USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 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= -0.551! X(o=-0.55!,f=-0.78) USER MOD Single : A 17 SER OG : rot 180:sc= -0.397 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.935 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.000798 X(o=-0.0008,f=-0.1) USER MOD Single : A 35 CYS SG : rot -22:sc= -0.18 USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= 0.888 (180deg=0.423) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 38:sc= 0.125 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -127:sc= -0.623 (180deg=-2.93!) USER MOD Single : A 50 TYR OH : rot 0:sc= -0.71 USER MOD Single : A 51 CYS SG : rot -120:sc= -0.0608 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 0.458 K(o=0.46,f=-1.5!) USER MOD Single : A 68 MET CE :methyl -128:sc= -8.61! (180deg=-11.7!) USER MOD Single : A 69 ASN : amide:sc= -0.41 K(o=-0.41,f=-1) USER MOD Single : A 72 LYS NZ :NH3+ -123:sc= -1.4 (180deg=-2.95!) USER MOD Single : A 76 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00468) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0221) USER MOD Single : A 81 ASN : amide:sc= -0.38 K(o=-0.38,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.752 -0.414 -5.066 1.00 0.00 N ATOM 164 CA PRO A 8 -8.307 -0.172 -5.079 1.00 0.00 C ATOM 165 C PRO A 8 -7.510 -1.395 -4.639 1.00 0.00 C ATOM 166 O PRO A 8 -7.852 -2.049 -3.653 1.00 0.00 O ATOM 167 CB PRO A 8 -8.128 0.971 -4.077 1.00 0.00 C ATOM 168 CG PRO A 8 -9.295 0.854 -3.158 1.00 0.00 C ATOM 169 CD PRO A 8 -10.431 0.335 -3.996 1.00 0.00 C ATOM 0 HA PRO A 8 -7.943 0.060 -6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.187 0.879 -3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.114 1.939 -4.578 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.076 0.175 -2.334 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.544 1.820 -2.718 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.097 -0.305 -3.418 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.038 1.147 -4.397 1.00 0.00 H new ATOM 177 N ARG A 9 -6.446 -1.700 -5.376 1.00 0.00 N ATOM 178 CA ARG A 9 -5.602 -2.846 -5.061 1.00 0.00 C ATOM 179 C ARG A 9 -4.144 -2.422 -4.912 1.00 0.00 C ATOM 180 O ARG A 9 -3.234 -3.249 -4.985 1.00 0.00 O ATOM 181 CB ARG A 9 -5.726 -3.912 -6.151 1.00 0.00 C ATOM 182 CG ARG A 9 -6.878 -4.878 -5.931 1.00 0.00 C ATOM 183 CD ARG A 9 -7.430 -5.397 -7.250 1.00 0.00 C ATOM 184 NE ARG A 9 -7.931 -4.318 -8.096 1.00 0.00 N ATOM 185 CZ ARG A 9 -8.600 -4.520 -9.227 1.00 0.00 C ATOM 186 NH1 ARG A 9 -8.846 -5.755 -9.642 1.00 0.00 N ATOM 187 NH2 ARG A 9 -9.024 -3.486 -9.942 1.00 0.00 N ATOM 0 H ARG A 9 -6.149 -1.169 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.939 -3.265 -4.113 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.855 -3.420 -7.115 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.795 -4.476 -6.203 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.540 -5.716 -5.322 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.671 -4.379 -5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.649 -5.941 -7.781 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.234 -6.106 -7.053 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.758 -3.356 -7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.522 -6.551 -9.093 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.359 -5.909 -10.510 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.837 -2.535 -9.624 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.537 -3.642 -10.810 1.00 0.00 H new ATOM 201 N THR A 10 -3.927 -1.128 -4.702 1.00 0.00 N ATOM 202 CA THR A 10 -2.581 -0.593 -4.545 1.00 0.00 C ATOM 203 C THR A 10 -2.409 0.072 -3.185 1.00 0.00 C ATOM 204 O THR A 10 -3.274 0.827 -2.738 1.00 0.00 O ATOM 205 CB THR A 10 -2.249 0.428 -5.650 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.619 -0.097 -6.930 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.766 0.768 -5.644 1.00 0.00 C ATOM 0 H THR A 10 -4.668 -0.430 -4.637 1.00 0.00 H new ATOM 0 HA THR A 10 -1.895 -1.436 -4.623 1.00 0.00 H new ATOM 0 HB THR A 10 -2.815 1.339 -5.455 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.406 0.559 -7.626 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.555 1.490 -6.432 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.495 1.195 -4.679 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.184 -0.138 -5.817 1.00 0.00 H new ATOM 215 N LEU A 11 -1.288 -0.211 -2.531 1.00 0.00 N ATOM 216 CA LEU A 11 -1.002 0.362 -1.220 1.00 0.00 C ATOM 217 C LEU A 11 0.366 1.036 -1.207 1.00 0.00 C ATOM 218 O LEU A 11 1.331 0.515 -1.764 1.00 0.00 O ATOM 219 CB LEU A 11 -1.059 -0.724 -0.144 1.00 0.00 C ATOM 220 CG LEU A 11 -2.117 -1.810 -0.341 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.788 -3.034 0.500 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.499 -1.277 0.006 1.00 0.00 C ATOM 0 H LEU A 11 -0.562 -0.833 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.760 1.116 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.082 -1.203 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.235 -0.244 0.819 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.117 -2.105 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.552 -3.796 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.816 -3.429 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.760 -2.755 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.239 -2.063 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.513 -0.954 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.736 -0.431 -0.640 1.00 0.00 H new ATOM 234 N TYR A 12 0.441 2.197 -0.565 1.00 0.00 N ATOM 235 CA TYR A 12 1.691 2.943 -0.480 1.00 0.00 C ATOM 236 C TYR A 12 2.447 2.595 0.800 1.00 0.00 C ATOM 237 O TYR A 12 1.904 2.691 1.900 1.00 0.00 O ATOM 238 CB TYR A 12 1.417 4.447 -0.530 1.00 0.00 C ATOM 239 CG TYR A 12 2.535 5.287 0.044 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.708 5.405 1.418 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.421 5.961 -0.787 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.728 6.171 1.946 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.445 6.728 -0.268 1.00 0.00 C ATOM 244 CZ TYR A 12 4.595 6.831 1.099 1.00 0.00 C ATOM 245 OH TYR A 12 5.614 7.594 1.622 1.00 0.00 O ATOM 0 H TYR A 12 -0.348 2.641 -0.096 1.00 0.00 H new ATOM 0 HA TYR A 12 2.309 2.665 -1.334 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.247 4.742 -1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.498 4.658 0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.033 4.889 2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.307 5.884 -1.858 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.847 6.253 3.016 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.125 7.245 -0.929 1.00 0.00 H new ATOM 0 HH TYR A 12 6.134 7.990 0.892 1.00 0.00 H new ATOM 255 N VAL A 13 3.703 2.191 0.646 1.00 0.00 N ATOM 256 CA VAL A 13 4.536 1.830 1.787 1.00 0.00 C ATOM 257 C VAL A 13 5.646 2.852 2.003 1.00 0.00 C ATOM 258 O VAL A 13 6.422 3.144 1.094 1.00 0.00 O ATOM 259 CB VAL A 13 5.166 0.437 1.603 1.00 0.00 C ATOM 260 CG1 VAL A 13 5.820 -0.028 2.896 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.120 -0.563 1.137 1.00 0.00 C ATOM 0 H VAL A 13 4.167 2.105 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 13 3.885 1.815 2.661 1.00 0.00 H new ATOM 0 HB VAL A 13 5.938 0.505 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.260 -1.014 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.600 0.677 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.070 -0.081 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.583 -1.542 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.324 -0.630 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.702 -0.235 0.185 1.00 0.00 H new ATOM 271 N GLY A 14 5.714 3.396 3.215 1.00 0.00 N ATOM 272 CA GLY A 14 6.733 4.380 3.530 1.00 0.00 C ATOM 273 C GLY A 14 7.428 4.095 4.846 1.00 0.00 C ATOM 274 O GLY A 14 7.039 3.186 5.577 1.00 0.00 O ATOM 0 H GLY A 14 5.082 3.173 3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.472 4.401 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.278 5.370 3.570 1.00 0.00 H new ATOM 278 N ASN A 15 8.464 4.873 5.147 1.00 0.00 N ATOM 279 CA ASN A 15 9.217 4.698 6.383 1.00 0.00 C ATOM 280 C ASN A 15 9.931 3.349 6.398 1.00 0.00 C ATOM 281 O ASN A 15 9.894 2.625 7.395 1.00 0.00 O ATOM 282 CB ASN A 15 8.286 4.808 7.592 1.00 0.00 C ATOM 283 CG ASN A 15 9.003 5.316 8.829 1.00 0.00 C ATOM 284 OD1 ASN A 15 8.966 6.507 