532 N SER A 30 3.577 -11.070 0.690 1.00 0.00 N ATOM 533 CA SER A 30 3.209 -12.320 0.037 1.00 0.00 C ATOM 534 C SER A 30 2.612 -13.303 1.040 1.00 0.00 C ATOM 535 O SER A 30 1.691 -14.052 0.716 1.00 0.00 O ATOM 536 CB SER A 30 4.431 -12.945 -0.641 1.00 0.00 C ATOM 537 OG SER A 30 4.187 -14.298 -0.984 1.00 0.00 O ATOM 0 H SER A 30 4.571 -10.846 0.642 1.00 0.00 H new ATOM 0 HA SER A 30 2.456 -12.098 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.683 -12.379 -1.538 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.291 -12.885 0.026 1.00 0.00 H new ATOM 0 HG SER A 30 4.982 -14.674 -1.417 1.00 0.00 H new ATOM 543 N GLN A 31 3.144 -13.292 2.258 1.00 0.00 N ATOM 544 CA GLN A 31 2.664 -14.183 3.308 1.00 0.00 C ATOM 545 C GLN A 31 1.158 -14.032 3.503 1.00 0.00 C ATOM 546 O GLN A 31 0.469 -14.992 3.850 1.00 0.00 O ATOM 547 CB GLN A 31 3.391 -13.893 4.622 1.00 0.00 C ATOM 548 CG GLN A 31 4.875 -14.219 4.579 1.00 0.00 C ATOM 549 CD GLN A 31 5.423 -14.622 5.935 1.00 0.00 C ATOM 550 OE1 GLN A 31 4.750 -15.297 6.714 1.00 0.00 O ATOM 551 NE2 GLN A 31 6.652 -14.210 6.223 1.00 0.00 N ATOM 0 H GLN A 31 3.907 -12.677 2.542 1.00 0.00 H new ATOM 0 HA GLN A 31 2.872 -15.209 3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.266 -12.840 4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.924 -14.468 5.421 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.045 -15.027 3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.423 -13.351 4.213 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.174 -13.652 5.547 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.074 -14.451 7.120 1.00 0.00 H new ATOM 560 N ILE A 32 0.655 -12.824 3.277 1.00 0.00 N ATOM 561 CA ILE A 32 -0.769 -12.549 3.428 1.00 0.00 C ATOM 562 C ILE A 32 -1.529 -12.867 2.144 1.00 0.00 C ATOM 563 O ILE A 32 -2.538 -13.570 2.165 1.00 0.00 O ATOM 564 CB ILE A 32 -1.022 -11.079 3.810 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.337 -10.750 5.138 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.515 -10.803 3.894 1.00 0.00 C ATOM 567 CD1 ILE A 32 -0.329 -9.273 5.464 1.00 0.00 C ATOM 0 H ILE A 32 1.212 -12.020 2.989 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.131 -13.191 4.231 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.598 -10.439 3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.841 -11.288 5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.690 -11.113 5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.677 -9.760 4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.977 -11.003 2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.962 -11.448 4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.172 -9.114 6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.201 -8.730 4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.354 -8.909 5.528 1.00 0.00 H new ATOM 579 N GLY A 33 -1.033 -12.346 1.025 1.00 0.00 N ATOM 580 CA GLY A 33 -1.677 -12.587 -0.253 1.00 0.00 C ATOM 581 C GLY A 33 -0.732 -12.397 -1.422 1.00 0.00 C ATOM 582 O GLY A 33 0.358 -11.840 -1.284 1.00 0.00 O ATOM 0 H GLY A 33 -0.198 -11.762 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.073 -13.602 -0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.526 -11.912 -0.362 1.00 0.00 H new ATOM 586 N PRO A 34 -1.148 -12.869 -2.607 1.00 0.00 N ATOM 587 CA PRO A 34 -0.344 -12.760 -3.829 1.00 0.00 C ATOM 588 C PRO A 34 -0.238 -11.324 -4.328 1.00 0.00 C ATOM 589 O PRO A 34 -1.249 -10.642 -4.507 1.00 0.00 O ATOM 590 CB PRO A 34 -1.111 -13.622 -4.835 1.00 0.00 C ATOM 591 CG PRO A 34 -2.518 -13.613 -4.346 1.00 0.00 C ATOM 592 CD PRO A 34 -2.435 -13.543 -2.845 1.00 0.00 C ATOM 0 HA PRO A 34 0.686 -13.080 -3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.039 -13.213 -5.843 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.712 -14.635 -4.874 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.065 -12.760 -4.747 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.048 -14.510 -4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.268 -12.981 -2.422 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.459 -14.535 -2.394 1.00 0.00 H new ATOM 600 N CYS A 35 0.989 -10.868 -4.551 1.00 0.00 N ATOM 601 CA CYS A 35 1.226 -9.511 -5.029 1.00 0.00 C ATOM 602 C CYS A 35 1.381 -9.489 -6.546 1.00 0.00 C ATOM 603 O CYS A 35 2.197 -10.220 -7.109 1.00 0.00 O ATOM 604 CB CYS A 35 2.475 -8.926 -4.368 1.00 0.00 C ATOM 605 SG CYS A 35 2.305 -8.639 -2.591 1.00 0.00 S ATOM 0 H CYS A 35 1.836 -11.418 -4.408 1.00 0.00 H new ATOM 0 HA CYS A 35 0.363 -8.902 -4.761 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.313 -9.602 -4.537 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.723 -7.983 -4.855 1.00 0.00 H new ATOM 0 HG CYS A 35 1.056 -8.754 -2.250 1.00 0.00 H new ATOM 611 N LYS A 36 0.592 -8.646 -7.204 1.00 0.00 N ATOM 612 CA LYS A 36 0.640 -8.527 -8.656 1.00 0.00 C ATOM 613 C LYS A 36 1.974 -7.941 -9.111 1.00 0.00 C ATOM 614 O LYS A 36 2.588 -8.434 -10.057 1.00 0.00 O ATOM 615 CB LYS A 36 -0.510 -7.650 -9.155 1.00 0.00 C ATOM 616 CG LYS A 36 -0.913 -7.935 -10.592 1.00 0.00 C ATOM 617 CD LYS A 36 -2.380 -7.618 -10.832 1.00 0.00 C ATOM 618 CE LYS A 36 -2.703 -7.568 -12.318 1.00 0.00 C ATOM 619 NZ LYS A 36 -2.914 -8.929 -12.885 1.00 0.00 N ATOM 0 H LYS A 36 -0.089 -8.035 -6.754 1.00 0.00 H new ATOM 0 HA LYS A 36 0.538 -9.526 -9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.375 -7.797 -8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.221 -6.603 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.296 -7.343 -11.268 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.724 -8.983 -10.823 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.000 -8.373 -10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.627 -6.661 -10.372 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.598 -6.966 -12.475 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.890 -7.075 -12.