9.137 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.661 4.410 9.544 1.00 0.00 N ATOM 0 H ASN A 15 8.800 5.630 4.552 1.00 0.00 H new ATOM 0 HA ASN A 15 9.967 5.487 6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.461 5.479 7.352 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.851 3.831 7.803 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.163 4.691 10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.664 3.433 9.251 1.00 0.00 H new ATOM 292 N LEU A 16 10.580 3.017 5.288 1.00 0.00 N ATOM 293 CA LEU A 16 11.303 1.755 5.173 1.00 0.00 C ATOM 294 C LEU A 16 12.784 1.945 5.485 1.00 0.00 C ATOM 295 O LEU A 16 13.332 3.031 5.297 1.00 0.00 O ATOM 296 CB LEU A 16 11.136 1.175 3.767 1.00 0.00 C ATOM 297 CG LEU A 16 9.698 0.984 3.286 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.624 1.084 1.770 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.150 -0.354 3.761 1.00 0.00 C ATOM 0 H LEU A 16 10.621 3.604 4.455 1.00 0.00 H new ATOM 0 HA LEU A 16 10.885 1.058 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.650 1.829 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.641 0.210 3.732 1.00 0.00 H new ATOM 0 HG LEU A 16 9.084 1.778 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.592 0.945 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.975 2.066 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.251 0.312 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.125 -0.473 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.766 -1.161 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.166 -0.388 4.850 1.00 0.00 H new ATOM 311 N SER A 17 13.425 0.882 5.959 1.00 0.00 N ATOM 312 CA SER A 17 14.842 0.933 6.299 1.00 0.00 C ATOM 313 C SER A 17 15.702 0.962 5.038 1.00 0.00 C ATOM 314 O SER A 17 15.222 0.679 3.940 1.00 0.00 O ATOM 315 CB SER A 17 15.225 -0.270 7.163 1.00 0.00 C ATOM 316 OG SER A 17 16.632 -0.379 7.290 1.00 0.00 O ATOM 0 H SER A 17 12.986 -0.025 6.116 1.00 0.00 H new ATOM 0 HA SER A 17 15.022 1.848 6.863 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.774 -0.171 8.150 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.825 -1.182 6.720 1.00 0.00 H new ATOM 0 HG SER A 17 16.851 -1.154 7.848 1.00 0.00 H new ATOM 322 N ARG A 18 16.975 1.305 5.206 1.00 0.00 N ATOM 323 CA ARG A 18 17.902 1.372 4.082 1.00 0.00 C ATOM 324 C ARG A 18 18.399 -0.020 3.704 1.00 0.00 C ATOM 325 O ARG A 18 19.347 -0.164 2.931 1.00 0.00 O ATOM 326 CB ARG A 18 19.089 2.273 4.427 1.00 0.00 C ATOM 327 CG ARG A 18 18.837 3.745 4.146 1.00 0.00 C ATOM 328 CD ARG A 18 20.134 4.541 4.142 1.00 0.00 C ATOM 329 NE ARG A 18 19.922 5.930 3.744 1.00 0.00 N ATOM 330 CZ ARG A 18 19.371 6.846 4.534 1.00 0.00 C ATOM 331 NH1 ARG A 18 18.980 6.520 5.758 1.00 0.00 N ATOM 332 NH2 ARG A 18 19.212 8.089 4.100 1.00 0.00 N ATOM 0 H ARG A 18 17.388 1.541 6.108 1.00 0.00 H new ATOM 0 HA ARG A 18 17.370 1.793 3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.333 2.150 5.482 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.960 1.947 3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.340 3.853 3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.162 4.150 4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.580 4.513 5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.845 4.073 3.461 1.00 0.00 H new ATOM 0 HE ARG A 18 20.213 6.213 2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.102 5.565 6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.557 7.224 6.363 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.513 8.343 3.159 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.789 8.791 4.707 1.00 0.00 H new ATOM 346 N ASP A 19 17.755 -1.043 4.255 1.00 0.00 N ATOM 347 CA ASP A 19 18.131 -2.424 3.976 1.00 0.00 C ATOM 348 C ASP A 19 17.000 -3.162 3.265 1.00 0.00 C ATOM 349 O ASP A 19 17.233 -4.145 2.562 1.00 0.00 O ATOM 350 CB ASP A 19 18.495 -3.149 5.272 1.00 0.00 C ATOM 351 CG ASP A 19 19.855 -2.741 5.801 1.00 0.00 C ATOM 352 OD1 ASP A 19 20.769 -2.518 4.980 1.00 0.00 O ATOM 353 OD2 ASP A 19 20.007 -2.645 7.038 1.00 0.00 O ATOM 0 H ASP A 19 16.970 -0.942 4.898 1.00 0.00 H new ATOM 0 HA ASP A 19 19.002 -2.412 3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.737 -2.940 6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.484 -4.225 5.098 1.00 0.00 H new ATOM 358 N VAL A 20 15.776 -2.682 3.455 1.00 0.00 N ATOM 359 CA VAL A 20 14.608 -3.296 2.833 1.00 0.00 C ATOM 360 C VAL A 20 14.800 -3.438 1.327 1.00 0.00 C ATOM 361 O VAL A 20 15.347 -2.551 0.672 1.00 0.00 O ATOM 362 CB VAL A 20 13.333 -2.475 3.102 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.142 -3.088 2.381 1.00 0.00 C ATOM 364 CG2 VAL A 20 13.069 -2.377 4.597 1.00 0.00 C ATOM 0 H VAL A 20 15.566 -1.869 4.035 1.00 0.00 H new ATOM 0 HA VAL A 20 14.495 -4.285 3.277 1.00 0.00 H new ATOM 0 HB VAL A 20 13.482 -1.467 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.250 -2.495 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.334 -3.102 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.988 -4.107 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.165 -1.794 4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.940 -3.377 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.913 -1.890 5.084 1.00 0.00 H new ATOM 374 N THR A 21 14.344 -4.562 0.783 1.00 0.00 N ATOM 375 CA THR A 21 14.464 -4.822 -0.647 1.00 0.00 C ATOM 376 C THR A 21 13.111 -5.161 -1.260 1.00 0.00 C ATOM 377 O THR A 21 12.166 -5.502 -0.550 1.00 0.00 O ATOM 378 CB THR A 21 15.446 -5.976 -0.926 1.00 0.00 C ATOM 379 OG1 THR A 21 15.199 -7.058 -0.023 1.00 0.00 O ATOM 380 CG2 THR A 21 16.886 -5.507 -0.782 1.00 0.00 C ATOM 0 H THR A 21 13.888 -5.307 1.311 1.00 0.00 H new ATOM 0 HA THR A 21 14.847 -3.909 -1.104 1.00 0.00 H new ATOM 0 HB THR A 21 15.292 -6.316 -1.950 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.826 -7.788 -0.208 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.561 -6.338 -0.984 1.00 0.00 H new ATOM 0 HG22 THR A 21 17.079 -4.702 -1.491 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.051 -5.144 0.232 1.00 0.00 H new ATOM 388 N GLU A 22 13.026 -5.067 -2.584 1.00 0.00 N ATOM 389 CA GLU A 22 11.786 -5.365 -3.291 1.00 0.00 C ATOM 390 C GLU A 22 11.332 -6.795 -3.015 1.00 0.00 C ATOM 391 O GLU A 22 10.152 -7.048 -2.771 1.00 0.00 O ATOM 392 CB GLU A 22 11.970 -5.157 -4.796 1.00 0.00 C ATOM 393 CG GLU A 22 10.740 -5.510 -5.614 1.00 0.00 C ATOM 394 CD GLU A 22 10.727 -6.961 -6.054 1.00 0.00 C ATOM 395 OE1 GLU A 22 11.482 -7.765 -5.468 1.00 0.00 O ATOM 396 OE2 GLU A 22 9.961 -7.293 -6.983 1.00 0.00 O ATOM 0 H GLU A 22 13.800 -4.787 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 22 11.017 -4.683 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.232 -4.115 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.809 -5.762 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.846 -5.305 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.697 -4.867 -6.493 1.00 0.00 H new ATOM 403 N VAL A 23 12.278 -7.728 -3.059 1.00 0.00 N ATOM 404 CA VAL A 23 11.977 -9.134 -2.813 1.00 0.00 C ATOM 405 C VAL A 23 11.532 -9.357 -1.372 1.00 0.00 C ATOM 406 O VAL A 23 10.641 -10.164 -1.104 1.00 0.00 O ATOM 407 CB VAL A 23 13.195 -10.029 -3.108 1.00 0.00 C ATOM 408 CG1 VAL A 23 12.895 -11.476 -2.748 1.00 0.00 C ATOM 409 CG2 VAL A 23 13.604 -9.907 -4.568 1.00 0.00 C ATOM 0 H VAL A 23 13.259 -7.536 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 23 11.165 -9.406 -3.487 1.00 0.00 H new ATOM 0 HB VAL A 23 14.029 -9.693 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.767 -12.093 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.655 -11.545 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.047 -11.829 -3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.466 -10.546 -4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.775 -10.216 -5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.864 -8.872 -4.788 1.00 0.00 H new ATOM 419 N LEU A 24 12.159 -8.638 -0.448 1.00 0.00 N ATOM 420 CA LEU A 24 11.828 -8.757 0.968 1.00 0.00 C ATOM 421 C LEU A 24 10.375 -8.368 1.222 1.00 0.00 C ATOM 422 O LEU A 24 9.626 -9.111 1.856 1.00 0.00 O ATOM 423 CB LEU A 24 12.758 -7.876 1.805 1.00 0.00 C ATOM 424 CG LEU A 24 12.764 -8.146 3.310 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.845 -7.326 3.995 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.399 -7.843 3.912 1.00 0.00 C ATOM 0 H LEU A 24 12.899 -7.967 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 24 11.963 -9.798 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.774 -7.997 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.481 -6.834 1.644 1.00 0.00 H new ATOM 0 HG LEU A 24 12.983 -9.202 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.834 -7.531 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.819 -7.592 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.658 -6.265 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.422 -8.041 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.151 -6.795 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.646 -8.475 3.442 1.00 0.00 H new ATOM 438 N ILE A 25 9.985 -7.201 0.723 1.00 0.00 N ATOM 439 CA ILE A 25 8.621 -6.715 0.893 1.00 0.00 C ATOM 440 C ILE A 25 7.611 -7.700 0.315 1.00 0.00 C ATOM 441 O ILE A 25 6.619 -8.042 0.962 1.00 0.00 O ATOM 442 CB ILE A 25 8.423 -5.343 0.222 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.421 -4.328 0.785 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.995 -4.857 0.419 1.00 0.00 C ATOM 445 CD1 ILE A 25 9.066 -3.839 2.171 1.00 0.00 C ATOM 0 H ILE A 25 10.594 -6.574 0.197 1.00 0.00 H new ATOM 0 HA ILE A 25 8.455 -6.613 1.965 1.00 0.00 H new ATOM 0 HB ILE A 25 8.604 -5.448 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.412 -4.781 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.478 -3.474 0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.872 -3.886 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.303 -5.572 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.786 -4.764 1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.816 -3.123 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.089 -3.357 2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.037 -4.684 2.859 1.00 0.00 H new ATOM 457 N LEU A 26 7.869 -8.157 -0.906 1.00 0.00 N ATOM 458 CA LEU A 26 6.984 -9.106 -1.570 1.00 0.00 C ATOM 459 C LEU A 26 6.862 -10.396 -0.764 1.00 0.00 C ATOM 460 O LEU A 26 5.824 -11.056 -0.787 1.00 0.00 O ATOM 461 CB LEU A 26 7.500 -9.417 -2.976 1.00 0.00 C ATOM 462 CG LEU A 26 7.189 -8.376 -4.051 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.883 -8.733 -5.357 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.686 -8.256 -4.259 1.00 0.00 C ATOM 0 H LEU A 26 8.684 -7.885 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 26 5.996 -8.652 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.581 -9.545 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.081 -10.372 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 26 7.567 -7.411 -3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.650 -7.981 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.961 -8.766 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.536 -9.708 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.483 -7.510 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.284 -9.219 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.213 -7.952 -3.325 1.00 0.00 H new ATOM 476 N GLN A 27 7.929 -10.744 -0.052 1.00 0.00 N ATOM 477 CA GLN A 27 7.940 -11.954 0.762 1.00 0.00 C ATOM 478 C GLN A 27 6.997 -11.817 1.953 1.00 0.00 C ATOM 479 O GLN A 27 6.203 -12.715 2.236 1.00 0.00 O ATOM 480 CB GLN A 27 9.358 -12.251 1.252 1.00 0.00 C ATOM 481 CG GLN A 27 10.276 -12.790 0.167 1.00 0.00 C ATOM 482 CD GLN A 27 10.140 -14.288 -0.022 1.00 0.00 C ATOM 483 OE1 GLN A 27 9.301 -14.754 -0.793 1.00 0.00 O ATOM 484 NE2 GLN A 27 10.968 -15.051 0.682 1.00 0.00 N ATOM 0 H GLN A 27 8.795 -10.207 -0.022 1.00 0.00 H new ATOM 0 HA GLN A 27 7.596 -12.782 0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.790 -11.338 1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.308 -12.974 2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.054 -12.287 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.309 -12.552 0.419 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.648 -14.622 1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.924 -16.066 0.595 1.00 0.00 H new ATOM 493 N LEU A 28 7.089 -10.688 2.648 1.00 0.00 N ATOM 494 CA LEU A 28 6.245 -10.433 3.810 1.00 0.00 C ATOM 495 C LEU A 28 4.785 -10.271 3.397 1.00 0.00 C ATOM 496 O LEU A 28 3.889 -10.859 4.003 1.00 0.00 O ATOM 497 CB LEU A 28 6.720 -9.180 4.545 1.00 0.00 C ATOM 498 CG LEU A 28 8.211 -9.122 4.879 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.519 -7.906 5.740 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.652 -10.399 5.579 1.00 0.00 C ATOM 0 H LEU A 28 7.740 -9.935 2.427 1.00 0.00 H new ATOM 0 HA LEU A 28 6.322 -11.290 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.470 -8.310 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.156 -9.092 5.474 1.00 0.00 H new ATOM 0 HG LEU A 28 8.768 -9.032 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.585 -7.882 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.242 -7.000 5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.951 -7.964 6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.716 -10.339 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.087 -10.521 6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.469 -11.253 4.927 1.00 0.00 H new ATOM 512 N PHE A 29 4.554 -9.473 2.359 1.00 0.00 N ATOM 513 CA PHE A 29 3.204 -9.235 1.863 1.00 0.00 C ATOM 514 C PHE A 29 2.619 -10.503 1.250 1.00 0.00 C ATOM 515 O PHE A 29 1.425 -10.777 1.384 1.00 0.00 O ATOM 516 CB PHE A 29 3.209 -8.109 0.828 1.00 0.00 C ATOM 517 CG PHE A 29 3.202 -6.735 1.435 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.319 -6.252 2.099 1.00 0.00 C ATOM 519 CD2 PHE A 29 2.081 -5.928 1.343 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.316 -4.988 2.659 1.00 0.00 C ATOM 521 CE2 PHE A 29 2.073 -4.663 1.901 1.00 0.00 C ATOM 522 CZ PHE A 29 3.191 -4.193 2.561 1.00 0.00 C ATOM 0 H PHE A 29 5.285 -8.980 1.845 1.00 0.00 H new ATOM 0 HA PHE A 29 2.580 -8.940 2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.090 -8.213 0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.338 -8.216 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.201 -6.870 2.180 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.203 -6.291 0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.193 -4.623 3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.193 -4.043 1.821 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.186 -3.206 3.000 1.00 0.00 H new ATOM 532 N SER A 30 3.466 -11.273 0.576 1.00 0.00 N ATOM 533 CA SER A 30 3.033 -12.510 -0.063 1.00 0.00 C ATOM 534 C SER A 30 2.421 -13.464 0.958 1.00 0.00 C ATOM 535 O SER A 30 1.479 -14.195 0.653 1.00 0.00 O ATOM 536 CB SER A 30 4.212 -13.186 -0.765 1.00 0.00 C ATOM 537 OG SER A 30 3.950 -14.560 -0.995 1.00 0.00 O ATOM 0 H SER A 30 4.457 -11.062 0.458 1.00 0.00 H new ATOM 0 HA SER A 30 2.273 -12.260 -0.803 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.409 -12.687 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.110 -13.081 -0.157 1.00 0.00 H new ATOM 0 HG SER A 30 4.718 -14.968 -1.446 1.00 0.00 H new ATOM 543 N GLN A 31 2.964 -13.449 2.172 1.00 0.00 N ATOM 544 CA GLN A 31 2.471 -14.313 3.239 1.00 0.00 C ATOM 545 C GLN A 31 0.981 -14.093 3.473 1.00 0.00 C ATOM 546 O GLN A 31 0.264 -15.009 3.877 1.00 0.00 O ATOM 547 CB GLN A 31 3.247 -14.054 4.531 1.00 0.00 C ATOM 548 CG GLN A 31 4.711 -14.454 4.453 1.00 0.00 C ATOM 549 CD GLN A 31 5.303 -14.769 5.813 1.00 0.00 C ATOM 550 OE1 GLN A 31 4.773 -15.594 6.558 1.00 0.00 O ATOM 551 NE2 GLN A 31 6.408 -14.112 6.144 1.00 0.00 N ATOM 0 H GLN A 31 3.744 -12.849 2.441 1.00 0.00 H new ATOM 0 HA GLN A 31 2.622 -15.348 2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.181 -12.994 4.778 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.773 -14.601 5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.812 -15.326 3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.280 -13.647 3.991 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.813 -13.437 5.496 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.852 -14.282 7.047 1.00 0.00 H new ATOM 560 N ILE A 32 0.520 -12.873 3.219 1.00 0.00 N ATOM 561 CA ILE A 32 -0.886 -12.533 3.401 1.00 0.00 C ATOM 562 C ILE A 32 -1.692 -12.836 2.144 1.00 0.00 C ATOM 563 O ILE A 32 -2.709 -13.528 2.197 1.00 0.00 O ATOM 564 CB ILE A 32 -1.063 -11.047 3.765 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.278 -10.714 5.035 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.538 -10.719 3.947 1.00 0.00 C ATOM 567 CD1 ILE A 32 -0.121 -9.228 5.276 1.00 0.00 C ATOM 0 H ILE A 32 1.100 -12.103 2.886 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.255 -13.147 4.223 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.673 -10.439 2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.782 -11.162 5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.710 -11.170 4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.647 -9.665 4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.073 -10.924 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.951 -11.333 4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.445 -9.066 6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.410 -8.777 4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.105 -8.769 5.371 1.00 0.00 H new ATOM 579 N GLY A 33 -1.231 -12.314 1.010 1.00 0.00 N ATOM 580 CA GLY A 33 -1.921 -12.542 -0.246 1.00 0.00 C ATOM 581 C GLY A 33 -1.006 -12.393 -1.445 1.00 0.00 C ATOM 582 O GLY A 33 0.157 -12.008 -1.322 1.00 0.00 O ATOM 0 H GLY A 33 -0.392 -11.738 0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.352 -13.543 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.749 -11.839 -0.335 1.00 0.00 H new ATOM 586 N PRO A 34 -1.533 -12.704 -2.638 1.00 0.00 N ATOM 587 CA PRO A 34 -0.773 -12.611 -3.888 1.00 0.00 C ATOM 588 C PRO A 34 -0.479 -11.168 -4.283 1.00 0.00 C ATOM 589 O PRO A 34 -1.387 -10.338 -4.353 1.00 0.00 O ATOM 590 CB PRO A 34 -1.695 -13.271 -4.915 1.00 0.00 C ATOM 591 CG PRO A 34 -3.066 -13.105 -4.355 1.00 0.00 C ATOM 592 CD PRO A 34 -2.912 -13.169 -2.861 1.00 0.00 C ATOM 0 HA PRO A 34 0.204 -13.086 -3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.606 -12.794 -5.891 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.447 -14.324 -5.050 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.501 -12.154 -4.662 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.732 -13.890 -4.713 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.637 -12.532 -2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.060 -14.181 -2.485 1.00 0.00 H new ATOM 600 N CYS A 35 0.790 -10.876 -4.542 1.00 0.00 N ATOM 601 CA CYS A 35 1.201 -9.532 -4.930 1.00 0.00 C ATOM 602 C CYS A 35 1.411 -9.441 -6.438 1.00 0.00 C ATOM 603 O CYS A 35 2.278 -10.113 -6.997 1.00 0.00 O ATOM 604 CB CYS A 35 2.486 -9.138 -4.200 1.00 0.00 C ATOM 605 SG CYS A 35 2.351 -9.172 -2.397 1.00 0.00 S ATOM 0 H CYS A 35 1.552 -11.552 -4.490 1.00 0.00 H new ATOM 0 HA CYS A 35 0.406 -8.841 -4.650 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.286 -9.812 -4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.776 -8.135 -4.513 1.00 0.00 H new ATOM 0 HG CYS A 35 1.102 -9.067 -2.053 1.00 0.00 H new ATOM 611 N LYS A 36 0.610 -8.608 -7.093 1.00 0.00 N ATOM 612 CA LYS A 36 0.706 -8.429 -8.537 1.00 0.00 C ATOM 613 C LYS A 36 2.096 -7.942 -8.933 1.00 0.00 C ATOM 614 O LYS A 36 2.727 -8.500 -9.830 1.00 0.00 O ATOM 615 CB LYS A 36 -0.352 -7.433 -9.020 1.00 0.00 C ATOM 616 CG LYS A 36 -0.771 -7.645 -10.464 1.00 0.00 C ATOM 617 CD LYS A 36 -1.726 -8.819 -10.600 1.00 0.00 C ATOM 618 CE LYS A 36 -2.356 -8.868 -11.984 1.00 0.00 C ATOM 619 NZ LYS A 36 -3.607 -9.676 -11.996 1.00 0.00 N ATOM 0 H LYS A 36 -0.114 -8.045 -6.646 1.00 0.00 H new ATOM 0 HA LYS A 36 0.530 -9.395 -9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.231 -7.510 -8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.036 -6.421 -8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.248 -6.741 -10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.112 -7.820 -11.078 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.190 -9.749 -10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.509 -8.742 -9.845 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.575 -7.854 -12.319 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.644 -9.291 -12.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.739 -10.097 -12.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.539 -10.432 -11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.418 -9.064 -11.773 1.00 0.00 H new ATOM 633 N SER A 37 2.568 -6.899 -8.258 1.00 0.00 N ATOM 634 CA SER A 37 3.882 -6.336 -8.542 1.00 0.00 C ATOM 635 C SER A 37 4.285 -5.327 -7.469 1.00 0.00 C ATOM 636 O SER A 37 3.435 -4.658 -6.882 1.00 0.00 O ATOM 637 CB SER A 37 3.888 -5.665 -9.916 1.00 0.00 C ATOM 638 OG SER A 37 5.194 -5.250 -10.277 1.00 0.00 O ATOM 0 H SER A 37 2.060 -6.427 -7.510 1.00 0.00 H new ATOM 0 HA SER A 37 4.606 -7.151 -8.541 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.504 -6.358 -10.664 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.219 -4.804 -9.906 1.00 0.00 H new ATOM 0 HG SER A 37 5.170 -4.826 -11.160 1.00 0.00 H new ATOM 644 N CYS A 38 5.586 -5.226 -7.220 1.00 0.00 N ATOM 645 CA CYS A 38 6.102 -4.300 -6.218 1.00 0.00 C ATOM 646 C CYS A 38 7.204 -3.424 -6.804 1.00 0.00 C ATOM 647 O CYS A 38 8.135 -3.919 -7.440 1.00 0.00 O ATOM 648 CB CYS A 38 6.636 -5.070 -5.009 1.00 0.00 C ATOM 649 SG CYS A 38 7.364 -4.022 -3.729 1.00 0.00 S ATOM 0 H CYS A 38 6.302 -5.773 -7.698 1.00 0.00 H new ATOM 0 HA CYS A 38 5.283 -3.657 -5.898 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.822 -5.647 -4.571 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.386 -5.784 -5.349 1.00 0.00 H new ATOM 0 HG CYS A 38 6.671 -2.928 -3.618 1.00 0.00 H new ATOM 655 N LYS A 39 7.093 -2.117 -6.588 1.00 0.00 N ATOM 656 CA LYS A 39 8.078 -1.170 -7.094 1.00 0.00 C ATOM 657 C LYS A 39 8.632 -0.306 -5.966 1.00 0.00 C ATOM 658 O LYS A 39 7.896 0.447 -5.330 1.00 0.00 O ATOM 659 CB LYS A 39 7.454 -0.281 -8.173 1.00 0.00 C ATOM 660 CG LYS A 39 8.469 0.552 -8.937 1.00 0.00 C ATOM 661 CD LYS A 39 7.840 1.230 -10.141 1.00 0.00 C ATOM 662 CE LYS A 39 8.893 1.873 -11.032 1.00 0.00 C ATOM 663 NZ LYS A 39 8.350 2.213 -12.377 1.00 0.00 N ATOM 0 H LYS A 39 6.329 -1.690 -6.065 1.00 0.00 H new ATOM 0 HA LYS A 39 8.900 -1.738 -7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.907 -0.908 -8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.727 0.384 -7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.895 1.306 -8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.291 -0.085 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.272 0.499 -10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.134 1.989 -9.805 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.270 2.777 -10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.739 1.194 -11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.098 2.649 -12.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.013 1.347 -12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.559 2.881 -12.274 1.00 0.00 H new ATOM 677 N MET A 40 9.934 -0.420 -5.724 1.00 0.00 N ATOM 678 CA MET A 40 10.587 0.353 -4.675 1.00 0.00 C ATOM 679 C MET A 40 11.219 1.619 -5.244 1.00 0.00 C ATOM 680 O MET A 40 12.128 1.551 -6.071 1.00 0.00 O ATOM 681 CB MET A 40 11.653 -0.493 -3.975 1.00 0.00 C ATOM 682 CG MET A 40 12.428 0.265 -2.910 1.00 0.00 C ATOM 683 SD MET A 40 13.453 -0.818 -1.895 1.00 0.00 S ATOM 684 CE MET A 40 12.277 -1.318 -0.640 1.00 0.00 C ATOM 0 H MET A 40 10.557 -1.041 -6.241 1.00 0.00 H new ATOM 0 HA MET A 40 9.828 0.643 -3.948 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.175 -1.359 -3.517 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.352 -0.872 -4.721 1.00 0.00 H new ATOM 0 HG2 MET A 40 13.060 1.013 -3.389 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.728 0.802 -2.270 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.694 -1.123 0.348 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.353 -0.753 -0.762 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.067 -2.383 -0.741 1.00 0.00 H new ATOM 694 N ILE A 41 10.730 2.772 -4.797 1.00 0.00 N ATOM 695 CA ILE A 41 11.249 4.051 -5.263 1.00 0.00 C ATOM 696 C ILE A 41 12.091 4.728 -4.186 1.00 0.00 C ATOM 697 O ILE A 41 11.624 4.958 -3.069 1.00 0.00 O ATOM 698 CB ILE A 41 10.110 5.001 -5.680 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.074 4.253 -6.520 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.667 6.188 -6.451 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.049 5.159 -7.165 1.00 0.00 C ATOM 0 H ILE A 41 9.976 2.846 -4.114 1.00 0.00 H new ATOM 0 HA ILE A 41 11.874 3.841 -6.131 1.00 0.00 H new ATOM 0 HB ILE A 41 9.620 5.374 -4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.588 3.688 -7.298 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.560 3.529 -5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.851 6.850 -6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.371 6.732 -5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.179 5.833 -7.345 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.347 4.560 -7.745 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.508 5.705 -6.392 