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.265 -9.077 -13.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.729 -9.643 -12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.896 -9.019 -13.215 1.00 0.00 H new ATOM 633 N SER A 37 2.416 -6.889 -8.430 1.00 0.00 N ATOM 634 CA SER A 37 3.675 -6.235 -8.765 1.00 0.00 C ATOM 635 C SER A 37 4.076 -5.238 -7.681 1.00 0.00 C ATOM 636 O SER A 37 3.225 -4.573 -7.090 1.00 0.00 O ATOM 637 CB SER A 37 3.559 -5.520 -10.113 1.00 0.00 C ATOM 638 OG SER A 37 4.822 -5.424 -10.749 1.00 0.00 O ATOM 0 H SER A 37 1.920 -6.471 -7.642 1.00 0.00 H new ATOM 0 HA SER A 37 4.447 -7.001 -8.832 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.864 -6.060 -10.756 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.146 -4.522 -9.965 1.00 0.00 H new ATOM 0 HG SER A 37 4.721 -4.965 -11.609 1.00 0.00 H new ATOM 644 N CYS A 38 5.376 -5.144 -7.427 1.00 0.00 N ATOM 645 CA CYS A 38 5.891 -4.230 -6.413 1.00 0.00 C ATOM 646 C CYS A 38 7.009 -3.362 -6.981 1.00 0.00 C ATOM 647 O CYS A 38 7.953 -3.866 -7.590 1.00 0.00 O ATOM 648 CB CYS A 38 6.402 -5.013 -5.203 1.00 0.00 C ATOM 649 SG CYS A 38 7.254 -3.999 -3.972 1.00 0.00 S ATOM 0 H CYS A 38 6.092 -5.688 -7.908 1.00 0.00 H new ATOM 0 HA CYS A 38 5.075 -3.580 -6.098 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.559 -5.513 -4.725 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.081 -5.792 -5.549 1.00 0.00 H new ATOM 0 HG CYS A 38 6.635 -2.864 -3.841 1.00 0.00 H new ATOM 655 N LYS A 39 6.897 -2.054 -6.780 1.00 0.00 N ATOM 656 CA LYS A 39 7.896 -1.114 -7.272 1.00 0.00 C ATOM 657 C LYS A 39 8.490 -0.301 -6.126 1.00 0.00 C ATOM 658 O LYS A 39 7.813 0.541 -5.535 1.00 0.00 O ATOM 659 CB LYS A 39 7.277 -0.175 -8.310 1.00 0.00 C ATOM 660 CG LYS A 39 8.202 0.951 -8.740 1.00 0.00 C ATOM 661 CD LYS A 39 7.419 2.156 -9.235 1.00 0.00 C ATOM 662 CE LYS A 39 7.119 2.053 -10.722 1.00 0.00 C ATOM 663 NZ LYS A 39 5.926 1.203 -10.990 1.00 0.00 N ATOM 0 H LYS A 39 6.122 -1.620 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 39 8.696 -1.687 -7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.992 -0.755 -9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.362 0.254 -7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.833 1.245 -7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.865 0.597 -9.529 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.485 2.238 -8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.987 3.066 -9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.953 3.051 -11.129 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.984 1.638 -11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.541 1.431 -11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.201 0.200 -10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.202 1.383 -10.266 1.00 0.00 H new ATOM 677 N MET A 40 9.757 -0.557 -5.818 1.00 0.00 N ATOM 678 CA MET A 40 10.441 0.153 -4.744 1.00 0.00 C ATOM 679 C MET A 40 11.169 1.381 -5.282 1.00 0.00 C ATOM 680 O MET A 40 12.081 1.264 -6.101 1.00 0.00 O ATOM 681 CB MET A 40 11.433 -0.774 -4.040 1.00 0.00 C ATOM 682 CG MET A 40 12.467 -0.037 -3.205 1.00 0.00 C ATOM 683 SD MET A 40 13.515 -1.154 -2.254 1.00 0.00 S ATOM 684 CE MET A 40 12.456 -1.500 -0.850 1.00 0.00 C ATOM 0 H MET A 40 10.331 -1.251 -6.297 1.00 0.00 H new ATOM 0 HA MET A 40 9.691 0.482 -4.025 1.00 0.00 H new ATOM 0 HB2 MET A 40 10.882 -1.461 -3.398 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.946 -1.379 -4.788 1.00 0.00 H new ATOM 0 HG2 MET A 40 13.091 0.571 -3.860 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.959 0.646 -2.524 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.025 -1.382 0.072 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.615 -0.807 -0.849 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.084 -2.522 -0.918 1.00 0.00 H new ATOM 694 N ILE A 41 10.760 2.557 -4.817 1.00 0.00 N ATOM 695 CA ILE A 41 11.375 3.805 -5.252 1.00 0.00 C ATOM 696 C ILE A 41 12.248 4.400 -4.152 1.00 0.00 C ATOM 697 O ILE A 41 11.748 4.848 -3.120 1.00 0.00 O ATOM 698 CB ILE A 41 10.314 4.841 -5.666 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.258 4.191 -6.563 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.970 6.016 -6.376 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.325 5.186 -7.215 1.00 0.00 C ATOM 0 H ILE A 41 10.006 2.671 -4.140 1.00 0.00 H new ATOM 0 HA ILE A 41 11.995 3.567 -6.116 1.00 0.00 H new ATOM 0 HB ILE A 41 9.821 5.214 -4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.759 3.612 -7.339 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.671 3.489 -5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.207 6.740 -6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.688 6.491 -5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.486 5.660 -7.268 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.603 4.655 -7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.797 5.748 -6.445 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.901 5.873 -7.835 1.00 0.00 H new ATOM 810 N PRO A 49 12.997 5.835 1.968 1.00 0.00 N ATOM 811 CA PRO A 49 12.413 5.473 0.673 1.00 0.00 C ATOM 812 C PRO A 49 11.013 4.885 0.813 1.00 0.00 C ATOM 813 O PRO A 49 10.523 4.680 1.924 1.00 0.00 O ATOM 814 CB PRO A 49 13.383 4.421 0.130 1.00 0.00 C ATOM 815 CG PRO A 49 14.023 3.834 1.340 1.00 0.00 C ATOM 816 CD PRO A 49 