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.552 5.867 -7.824 1.00 0.00 H new ATOM 810 N PRO A 49 13.084 5.692 2.181 1.00 0.00 N ATOM 811 CA PRO A 49 12.540 5.308 0.875 1.00 0.00 C ATOM 812 C PRO A 49 11.088 4.849 0.963 1.00 0.00 C ATOM 813 O PRO A 49 10.496 4.838 2.043 1.00 0.00 O ATOM 814 CB PRO A 49 13.441 4.149 0.441 1.00 0.00 C ATOM 815 CG PRO A 49 13.963 3.579 1.714 1.00 0.00 C ATOM 816 CD PRO A 49 14.095 4.737 2.665 1.00 0.00 C ATOM 0 HA PRO A 49 12.532 6.144 0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.883 3.405 -0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.252 4.496 -0.199 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.284 2.824 2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.925 3.091 1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.903 4.435 3.695 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.097 5.165 2.640 1.00 0.00 H new ATOM 824 N TYR A 50 10.521 4.472 -0.176 1.00 0.00 N ATOM 825 CA TYR A 50 9.138 4.013 -0.227 1.00 0.00 C ATOM 826 C TYR A 50 8.911 3.095 -1.424 1.00 0.00 C ATOM 827 O TYR A 50 9.556 3.241 -2.463 1.00 0.00 O ATOM 828 CB TYR A 50 8.185 5.208 -0.298 1.00 0.00 C ATOM 829 CG TYR A 50 8.157 5.880 -1.652 1.00 0.00 C ATOM 830 CD1 TYR A 50 9.121 6.817 -2.004 1.00 0.00 C ATOM 831 CD2 TYR A 50 7.168 5.579 -2.579 1.00 0.00 C ATOM 832 CE1 TYR A 50 9.099 7.435 -3.239 1.00 0.00 C ATOM 833 CE2 TYR A 50 7.138 6.190 -3.817 1.00 0.00 C ATOM 834 CZ TYR A 50 8.106 7.118 -4.143 1.00 0.00 C ATOM 835 OH TYR A 50 8.080 7.730 -5.375 1.00 0.00 O ATOM 0 H TYR A 50 10.998 4.475 -1.078 1.00 0.00 H new ATOM 0 HA TYR A 50 8.936 3.448 0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.178 4.875 -0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.476 5.940 0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.901 7.066 -1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.408 4.854 -2.327 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.855 8.162 -3.496 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.362 5.943 -4.526 1.00 0.00 H new ATOM 0 HH TYR A 50 8.830 8.356 -5.445 1.00 0.00 H new ATOM 845 N CYS A 51 7.990 2.151 -1.271 1.00 0.00 N ATOM 846 CA CYS A 51 7.677 1.208 -2.339 1.00 0.00 C ATOM 847 C CYS A 51 6.173 0.970 -2.431 1.00 0.00 C ATOM 848 O CYS A 51 5.441 1.176 -1.463 1.00 0.00 O ATOM 849 CB CYS A 51 8.403 -0.117 -2.106 1.00 0.00 C ATOM 850 SG CYS A 51 7.577 -1.214 -0.928 1.00 0.00 S ATOM 0 H CYS A 51 7.447 2.018 -0.418 1.00 0.00 H new ATOM 0 HA CYS A 51 8.016 1.638 -3.281 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.505 -0.636 -3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.411 0.091 -1.747 1.00 0.00 H new ATOM 0 HG CYS A 51 8.372 -1.454 0.072 1.00 0.00 H new ATOM 856 N PHE A 52 5.719 0.537 -3.602 1.00 0.00 N ATOM 857 CA PHE A 52 4.301 0.274 -3.821 1.00 0.00 C ATOM 858 C PHE A 52 4.036 -1.226 -3.926 1.00 0.00 C ATOM 859 O PHE A 52 4.859 -1.978 -4.449 1.00 0.00 O ATOM 860 CB PHE A 52 3.820 0.977 -5.092 1.00 0.00 C ATOM 861 CG PHE A 52 3.868 2.475 -5.002 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.001 3.160 -4.163 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.778 3.199 -5.753 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.042 4.539 -4.079 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.825 4.579 -5.673 1.00 0.00 C ATOM 866 CZ PHE A 52 3.956 5.250 -4.834 1.00 0.00 C ATOM 0 H PHE A 52 6.311 0.361 -4.413 1.00 0.00 H new ATOM 0 HA PHE A 52 3.749 0.665 -2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.433 0.651 -5.932 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.797 0.666 -5.305 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.286 2.610 -3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.460 2.680 -6.410 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.360 5.061 -3.424 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.540 5.131 -6.265 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.991 6.327 -4.768 1.00 0.00 H new ATOM 876 N VAL A 53 2.883 -1.654 -3.423 1.00 0.00 N ATOM 877 CA VAL A 53 2.508 -3.062 -3.460 1.00 0.00 C ATOM 878 C VAL A 53 1.088 -3.240 -3.981 1.00 0.00 C ATOM 879 O VAL A 53 0.127 -2.787 -3.361 1.00 0.00 O ATOM 880 CB VAL A 53 2.615 -3.708 -2.065 1.00 0.00 C ATOM 881 CG1 VAL A 53 2.048 -5.119 -2.084 1.00 0.00 C ATOM 882 CG2 VAL A 53 4.060 -3.712 -1.589 1.00 0.00 C ATOM 0 H VAL A 53 2.192 -1.045 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 53 3.205 -3.557 -4.137 1.00 0.00 H new ATOM 0 HB VAL A 53 2.027 -3.116 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.133 -5.559 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.999 -5.086 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.606 -5.726 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.117 -4.172 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.672 -4.280 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.428 -2.687 -1.533 1.00 0.00 H new ATOM 892 N GLU A 54 0.962 -3.902 -5.127 1.00 0.00 N ATOM 893 CA GLU A 54 -0.342 -4.139 -5.734 1.00 0.00 C ATOM 894 C GLU A 54 -0.776 -5.590 -5.542 1.00 0.00 C ATOM 895 O GLU A 54 0.012 -6.515 -5.735 1.00 0.00 O ATOM 896 CB GLU A 54 -0.306 -3.799 -7.226 1.00 0.00 C ATOM 897 CG GLU A 54 -1.673 -3.818 -7.888 1.00 0.00 C ATOM 898 CD GLU A 54 -1.588 -3.925 -9.398 1.00 0.00 C ATOM 899 OE1 GLU A 54 -0.628 -3.377 -9.980 1.00 0.00 O ATOM 900 OE2 GLU A 54 -2.482 -4.556 -9.999 1.00 0.00 O ATOM 0 H GLU A 54 1.748 -4.284 -5.654 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.067 -3.492 -5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.137 -2.811 -7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.345 -4.509 -7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.249 -4.658 -7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.214 -2.910 -7.622 1.00 0.00 H new ATOM 907 N PHE A 55 -2.036 -5.778 -5.162 1.00 0.00 N ATOM 908 CA PHE A 55 -2.575 -7.116 -4.942 1.00 0.00 C ATOM 909 C PHE A 55 -3.554 -7.496 -6.050 1.00 0.00 C ATOM 910 O PHE A 55 -4.050 -6.635 -6.776 1.00 0.00 O ATOM 911 CB PHE A 55 -3.273 -7.190 -3.582 1.00 0.00 C ATOM 912 CG PHE A 55 -2.327 -7.409 -2.435 1.00 0.00 C ATOM 913 CD1 PHE A 55 -1.986 -8.691 -2.037 1.00 0.00 C ATOM 914 CD2 PHE A 55 -1.781 -6.332 -1.755 1.00 0.00 C ATOM 915 CE1 PHE A 55 -1.116 -8.896 -0.982 1.00 0.00 C ATOM 916 CE2 PHE A 55 -0.911 -6.531 -0.700 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.579 -7.814 -0.312 1.00 0.00 C ATOM 0 H PHE A 55 -2.702 -5.022 -5.000 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.745 -7.822 -4.956 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.826 -6.266 -3.415 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.003 -7.999 -3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.404 -9.540 -2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.038 -5.326 -2.053 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.857 -9.901 -0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.491 -5.683 -0.179 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.099 -7.971 0.514 1.00 0.00 H new ATOM 927 N TYR A 56 -3.824 -8.791 -6.172 1.00 0.00 N ATOM 928 CA TYR A 56 -4.740 -9.286 -7.193 1.00 0.00 C ATOM 929 C TYR A 56 -6.181 -8.908 -6.861 1.00 0.00 C ATOM 930 O TYR A 56 -6.940 -8.491 -7.735 1.00 0.00 O ATOM 931 CB TYR A 56 -4.617 -10.805 -7.324 1.00 0.00 C ATOM 932 CG TYR A 56 -3.401 -11.250 -8.104 1.00 0.00 C ATOM 933 CD1 TYR A 56 -2.125 -11.135 -7.567 1.00 0.00 C ATOM 934 CD2 TYR A 56 -3.528 -11.785 -9.381 1.00 0.00 C ATOM 935 CE1 TYR A 56 -1.012 -11.540 -8.278 1.00 0.00 C ATOM 936 CE2 TYR A 56 -2.421 -12.192 -10.098 1.00 0.00 C ATOM 937 CZ TYR A 56 -1.164 -12.067 -9.542 1.00 0.00 C ATOM 938 OH TYR A 56 -0.058 -12.472 -10.253 1.00 0.00 O ATOM 0 H TYR A 56 -3.422 -9.516 -5.578 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.471 -8.823 -8.142 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.580 -11.245 -6.328 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.512 -11.193 -7.811 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.001 -10.722 -6.577 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.510 -11.884 -9.820 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.027 -11.444 -7.845 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.538 -12.606 -11.089 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.339 -12.821 -11.125 1.00 0.00 H new ATOM 948 N GLU A 57 -6.548 -9.056 -5.593 1.00 0.00 N ATOM 949 CA GLU A 57 -7.897 -8.730 -5.145 1.00 0.00 C ATOM 950 C GLU A 57 -7.877 -7.565 -4.160 1.00 0.00 C ATOM 951 O GLU A 57 -6.832 -7.226 -3.603 1.00 0.00 O ATOM 952 CB GLU A 57 -8.552 -9.951 -4.495 1.00 0.00 C ATOM 953 CG GLU A 57 -8.585 -11.175 -5.396 1.00 0.00 C ATOM 954 CD GLU A 57 -9.728 -11.136 -6.391 1.00 0.00 C ATOM 955 OE1 GLU A 57 -9.773 -10.189 -7.205 1.00 0.00 O ATOM 956 OE2 GLU A 57 -10.578 -12.050 -6.356 1.00 0.00 O ATOM 0 H GLU A 57 -5.931 -9.399 -4.857 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.480 -8.435 -6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.013 -10.198 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.571 -9.695 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.641 -11.250 -5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.673 -12.071 -4.782 1.00 0.00 H new ATOM 963 N HIS A 58 -9.039 -6.956 -3.950 1.00 0.00 N ATOM 964 CA HIS A 58 -9.157 -5.828 -3.032 1.00 0.00 C ATOM 965 C HIS A 58 -9.074 -6.296 -1.582 1.00 0.00 C ATOM 966 O HIS A 58 -8.490 -5.623 -0.734 1.00 0.00 O ATOM 967 CB HIS A 58 -10.473 -5.087 -3.266 1.00 0.00 C ATOM 968 CG HIS A 58 -10.840 -4.152 -2.155 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.158 -2.981 -1.902 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.825 -4.220 -1.230 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.707 -2.370 -0.867 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.721 -3.101 -0.441 1.00 0.00 N ATOM 0 H HIS A 58 -9.913 -7.224 -4.403 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.327 -5.148 -3.224 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.402 -4.523 -4.196 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.273 -5.816 -3.395 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.355 -2.640 -2.431 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.557 -5.008 -1.131 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.382 -1.432 -0.442 1.00 0.00 H new ATOM 980 N ARG A 59 -9.662 -7.456 -1.305 1.00 0.00 N ATOM 981 CA ARG A 59 -9.657 -8.013 0.041 1.00 0.00 C ATOM 982 C ARG A 59 -8.229 -8.241 0.529 1.00 0.00 C ATOM 983 O ARG A 59 -7.902 -7.953 1.680 1.00 0.00 O ATOM 984 CB ARG A 59 -10.435 -9.329 0.075 1.00 0.00 C ATOM 985 CG ARG A 59 -9.851 -10.406 -0.826 1.00 0.00 C ATOM 986 CD ARG A 59 -10.840 -11.539 -1.054 1.00 0.00 C ATOM 987 NE ARG A 59 -10.792 -12.531 0.017 1.00 0.00 N ATOM 988 CZ ARG A 59 -9.787 -13.382 0.185 1.00 0.00 C ATOM 989 NH1 ARG A 59 -8.751 -13.362 -0.643 1.00 0.00 N ATOM 990 NH2 ARG A 59 -9.815 -14.255 1.183 1.00 0.00 N ATOM 0 H ARG A 59 -10.148 -8.028 -1.996 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.140 -7.297 0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.461 -9.699 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.467 -9.139 -0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.571 -9.968 -1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.940 -10.802 -0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.848 -11.131 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.624 -12.023 -2.006 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.573 -12.572 0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.725 -12.692 -1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.980 -14.017 -0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.609 -14.273 1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.042 -14.908 1.311 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.384 -8.762 -0.353 1.00 0.00 N ATOM 1005 CA ASP A 60 -5.991 -9.028 -0.014 1.00 0.00 C ATOM 1006 C ASP A 60 -5.249 -7.732 0.297 1.00 0.00 C ATOM 1007 O ASP A 60 -4.529 -7.640 1.290 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.297 -9.767 -1.159 1.00 0.00 C ATOM 1009 CG ASP A 60 -6.129 -10.912 -1.700 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.936 -11.474 -0.929 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -5.976 -11.247 -2.894 1.00 0.00 O ATOM 0 H ASP A 60 -7.639 -9.009 -1.309 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.974 -9.657 0.876 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.085 -9.064 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.338 -10.152 -0.811 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.431 -6.733 -0.561 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.780 -5.442 -0.379 1.00 0.00 C ATOM 1018 C ALA A 61 -5.132 -4.837 0.977 1.00 0.00 C ATOM 1019 O ALA A 61 -4.273 -4.280 1.660 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.169 -4.491 -1.500 1.00 0.00 C ATOM 0 H ALA A 61 -6.024 -6.794 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.702 -5.599 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.675 -3.531 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.862 -4.912 -2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.250 -4.347 -1.497 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.400 -4.949 1.358 1.00 0.00 N ATOM 1027 CA ALA A 62 -6.864 -4.414 2.633 1.00 0.00 C ATOM 1028 C ALA A 62 -6.269 -5.188 3.803 1.00 0.00 C ATOM 1029 O ALA A 62 -5.857 -4.601 4.803 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.384 -4.446 2.695 1.00 0.00 C ATOM 0 H ALA A 62 -7.124 -5.405 0.803 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.529 -3.380 2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.718 -4.044 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.794 -3.843 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.731 -5.474 2.593 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.225 -6.510 3.672 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.678 -7.364 4.718 1.00 0.00 C ATOM 1038 C ALA A 63 -4.207 -7.050 4.971 1.00 0.00 C ATOM 1039 O ALA A 63 -3.783 -6.896 6.115 1.00 0.00 O ATOM 1040 CB ALA A 63 -5.852 -8.829 4.349 1.00 0.00 C ATOM 0 H ALA A 63 -6.562 -7.013 2.851 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.227 -7.166 5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.439 -9.455 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.912 -9.050 4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.330 -9.033 3.414 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.434 -6.958 3.893 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.011 -6.662 3.998 1.00 0.00 C ATOM 1048 C ALA A 64 -1.782 -5.238 4.493 1.00 0.00 C ATOM 1049 O ALA A 64 -0.820 -4.968 5.215 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.328 -6.871 2.654 1.00 0.00 C ATOM 0 H ALA A 64 -3.770 -7.084 2.938 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.575 -7.347 4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.265 -6.646 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.454 -7.907 2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.775 -6.210 1.912 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.670 -4.331 4.103 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.564 -2.933 4.507 1.00 0.00 C ATOM 1058 C LEU A 65 -2.600 -2.801 6.027 1.00 0.00 C ATOM 1059 O LEU A 65 -1.739 -2.158 6.624 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.697 -2.115 3.885 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.937 -0.732 4.492 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.931 0.272 3.950 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.359 -0.267 4.215 1.00 0.00 C ATOM 0 H LEU A 65 -3.472 -4.538 3.507 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.609 -2.548 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.489 -1.992 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.620 -2.690 3.965 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.803 -0.803 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.118 1.250 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.921 -0.053 4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.032 0.340 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.512 0.719 4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.521 -0.214 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.065 -0.973 4.654 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.603 -3.417 6.645 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.749 -3.373 8.094 1.00 0.00 C ATOM 1077 C ALA A 66 -2.630 -4.145 8.784 1.00 0.00 C ATOM 1078 O ALA A 66 -2.082 -3.698 9.790 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.106 -3.926 8.505 1.00 0.00 C ATOM 0 H ALA A 66 -4.326 -3.952 6.164 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.683 -2.332 8.409 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.201 -3.887 9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.896 -3.328 8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.194 -4.959 8.170 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.296 -5.309 8.234 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.240 -6.142 8.795 1.00 0.00 C ATOM 1087 C ALA A 67 0.122 -5.472 8.655 1.00 0.00 C ATOM 1088 O ALA A 67 0.999 -5.645 9.502 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.231 -7.507 8.122 1.00 0.00 C ATOM 0 H ALA A 67 -2.741 -5.695 7.402 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.442 -6.274 9.858 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.437 -8.119 8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.192 -7.997 8.280 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.057 -7.384 7.053 1.00 0.00 H new ATOM 1095 N MET A 68 0.293 -4.707 7.582 1.00 0.00 N ATOM 1096 CA MET A 68 1.550 -4.011 7.334 1.00 0.00 C ATOM 1097 C MET A 68 1.456 -2.550 7.759 1.00 0.00 C ATOM 1098 O MET A 68 2.457 -1.837 7.790 1.00 0.00 O ATOM 1099 CB MET A 68 1.921 -4.099 5.852 1.00 0.00 C ATOM 1100 CG MET A 68 2.080 -5.525 5.348 1.00 0.00 C ATOM 1101 SD MET A 68 3.430 -6.402 6.161 1.00 0.00 S ATOM 1102 CE MET A 68 4.826 -5.385 5.690 1.00 0.00 C ATOM 0 H MET A 68 -0.422 -4.553 6.871 1.00 0.00 H new ATOM 0 HA MET A 68 2.327 -4.494 7.927 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.153 -3.598 5.263 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.853 -3.558 5.686 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.149 -6.069 5.509 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.258 -5.509 4.273 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.603 -6.013 5.253 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.505 -4.643 4.959 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.221 -4.879 6.571 1.00 0.00 H new ATOM 1112 N ASN A 69 0.245 -2.111 8.088 1.00 0.00 N ATOM 1113 CA ASN A 69 0.020 -0.733 8.512 1.00 0.00 C ATOM 1114 C ASN A 69 0.802 -0.422 9.784 1.00 0.00 C ATOM 1115 O ASN A 69 0.378 -0.768 10.887 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.473 -0.486 8.743 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.727 0.693 9.662 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -1.876 0.531 10.873 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.780 1.889 9.087 1.00 0.00 N ATOM 0 H ASN A 69 -0.595 -2.689 8.069 1.00 0.00 H new ATOM 0 HA ASN A 69 0.372 -0.072 7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.962 -0.309 7.785 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.925 -1.381 9.171 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.950 2.720 9.653 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.651 1.976 8.079 1.00 0.00 H new ATOM 1126 N GLY A 70 1.945 0.236 9.624 1.00 0.00 N ATOM 1127 CA GLY A 70 2.769 0.584 10.768 1.00 0.00 C ATOM 1128 C GLY A 70 3.416 -0.628 11.406 1.00 0.00 C ATOM 1129 O GLY A 70 3.589 -0.678 12.624 1.00 0.00 O ATOM 0 H GLY A 70 2.316 0.535 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.544 1.283 10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.157 1.098 11.509 1.00 0.00 H new ATOM 1133 N ARG A 71 3.774 -1.609 10.584 1.00 0.00 N ATOM 1134 CA ARG A 71 4.404 -2.828 11.076 1.00 0.00 C ATOM 1135 C ARG A 71 5.910 -2.637 11.230 1.00 0.00 C ATOM 1136 O ARG A 71 6.530 -1.876 10.488 1.00 0.00 O ATOM 1137 CB ARG A 71 4.121 -3.993 10.126 1.00 0.00 C ATOM 1138 CG ARG A 71 4.394 -5.357 10.737 1.00 0.00 C ATOM 1139 CD ARG A 71 4.828 -6.363 9.683 1.00 0.00 C ATOM 1140 NE ARG A 71 3.693 -7.081 9.110 1.00 0.00 N ATOM 1141 CZ ARG A 71 3.800 -8.255 8.497 1.00 0.00 C ATOM 1142 NH1 ARG A 71 4.983 -8.839 8.376 1.00 0.00 N ATOM 1143 NH2 ARG A 71 2.719 -8.846 8.002 1.00 0.00 N ATOM 0 H ARG A 71 3.638 -1.583 9.573 1.00 0.00 H new ATOM 0 HA ARG A 71 3.982 -3.056 12.055 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.079 -3.948 9.810 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.731 -3.877 9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.170 -5.268 11.497 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.496 -5.718 11.239 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.368 -5.846 8.889 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.521 -7.077 10.127 1.00 0.00 H new ATOM 0 HE ARG A 71 2.768 -6.658 9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.816 -8.387 8.754 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.061 -9.740 7.905 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.807 -8.399 8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.801 -9.747 7.531 1.00 0.00 H new ATOM 1157 N LYS A 72 6.492 -3.335 12.200 1.00 0.00 N ATOM 1158 CA LYS A 72 7.926 -3.245 12.452 1.00 0.00 C ATOM 1159 C LYS A 72 8.703 -4.158 11.509 1.00 0.00 C ATOM 1160 O LYS A 72 8.519 -5.375 11.519 1.00 0.00 O ATOM 1161 CB LYS A 72 8.233 -3.614 13.906 1.00 0.00 C ATOM 1162 CG LYS A 72 8.102 -2.448 14.870 1.00 0.00 C ATOM 1163 CD LYS A 72 9.416 -1.701 15.022 1.00 0.00 C ATOM 1164 CE LYS A 72 9.669 -0.770 13.846 1.00 0.00 C ATOM 1165 NZ LYS A 72 10.466 0.423 14.244 1.00 0.00 N ATOM 0 H LYS A 72 5.993 -3.969 12.824 1.00 0.00 H new ATOM 0 HA LYS A 72 8.238 -2.216 12.271 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.559 -4.411 14.220 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.246 -4.011 13.965 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.333 -1.764 14.513 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.776 -2.814 15.843 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.403 -1.125 15.947 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.235 -2.416 15.104 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.195 -1.312 13.060 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.716 -0.447 13.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.939 1.288 14.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.644 0.396 15.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.373 0.420 13.735 1.00 0.00 H new ATOM 1179 N ILE A 73 9.572 -3.564 10.700 1.00 0.00 N ATOM 1180 CA ILE A 73 10.379 -4.324 9.754 1.00 0.00 C ATOM 1181 C ILE A 73 11.841 -3.897 9.811 1.00 0.00 C ATOM 1182 O ILE A 73 12.174 -2.742 9.544 1.00 0.00 O ATOM 1183 CB ILE A 73 9.863 -4.157 8.313 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.446 -4.721 8.185 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.801 -4.844 7.331 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.725 -4.267 6.937 1.00 0.00 C ATOM 0 H ILE A 73 9.736 -2.557 10.680 1.00 0.00 H new ATOM 0 HA ILE A 73 10.298 -5.372 10.041 1.00 0.00 H new ATOM 0 HB ILE A 73 9.834 -3.094 8.076 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.495 -5.810 8.190 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.865 -4.424 9.058 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.423 -4.717 6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.794 -4.401 7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.859 -5.907 7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.727 -4.706 6.913 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.644 -3.180 6.939 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.283 -4.587 6.057 1.00 0.00 H new ATOM 1198 N LEU A 74 12.713 -4.839 10.159 1.00 0.00 N ATOM 1199 CA LEU A 74 14.143 -4.562 10.249 1.00 0.00 C ATOM 1200 C LEU A 74 14.424 -3.489 11.296 1.00 0.00 C ATOM 1201 O LEU A 74 15.435 -2.790 11.227 1.00 0.00 O ATOM 1202 CB LEU A 74 14.683 -4.118 8.889 1.00 0.00 C ATOM 1203 CG LEU A 74 14.622 -5.158 7.771 1.00 0.00 C ATOM 1204 CD1 LEU A 74 15.091 -4.556 6.455 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.459 -6.377 8.130 1.00 0.00 C ATOM 0 H LEU A 74 12.455 -5.800 10.383 1.00 0.00 H new ATOM 0 HA LEU A 74 14.648 -5.480 10.551 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.126 -3.237 8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.721 -3.810 9.015 1.00 0.00 H new ATOM 0 HG LEU A 74 13.586 -5.475 7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.041 -5.311 5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.450 -3.715 6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.119 -4.210 6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.404 -7.107 7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.496 -6.076 8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.077 -6.823 9.049 1.00 0.00 H new ATOM 1217 N GLY A 75 13.523 -3.363 12.266 1.00 0.00 N ATOM 1218 CA GLY A 75 13.694 -2.375 13.314 1.00 0.00 C ATOM 1219 C GLY A 75 13.083 -1.035 12.953 1.00 0.00 C ATOM 1220 O GLY A 75 13.057 -0.115 13.771 1.00 0.00 O ATOM 0 H GLY A 75 12.678 -3.928 12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.238 -2.743 14.233 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.757 -2.244 13.515 1.00 0.00 H new ATOM 1224 N LYS A 76 12.590 -0.923 11.724 1.00 0.00 N ATOM 1225 CA LYS A 76 11.976 0.313 11.254 1.00 0.00 C ATOM 1226 C LYS A 76 10.496 0.105 10.953 1.00 0.00 C ATOM 1227 O LYS A 76 10.134 -0.727 10.122 1.00 0.00 O ATOM 1228 CB LYS A 76 12.696 0.821 10.003 1.00 0.00 C ATOM 1229 CG LYS A 76 12.393 2.272 9.673 1.00 0.00 C ATOM 1230 CD LYS A 76 13.482 2.887 8.811 1.00 0.00 C ATOM 1231 CE LYS A 76 13.610 4.383 9.057 1.00 0.00 C ATOM 1232 NZ LYS A 76 14.340 4.676 10.322 1.00 0.00 N ATOM 0 H LYS A 76 12.604 -1.675 11.035 1.00 0.00 H new ATOM 0 HA LYS A 76 12.066 1.058 12.045 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.771 0.706 10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.415 0.198 9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.437 2.336 9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.293 2.843 10.596 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.434 2.400 9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.259 2.708 7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.133 4.845 8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.617 4.831 9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.083 5.626 10.