14.111 4.950 2.344 1.00 0.00 C ATOM 0 HA PRO A 49 12.293 6.339 0.022 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.859 3.661 -0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.124 4.870 -0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.434 3.004 1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 49 15.012 3.440 1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.005 4.582 3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.070 5.465 2.289 1.00 0.00 H new ATOM 824 N TYR A 50 10.374 4.614 -0.320 1.00 0.00 N ATOM 825 CA TYR A 50 9.029 4.051 -0.323 1.00 0.00 C ATOM 826 C TYR A 50 8.851 3.071 -1.478 1.00 0.00 C ATOM 827 O TYR A 50 9.637 3.064 -2.427 1.00 0.00 O ATOM 828 CB TYR A 50 7.987 5.167 -0.422 1.00 0.00 C ATOM 829 CG TYR A 50 8.021 5.913 -1.736 1.00 0.00 C ATOM 830 CD1 TYR A 50 8.939 6.932 -1.955 1.00 0.00 C ATOM 831 CD2 TYR A 50 7.133 5.600 -2.758 1.00 0.00 C ATOM 832 CE1 TYR A 50 8.973 7.618 -3.155 1.00 0.00 C ATOM 833 CE2 TYR A 50 7.161 6.279 -3.961 1.00 0.00 C ATOM 834 CZ TYR A 50 8.082 7.287 -4.154 1.00 0.00 C ATOM 835 OH TYR A 50 8.112 7.966 -5.351 1.00 0.00 O ATOM 0 H TYR A 50 10.766 4.775 -1.248 1.00 0.00 H new ATOM 0 HA TYR A 50 8.887 3.511 0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.994 4.739 -0.283 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.146 5.874 0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.638 7.193 -1.174 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.409 4.813 -2.609 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.693 8.408 -3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.465 6.022 -4.746 1.00 0.00 H new ATOM 0 HH TYR A 50 9.026 8.268 -5.533 1.00 0.00 H new ATOM 845 N CYS A 51 7.814 2.246 -1.392 1.00 0.00 N ATOM 846 CA CYS A 51 7.531 1.261 -2.430 1.00 0.00 C ATOM 847 C CYS A 51 6.030 1.041 -2.576 1.00 0.00 C ATOM 848 O CYS A 51 5.265 1.265 -1.639 1.00 0.00 O ATOM 849 CB CYS A 51 8.224 -0.063 -2.107 1.00 0.00 C ATOM 850 SG CYS A 51 7.387 -1.046 -0.841 1.00 0.00 S ATOM 0 H CYS A 51 7.155 2.239 -0.614 1.00 0.00 H new ATOM 0 HA CYS A 51 7.917 1.644 -3.375 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.298 -0.654 -3.020 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.242 0.143 -1.777 1.00 0.00 H new ATOM 0 HG CYS A 51 6.385 -1.679 -1.375 1.00 0.00 H new ATOM 856 N PHE A 52 5.614 0.600 -3.759 1.00 0.00 N ATOM 857 CA PHE A 52 4.202 0.353 -4.029 1.00 0.00 C ATOM 858 C PHE A 52 3.918 -1.145 -4.102 1.00 0.00 C ATOM 859 O PHE A 52 4.682 -1.906 -4.695 1.00 0.00 O ATOM 860 CB PHE A 52 3.786 1.025 -5.339 1.00 0.00 C ATOM 861 CG PHE A 52 3.869 2.525 -5.295 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.102 3.247 -4.395 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.712 3.211 -6.154 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.175 4.627 -4.353 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.790 4.589 -6.116 1.00 0.00 C ATOM 866 CZ PHE A 52 4.021 5.298 -5.214 1.00 0.00 C ATOM 0 H PHE A 52 6.234 0.406 -4.545 1.00 0.00 H new ATOM 0 HA PHE A 52 3.621 0.778 -3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.421 0.657 -6.145 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.764 0.732 -5.580 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.440 2.726 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.315 2.662 -6.862 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.571 5.179 -3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.452 5.112 -6.791 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.081 6.376 -5.182 1.00 0.00 H new ATOM 876 N VAL A 53 2.812 -1.561 -3.491 1.00 0.00 N ATOM 877 CA VAL A 53 2.426 -2.967 -3.486 1.00 0.00 C ATOM 878 C VAL A 53 1.013 -3.150 -4.031 1.00 0.00 C ATOM 879 O VAL A 53 0.043 -2.677 -3.441 1.00 0.00 O ATOM 880 CB VAL A 53 2.496 -3.562 -2.067 1.00 0.00 C ATOM 881 CG1 VAL A 53 1.937 -4.976 -2.053 1.00 0.00 C ATOM 882 CG2 VAL A 53 3.928 -3.543 -1.553 1.00 0.00 C ATOM 0 H VAL A 53 2.169 -0.945 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 53 3.132 -3.492 -4.129 1.00 0.00 H new ATOM 0 HB VAL A 53 1.886 -2.949 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.995 -5.380 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.897 -4.959 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.518 -5.604 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.960 -3.967 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.561 -4.133 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.291 -2.516 -1.525 1.00 0.00 H new ATOM 892 N GLU A 54 0.908 -3.841 -5.163 1.00 0.00 N ATOM 893 CA GLU A 54 -0.386 -4.086 -5.789 1.00 0.00 C ATOM 894 C GLU A 54 -0.807 -5.543 -5.615 1.00 0.00 C ATOM 895 O GLU A 54 -0.023 -6.461 -5.860 1.00 0.00 O ATOM 896 CB GLU A 54 -0.334 -3.733 -7.276 1.00 0.00 C ATOM 897 CG GLU A 54 -1.700 -3.691 -7.940 1.00 0.00 C ATOM 898 CD GLU A 54 -1.629 -3.265 -9.394 1.00 0.00 C ATOM 899 OE1 GLU A 54 -1.604 -2.045 -9.655 1.00 0.00 O ATOM 900 OE2 GLU A 54 -1.596 -4.154 -10.271 1.00 0.00 O ATOM 0 H GLU A 54 1.702 -4.240 -5.664 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.124 -3.451 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.148 -2.762 -7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.289 -4.463 -7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.161 -4.676 -7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.344 -3.002 -7.394 1.00 0.00 H new ATOM 907 N PHE A 55 -2.050 -5.748 -5.191 1.00 0.00 N ATOM 908 CA PHE A 55 -2.575 -7.091 -4.983 1.00 0.00 C ATOM 909 C PHE A 55 -3.553 -7.471 -6.091 1.00 0.00 C ATOM 910 O PHE A 55 -4.096 -6.605 -6.778 1.00 0.00 O ATOM 911 CB PHE A 55 -3.267 -7.186 -3.622 1.00 0.00 C ATOM 912 CG PHE A 55 -2.318 -7.414 -2.480 1.00 0.00 C ATOM 913 CD1 PHE A 55 -1.901 -8.693 -2.154 1.00 0.00 C ATOM 914 CD2 PHE A 55 -1.844 -6.347 -1.734 1.00 0.00 C ATOM 915 CE1 PHE A 55 -1.027 -8.906 -1.104 1.00 0.00 C ATOM 916 CE2 PHE A 55 -0.969 -6.554 -0.684 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.561 -7.835 -0.368 1.00 0.00 C ATOM 0 H PHE A 55 -2.712 -5.000 -4.985 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.738 -7.789 -5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.825 -6.267 -3.442 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.993 -7.999 -3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.263 -9.534 -2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.161 -5.343 -1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.709 -9.909 -0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.605 -5.714 -0.111 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.121 -7.999 0.453 1.00 0.00 H new ATOM 927 N TYR A 56 -3.771 -8.770 -6.260 1.00 0.00 N ATOM 928 CA TYR A 56 -4.680 -9.266 -7.286 1.00 0.00 C ATOM 929 C TYR A 56 -6.134 -9.032 -6.886 1.00 0.00 C ATOM 930 O TYR A 56 -7.004 -8.862 -7.739 1.00 0.00 O ATOM 931 CB TYR A 56 -4.441 -10.756 -7.533 1.00 0.00 C ATOM 932 CG TYR A 56 -3.177 -11.047 -8.310 1.00 0.00 C ATOM 933 CD1 TYR A 56 -3.156 -10.961 -9.697 1.00 0.00 C ATOM 934 CD2 TYR A 56 -2.004 -11.406 -7.658 1.00 0.00 C ATOM 935 CE1 TYR A 56 -2.003 -11.226 -10.412 1.00 0.00 C ATOM 936 CE2 TYR A 56 -0.847 -11.672 -8.364 1.00 0.00 C ATOM 937 CZ TYR A 56 -0.851 -11.581 -9.741 1.00 0.00 C ATOM 938 OH TYR A 56 0.298 -11.845 -10.449 1.00 0.00 O ATOM 0 H TYR A 56 -3.330 -9.499 -5.699 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.482 -8.716 -8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.394 -11.272 -6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.293 -11.167 -8.075 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.056 -10.682 -10.225 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.997 -11.478 -6.580 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.004 -11.156 -11.490 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.056 -11.950 -7.841 1.00 0.00 H new ATOM 0 HH TYR A 56 1.019 -12.079 -9.828 1.00 0.00 H new ATOM 948 N GLU A 57 -6.386 -9.024 -5.581 1.00 0.00 N ATOM 949 CA GLU A 57 -7.734 -8.811 -5.066 1.00 0.00 C ATOM 950 C GLU A 57 -7.756 -7.670 -4.052 1.00 0.00 C ATOM 951 O GLU A 57 -6.734 -7.344 -3.446 1.00 0.00 O ATOM 952 CB GLU A 57 -8.267 -10.092 -4.420 1.00 0.00 C ATOM 953 CG GLU A 57 -8.116 -11.323 -5.298 1.00 0.00 C ATOM 954 CD GLU A 57 -9.266 -11.489 -6.272 1.00 0.00 C ATOM 955 OE1 GLU A 57 -10.432 -11.371 -5.840 1.00 0.00 O ATOM 956 OE2 GLU A 57 -9.000 -11.736 -7.467 1.00 0.00 O ATOM 0 H GLU A 57 -5.676 -9.162 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.376 -8.542 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.743 -10.260 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.321 -9.956 -4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.181 -11.256 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.049 -12.209 -4.667 1.00 0.00 H new ATOM 963 N HIS A 58 -8.927 -7.067 -3.874 1.00 0.00 N ATOM 964 CA HIS A 58 -9.082 -5.963 -2.934 1.00 0.00 C ATOM 965 C HIS A 58 -9.040 -6.465 -1.494 1.00 0.00 C ATOM 966 O HIS A 58 -8.515 -5.791 -0.607 1.00 0.00 O ATOM 967 CB HIS A 58 -10.397 -5.226 -3.192 1.00 0.00 C ATOM 968 CG HIS A 58 -10.817 -4.338 -2.062 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.167 -3.164 -1.745 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.831 -4.455 -1.173 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.760 -2.599 -0.710 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.774 -3.363 -0.343 1.00 0.00 N ATOM 0 H HIS A 58 -9.782 -7.324 -4.368 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.252 -5.272 -3.083 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.296 -4.626 -4.097 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.183 -5.957 -3.380 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.354 -2.790 -2.234 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.551 -5.258 -1.125 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.467 -1.671 -0.243 1.00 0.00 H new ATOM 980 N ARG A 59 -9.597 -7.650 -1.269 1.00 0.00 N ATOM 981 CA ARG A 59 -9.625 -8.241 0.062 1.00 0.00 C ATOM 982 C ARG A 59 -8.210 -8.435 0.601 1.00 0.00 C ATOM 983 O ARG A 59 -7.960 -8.260 1.793 1.00 0.00 O ATOM 984 CB ARG A 59 -10.359 -9.583 0.033 1.00 0.00 C ATOM 985 CG ARG A 59 -9.745 -10.593 -0.921 1.00 0.00 C ATOM 986 CD ARG A 59 -10.311 -11.986 -0.699 1.00 0.00 C ATOM 987 NE ARG A 59 -9.634 -12.685 0.390 1.00 0.00 N ATOM 988 CZ ARG A 59 -10.152 -13.729 1.029 1.00 0.00 C ATOM 989 NH1 ARG A 59 -11.347 -14.191 0.690 1.00 0.00 N ATOM 990 NH2 ARG A 59 -9.474 -14.311 2.010 1.00 0.00 N ATOM 0 H ARG A 59 -10.035 -8.220 -1.993 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.157 -7.558 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.368 -10.004 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.398 -9.413 -0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.931 -10.283 -1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.664 -10.613 -0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.376 -11.913 -0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.216 -12.566 -1.617 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.713 -12.354 0.676 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.871 -13.745 -0.063 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.742 -14.992 1.182 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.555 -13.957 2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.872 -15.112 2.500 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.290 -8.799 -0.286 1.00 0.00 N ATOM 1005 CA ASP A 60 -5.901 -9.017 0.099 1.00 0.00 C ATOM 1006 C ASP A 60 -5.207 -7.693 0.402 1.00 0.00 C ATOM 1007 O ASP A 60 -4.491 -7.568 1.394 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.152 -9.758 -1.009 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.753 -11.118 -1.304 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.682 -11.526 -0.576 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -5.295 -11.774 -2.263 1.00 0.00 O ATOM 0 H ASP A 60 -7.482 -8.949 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.892 -9.627 1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.162 -9.155 -1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.108 -9.880 -0.719 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.424 -6.706 -0.462 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.820 -5.391 -0.287 1.00 0.00 C ATOM 1018 C ALA A 61 -5.197 -4.789 1.063 1.00 0.00 C ATOM 1019 O ALA A 61 -4.348 -4.245 1.769 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.242 -4.462 -1.417 1.00 0.00 C ATOM 0 H ALA A 61 -6.014 -6.793 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.737 -5.509 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.784 -3.483 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.918 -4.878 -2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.327 -4.358 -1.417 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.474 -4.890 1.415 1.00 0.00 N ATOM 1027 CA ALA A 62 -6.962 -4.356 2.681 1.00 0.00 C ATOM 1028 C ALA A 62 -6.419 -5.158 3.860 1.00 0.00 C ATOM 1029 O ALA A 62 -6.054 -4.593 4.890 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.484 -4.352 2.700 1.00 0.00 C ATOM 0 H ALA A 62 -7.190 -5.337 0.842 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.605 -3.331 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.835 -3.951 3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.856 -3.732 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.852 -5.371 2.578 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.368 -6.476 3.701 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.867 -7.353 4.752 1.00 0.00 C ATOM 1038 C ALA A 63 -4.392 -7.091 5.030 1.00 0.00 C ATOM 1039 O ALA A 63 -3.976 -6.993 6.184 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.083 -8.810 4.369 1.00 0.00 C ATOM 0 H ALA A 63 -6.667 -6.960 2.855 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.424 -7.141 5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.705 -9.455 5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.148 -8.995 4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.551 -9.025 3.442 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.604 -6.977 3.965 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.175 -6.723 4.096 1.00 0.00 C ATOM 1048 C ALA A 64 -1.910 -5.290 4.544 1.00 0.00 C ATOM 1049 O ALA A 64 -0.961 -5.025 5.282 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.467 -7.007 2.779 1.00 0.00 C ATOM 0 H ALA A 64 -3.932 -7.057 3.002 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.780 -7.392 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.400 -6.813 2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.619 -8.050 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.874 -6.361 2.001 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.753 -4.369 4.092 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.610 -2.961 4.447 1.00 0.00 C ATOM 1058 C LEU A 65 -2.680 -2.770 5.958 1.00 0.00 C ATOM 1059 O LEU A 65 -1.813 -2.133 6.555 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.698 -2.129 3.764 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.948 -0.740 4.352 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.900 0.246 3.860 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.347 -0.256 3.998 1.00 0.00 C ATOM 0 H LEU A 65 -3.543 -4.571 3.479 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.633 -2.623 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.434 -2.015 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.632 -2.690 3.799 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.871 -0.807 5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.095 1.229 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.910 -0.093 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.943 0.310 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.508 0.734 4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.451 -0.206 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.085 -0.949 4.402 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.719 -3.328 6.572 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.901 -3.223 8.015 1.00 0.00 C ATOM 1077 C ALA A 66 -2.826 -4.004 8.762 1.00 0.00 C ATOM 1078 O ALA A 66 -2.297 -3.541 9.772 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.286 -3.714 8.410 1.00 0.00 C ATOM 0 H ALA A 66 -4.447 -3.857 6.093 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.808 -2.173 8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.408 -3.630 9.490 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.043 -3.108 7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.401 -4.756 8.112 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.509 -5.194 8.259 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.497 -6.039 8.880 1.00 0.00 C ATOM 1087 C ALA A 67 -0.111 -5.417 8.754 1.00 0.00 C ATOM 1088 O ALA A 67 0.740 -5.594 9.627 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.514 -7.426 8.254 1.00 0.00 C ATOM 0 H ALA A 67 -2.938 -5.593 7.424 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.732 -6.127 9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.754 -8.048 8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.495 -7.879 8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.306 -7.346 7.187 1.00 0.00 H new ATOM 1095 N MET A 68 0.110 -4.689 7.665 1.00 0.00 N ATOM 1096 CA MET A 68 1.395 -4.040 7.428 1.00 0.00 C ATOM 1097 C MET A 68 1.356 -2.580 7.868 1.00 0.00 C ATOM 1098 O MET A 68 2.397 -1.951 8.054 1.00 0.00 O ATOM 1099 CB MET A 68 1.769 -4.128 5.947 1.00 0.00 C ATOM 1100 CG MET A 68 1.932 -5.554 5.445 1.00 0.00 C ATOM 1101 SD MET A 68 3.176 -6.478 6.367 1.00 0.00 S ATOM 1102 CE MET A 68 4.653 -5.548 5.965 1.00 0.00 C ATOM 0 H MET A 68 -0.583 -4.533 6.933 1.00 0.00 H new ATOM 0 HA MET A 68 2.150 -4.559 8.018 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.001 -3.629 5.356 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.700 -3.585 5.783 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.975 -6.071 5.515 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.207 -5.534 4.391 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.422 -6.227 5.596 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.421 -4.811 5.196 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.017 -5.039 6.858 1.00 0.00 H new ATOM 1112 N ASN A 69 0.149 -2.048 8.033 1.00 0.00 N ATOM 1113 CA ASN A 69 -0.024 -0.662 8.451 1.00 0.00 C ATOM 1114 C ASN A 69 0.729 -0.387 9.749 1.00 0.00 C ATOM 1115 O ASN A 69 0.255 -0.714 10.836 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.510 -0.345 8.634 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.742 0.793 9.610 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -2.329 0.601 10.674 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.281 1.985 9.249 1.00 0.00 N ATOM 0 H ASN A 69 -0.723 -2.556 7.884 1.00 0.00 H new ATOM 0 HA ASN A 69 0.385 -0.020 7.671 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.945 -0.087 7.669 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.028 -1.236 8.989 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.408 2.789 9.864 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.800 2.097 8.357 1.00 0.00 H new ATOM 1126 N GLY A 70 1.908 0.217 9.627 1.00 0.00 N ATOM 1127 CA GLY A 70 2.708 0.527 10.797 1.00 0.00 C ATOM 1128 C GLY A 70 3.344 -0.706 11.407 1.00 0.00 C ATOM 1129 O GLY A 70 3.592 -0.754 12.612 1.00 0.00 O ATOM 0 H GLY A 70 2.323 0.497 8.738 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.488 1.237 10.522 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.081 1.016 11.543 1.00 0.00 H new ATOM 1133 N ARG A 71 3.610 -1.707 10.573 1.00 0.00 N ATOM 1134 CA ARG A 71 4.219 -2.947 11.037 1.00 0.00 C ATOM 1135 C ARG A 71 5.715 -2.764 11.271 1.00 0.00 C ATOM 1136 O ARG A 71 6.321 -1.816 10.770 1.00 0.00 O ATOM 1137 CB ARG A 71 3.983 -4.067 10.023 1.00 0.00 C ATOM 1138 CG ARG A 71 4.422 -5.436 10.515 1.00 0.00 C ATOM 1139 CD ARG A 71 4.198 -6.506 9.458 1.00 0.00 C ATOM 1140 NE ARG A 71 4.532 -7.841 9.949 1.00 0.00 N ATOM 1141 CZ ARG A 71 3.798 -8.502 10.838 1.00 0.00 C ATOM 1142 NH1 ARG A 71 2.695 -7.955 11.328 1.00 0.00 N ATOM 1143 NH2 ARG A 71 4.168 -9.712 11.236 1.00 0.00 N ATOM 0 H ARG A 71 3.413 -1.683 9.573 1.00 0.00 H new ATOM 0 HA ARG A 71 3.752 -3.220 11.983 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.922 -4.103 9.774 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.519 -3.832 9.103 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.478 -5.405 10.785 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.869 -5.694 11.418 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.156 -6.488 9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.804 -6.281 8.580 1.00 0.00 H new ATOM 0 HE ARG A 71 5.374 -8.290 9.590 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.408 -7.025 11.023 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.133 -8.464 12.010 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.016 -10.135 10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.604 -10.219 11.918 1.00 0.00 H new ATOM 1157 N LYS A 72 6.306 -3.677 12.035 1.00 0.00 N ATOM 1158 CA LYS A 72 7.732 -3.618 12.334 1.00 0.00 C ATOM 1159 C LYS A 72 8.532 -4.452 11.338 1.00 0.00 C ATOM 1160 O LYS A 72 8.362 -5.669 11.257 1.00 0.00 O ATOM 1161 CB LYS A 72 7.995 -4.111 13.758 1.00 0.00 C ATOM 1162 CG LYS A 72 7.982 -3.004 14.797 1.00 0.00 C ATOM 1163 CD LYS A 72 9.384 -2.490 15.082 1.00 0.00 C ATOM 1164 CE LYS A 72 9.716 -1.276 14.228 1.00 0.00 C ATOM 1165 NZ LYS A 72 9.347 -0.003 14.905 1.00 0.00 N ATOM 0 H LYS A 72 5.819 -4.467 12.458 1.00 0.00 H new ATOM 0 HA LYS A 72 8.053 -2.580 12.251 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.242 -4.854 14.021 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.962 -4.613 13.787 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.357 -2.183 14.447 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.535 -3.375 15.719 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.470 -2.229 16.137 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.109 -3.281 14.890 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.782 -1.271 14.003 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.189 -1.347 13.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.636 0.802 14.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.318 0.027 15.