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.083 3.972 11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.365 4.635 10.149 1.00 0.00 H new ATOM 1246 N GLU A 77 9.645 0.868 11.633 1.00 0.00 N ATOM 1247 CA GLU A 77 8.204 0.767 11.437 1.00 0.00 C ATOM 1248 C GLU A 77 7.799 1.332 10.079 1.00 0.00 C ATOM 1249 O GLU A 77 8.028 2.507 9.789 1.00 0.00 O ATOM 1250 CB GLU A 77 7.462 1.507 12.551 1.00 0.00 C ATOM 1251 CG GLU A 77 6.101 0.912 12.875 1.00 0.00 C ATOM 1252 CD GLU A 77 5.191 1.893 13.590 1.00 0.00 C ATOM 1253 OE1 GLU A 77 5.378 2.098 14.807 1.00 0.00 O ATOM 1254 OE2 GLU A 77 4.292 2.456 12.929 1.00 0.00 O ATOM 0 H GLU A 77 9.929 1.562 12.324 1.00 0.00 H new ATOM 0 HA GLU A 77 7.932 -0.288 11.468 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.076 1.500 13.452 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.334 2.550 12.260 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.623 0.585 11.952 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.234 0.026 13.496 1.00 0.00 H new ATOM 1261 N VAL A 78 7.197 0.487 9.248 1.00 0.00 N ATOM 1262 CA VAL A 78 6.759 0.901 7.921 1.00 0.00 C ATOM 1263 C VAL A 78 5.300 1.342 7.936 1.00 0.00 C ATOM 1264 O VAL A 78 4.446 0.681 8.528 1.00 0.00 O ATOM 1265 CB VAL A 78 6.931 -0.234 6.893 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.251 -0.956 7.112 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.763 -1.205 6.973 1.00 0.00 C ATOM 0 H VAL A 78 7.002 -0.489 9.471 1.00 0.00 H new ATOM 0 HA VAL A 78 7.387 1.743 7.629 1.00 0.00 H new ATOM 0 HB VAL A 78 6.944 0.202 5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.355 -1.754 6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.074 -0.250 7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.271 -1.382 8.115 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.900 -2.000 6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.716 -1.637 7.973 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.834 -0.675 6.763 1.00 0.00 H new ATOM 1277 N LYS A 79 5.020 2.463 7.280 1.00 0.00 N ATOM 1278 CA LYS A 79 3.662 2.993 7.216 1.00 0.00 C ATOM 1279 C LYS A 79 2.998 2.626 5.893 1.00 0.00 C ATOM 1280 O LYS A 79 3.493 2.974 4.820 1.00 0.00 O ATOM 1281 CB LYS A 79 3.678 4.514 7.386 1.00 0.00 C ATOM 1282 CG LYS A 79 4.425 5.241 6.282 1.00 0.00 C ATOM 1283 CD LYS A 79 4.655 6.702 6.634 1.00 0.00 C ATOM 1284 CE LYS A 79 3.348 7.476 6.685 1.00 0.00 C ATOM 1285 NZ LYS A 79 2.797 7.726 5.324 1.00 0.00 N ATOM 0 H LYS A 79 5.715 3.022 6.785 1.00 0.00 H new ATOM 0 HA LYS A 79 3.086 2.549 8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.651 4.878 7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.135 4.759 8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.384 4.752 6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.859 5.174 5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.157 6.770 7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.318 7.155 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.620 6.920 7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.509 8.427 7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.952 8.328 5.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.514 8.204 4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.540 6.820 4.882 1.00 0.00 H new ATOM 1299 N VAL A 80 1.872 1.923 5.976 1.00 0.00 N ATOM 1300 CA VAL A 80 1.139 1.512 4.784 1.00 0.00 C ATOM 1301 C VAL A 80 -0.246 2.149 4.745 1.00 0.00 C ATOM 1302 O VAL A 80 -0.970 2.146 5.739 1.00 0.00 O ATOM 1303 CB VAL A 80 0.988 -0.019 4.719 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.394 -0.441 3.384 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.330 -0.696 4.952 1.00 0.00 C ATOM 0 H VAL A 80 1.448 1.627 6.855 1.00 0.00 H new ATOM 0 HA VAL A 80 1.717 1.850 3.924 1.00 0.00 H new ATOM 0 HB VAL A 80 0.306 -0.333 5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.295 -1.526 3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.588 0.016 3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.049 -0.116 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.205 -1.778 4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.036 -0.377 4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.711 -0.419 5.935 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.607 2.696 3.589 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.905 3.338 3.418 1.00 0.00 C ATOM 1317 C ASN A 81 -2.437 3.125 2.005 1.00 0.00 C ATOM 1318 O ASN A 81 -1.682 2.789 1.091 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.800 4.835 3.715 1.00 0.00 C ATOM 1320 CG ASN A 81 -3.102 5.569 3.457 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -4.168 5.136 3.895 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.019 6.685 2.742 1.00 0.00 N ATOM 0 H ASN A 81 -0.018 2.707 2.756 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.602 2.882 4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.506 4.976 4.755 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.013 5.270 3.100 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.861 7.222 2.535 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.113 7.005 2.400 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.739 3.322 1.832 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.371 3.152 0.528 1.00 0.00 C ATOM 1331 C TRP A 82 -3.838 4.170 -0.473 1.00 0.00 C ATOM 1332 O TRP A 82 -3.949 5.378 -0.261 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.889 3.287 0.654 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.535 2.122 1.342 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -7.036 2.095 2.612 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.747 0.816 0.796 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.547 0.850 2.888 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.383 0.047 1.790 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.465 0.221 -0.436 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.737 -1.285 1.589 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.817 -1.100 -0.635 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.449 -1.841 0.373 1.00 0.00 C ATOM 0 H TRP A 82 -4.378 3.599 2.577 1.00 0.00 H new ATOM 0 HA TRP A 82 -4.131 2.153 0.163 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.121 4.199 1.204 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.320 3.397 -0.341 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -7.031 2.929 3.298 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.979 0.569 3.768 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.980 0.784 -1.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.222 -1.858 2.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.602 -1.570 -1.583 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.714 -2.871 0.186 1.00 0.00 H new ATOM 1353 N ALA A 83 -3.260 3.677 -1.562 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.712 4.545 -2.597 1.00 0.00 C ATOM 1355 C ALA A 83 -3.811 5.053 -3.525 1.00 0.00 C ATOM 1356 O ALA A 83 -4.164 4.395 -4.504 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.644 3.809 -3.393 1.00 0.00 C ATOM 0 H ALA A 83 -3.159 2.680 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.256 5.407 -2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.244 4.469 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.840 3.501 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.082 2.929 -3.863 1.00 0.00 H new