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.829 0.054 15.825 1.00 0.00 H new ATOM 1179 N ILE A 73 9.406 -3.792 10.586 1.00 0.00 N ATOM 1180 CA ILE A 73 10.233 -4.473 9.600 1.00 0.00 C ATOM 1181 C ILE A 73 11.685 -4.013 9.687 1.00 0.00 C ATOM 1182 O ILE A 73 11.986 -2.835 9.490 1.00 0.00 O ATOM 1183 CB ILE A 73 9.716 -4.234 8.169 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.283 -4.753 8.028 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.630 -4.906 7.155 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.622 -4.355 6.727 1.00 0.00 C ATOM 0 H ILE A 73 9.559 -2.785 10.642 1.00 0.00 H new ATOM 0 HA ILE A 73 10.178 -5.538 9.825 1.00 0.00 H new ATOM 0 HB ILE A 73 9.716 -3.162 7.974 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.290 -5.840 8.105 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.686 -4.378 8.859 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.251 -4.728 6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.635 -4.494 7.242 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.660 -5.979 7.347 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.609 -4.757 6.696 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.583 -3.268 6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.196 -4.753 5.890 1.00 0.00 H new ATOM 1198 N LEU A 74 12.579 -4.950 9.981 1.00 0.00 N ATOM 1199 CA LEU A 74 14.001 -4.642 10.092 1.00 0.00 C ATOM 1200 C LEU A 74 14.251 -3.619 11.196 1.00 0.00 C ATOM 1201 O LEU A 74 15.107 -2.745 11.064 1.00 0.00 O ATOM 1202 CB LEU A 74 14.533 -4.111 8.760 1.00 0.00 C ATOM 1203 CG LEU A 74 14.540 -5.104 7.597 1.00 0.00 C ATOM 1204 CD1 LEU A 74 15.114 -4.457 6.346 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.328 -6.352 7.964 1.00 0.00 C ATOM 0 H LEU A 74 12.345 -5.929 10.147 1.00 0.00 H new ATOM 0 HA LEU A 74 14.528 -5.561 10.347 1.00 0.00 H new ATOM 0 HB2 LEU A 74 13.934 -3.247 8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.552 -3.755 8.914 1.00 0.00 H new ATOM 0 HG LEU A 74 13.511 -5.398 7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.111 -5.179 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.507 -3.595 6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.137 -4.133 6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.322 -7.047 7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.356 -6.077 8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.872 -6.828 8.832 1.00 0.00 H new ATOM 1217 N GLY A 75 13.500 -3.737 12.287 1.00 0.00 N ATOM 1218 CA GLY A 75 13.657 -2.818 13.399 1.00 0.00 C ATOM 1219 C GLY A 75 13.065 -1.453 13.112 1.00 0.00 C ATOM 1220 O GLY A 75 13.048 -0.580 13.979 1.00 0.00 O ATOM 0 H GLY A 75 12.786 -4.453 12.420 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.180 -3.239 14.284 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.717 -2.710 13.630 1.00 0.00 H new ATOM 1224 N LYS A 76 12.580 -1.266 11.889 1.00 0.00 N ATOM 1225 CA LYS A 76 11.983 0.003 11.488 1.00 0.00 C ATOM 1226 C LYS A 76 10.514 -0.179 11.121 1.00 0.00 C ATOM 1227 O LYS A 76 10.174 -1.011 10.281 1.00 0.00 O ATOM 1228 CB LYS A 76 12.747 0.595 10.301 1.00 0.00 C ATOM 1229 CG LYS A 76 12.719 2.113 10.258 1.00 0.00 C ATOM 1230 CD LYS A 76 13.758 2.663 9.295 1.00 0.00 C ATOM 1231 CE LYS A 76 14.168 4.080 9.665 1.00 0.00 C ATOM 1232 NZ LYS A 76 14.825 4.136 11.001 1.00 0.00 N ATOM 0 H LYS A 76 12.589 -1.977 11.158 1.00 0.00 H new ATOM 0 HA LYS A 76 12.045 0.689 12.332 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.783 0.260 10.343 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.323 0.205 9.376 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.727 2.451 9.957 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.901 2.510 11.257 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.636 2.017 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.357 2.652 8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.849 4.470 8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.289 4.724 9.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.461 4.958 11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.100 4.223 11.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.374 3.266 11.155 1.00 0.00 H new ATOM 1246 N GLU A 77 9.650 0.607 11.755 1.00 0.00 N ATOM 1247 CA GLU A 77 8.217 0.532 11.493 1.00 0.00 C ATOM 1248 C GLU A 77 7.881 1.126 10.128 1.00 0.00 C ATOM 1249 O GLU A 77 8.301 2.236 9.801 1.00 0.00 O ATOM 1250 CB GLU A 77 7.437 1.267 12.586 1.00 0.00 C ATOM 1251 CG GLU A 77 6.060 0.682 12.849 1.00 0.00 C ATOM 1252 CD GLU A 77 5.164 1.627 13.628 1.00 0.00 C ATOM 1253 OE1 GLU A 77 5.672 2.307 14.543 1.00 0.00 O ATOM 1254 OE2 GLU A 77 3.955 1.686 13.318 1.00 0.00 O ATOM 0 H GLU A 77 9.916 1.302 12.453 1.00 0.00 H new ATOM 0 HA GLU A 77 7.929 -0.519 11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.015 1.245 13.510 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.330 2.314 12.302 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.585 0.438 11.899 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.165 -0.251 13.402 1.00 0.00 H new ATOM 1261 N VAL A 78 7.122 0.377 9.334 1.00 0.00 N ATOM 1262 CA VAL A 78 6.729 0.827 8.005 1.00 0.00 C ATOM 1263 C VAL A 78 5.278 1.296 7.990 1.00 0.00 C ATOM 1264 O VAL A 78 4.406 0.670 8.592 1.00 0.00 O ATOM 1265 CB VAL A 78 6.908 -0.288 6.958 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.191 -1.064 7.217 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.704 -1.219 6.962 1.00 0.00 C ATOM 0 H VAL A 78 6.767 -0.545 9.589 1.00 0.00 H new ATOM 0 HA VAL A 78 7.380 1.663 7.749 1.00 0.00 H new ATOM 0 HB VAL A 78 6.982 0.172 5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.300 -1.847 6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.043 -0.387 7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.150 -1.514 8.209 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.846 -2.001 6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.598 -1.672 7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.804 -0.651 6.725 1.00 0.00 H new ATOM 1277 N LYS A 79 5.027 2.401 7.296 1.00 0.00 N ATOM 1278 CA LYS A 79 3.682 2.955 7.200 1.00 0.00 C ATOM 1279 C LYS A 79 3.026 2.564 5.879 1.00 0.00 C ATOM 1280 O LYS A 79 3.508 2.921 4.805 1.00 0.00 O ATOM 1281 CB LYS A 79 3.725 4.480 7.329 1.00 0.00 C ATOM 1282 CG LYS A 79 4.451 5.165 6.185 1.00 0.00 C ATOM 1283 CD LYS A 79 4.655 6.646 6.461 1.00 0.00 C ATOM 1284 CE LYS A 79 3.362 7.428 6.294 1.00 0.00 C ATOM 1285 NZ LYS A 79 3.188 7.921 4.900 1.00 0.00 N ATOM 0 H LYS A 79 5.738 2.931 6.792 1.00 0.00 H new ATOM 0 HA LYS A 79 3.088 2.545 8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.705 4.861 7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.212 4.744 8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.418 4.687 6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.881 5.041 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.034 6.779 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.411 7.043 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.517 6.794 6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.358 8.274 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.027 8.948 4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.044 7.712 4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.371 7.448 4.464 1.00 0.00 H new ATOM 1299 N VAL A 80 1.922 1.829 5.968 1.00 0.00 N ATOM 1300 CA VAL A 80 1.198 1.392 4.780 1.00 0.00 C ATOM 1301 C VAL A 80 -0.194 2.011 4.725 1.00 0.00 C ATOM 1302 O VAL A 80 -0.931 1.995 5.710 1.00 0.00 O ATOM 1303 CB VAL A 80 1.067 -0.143 4.735 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.587 -0.598 3.365 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.392 -0.800 5.092 1.00 0.00 C ATOM 0 H VAL A 80 1.510 1.524 6.850 1.00 0.00 H new ATOM 0 HA VAL A 80 1.775 1.726 3.918 1.00 0.00 H new ATOM 0 HB VAL A 80 0.325 -0.450 5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.500 -1.684 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.386 -0.154 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.302 -0.282 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.282 -1.884 5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.156 -0.489 4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.688 -0.499 6.097 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.547 2.557 3.566 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.853 3.182 3.383 1.00 0.00 C ATOM 1317 C ASN A 81 -2.370 2.956 1.965 1.00 0.00 C ATOM 1318 O ASN A 81 -1.629 2.513 1.087 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.768 4.683 3.673 1.00 0.00 C ATOM 1320 CG ASN A 81 -3.111 5.374 3.543 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -4.061 5.047 4.253 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.195 6.335 2.631 1.00 0.00 N ATOM 0 H ASN A 81 0.051 2.580 2.740 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.550 2.722 4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.381 4.834 4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.058 5.143 2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.074 6.836 2.497 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.381 6.573 2.064 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.644 3.263 1.750 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.260 3.094 0.439 1.00 0.00 C ATOM 1331 C TRP A 82 -3.686 4.087 -0.564 1.00 0.00 C ATOM 1332 O TRP A 82 -3.696 5.296 -0.330 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.776 3.268 0.540 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.459 2.137 1.246 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -6.985 2.157 2.507 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.687 0.820 0.735 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.527 0.931 2.810 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.358 0.093 1.739 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.392 0.183 -0.473 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.735 -1.236 1.569 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.768 -1.136 -0.641 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.434 -1.835 0.376 1.00 0.00 C ATOM 0 H TRP A 82 -4.270 3.630 2.466 1.00 0.00 H new ATOM 0 HA TRP A 82 -4.040 2.086 0.088 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.993 4.198 1.065 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.191 3.364 -0.463 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -6.976 3.011 3.168 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.981 0.685 3.689 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.879 0.713 -1.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.247 -1.776 2.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.545 -1.637 -1.571 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.715 -2.865 0.215 1.00 0.00 H new ATOM 1353 N ALA A 83 -3.187 3.572 -1.683 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.612 4.415 -2.723 1.00 0.00 C ATOM 1355 C ALA A 83 -3.692 4.949 -3.658 1.00 0.00 C ATOM 1356 O ALA A 83 -3.627 4.757 -4.873 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.564 3.642 -3.510 1.00 0.00 C ATOM 0 H ALA A 83 -3.170 2.574 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.133 5.267 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.143 4.284 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.771 3.316 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.027 2.771 -3.974 1.00 0.00 H new