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 Set 1.1: A 15 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.62) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -139:sc= -0.0219 (180deg=0) 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 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 27 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.8) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.00372 K(o=-0.0037,f=-0.86) USER MOD Single : A 35 CYS SG : rot -19:sc= -0.206 USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= 1.1 (180deg=0.622) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 43:sc= -0.512 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -133:sc= -4.58! (180deg=-6.99!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.204 USER MOD Single : A 51 CYS SG : rot 100:sc= -1.95 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -0.454 K(o=-0.45,f=-2.2) USER MOD Single : A 68 MET CE :methyl -126:sc= -5.93! (180deg=-7.85!) USER MOD Single : A 69 ASN : amide:sc= -0.313 K(o=-0.31,f=-1) USER MOD Single : A 72 LYS NZ :NH3+ -138:sc= 0.161 (180deg=-0.727) USER MOD Single : A 79 LYS NZ :NH3+ -140:sc= -0.438 (180deg=-2.3!) USER MOD Single : A 81 ASN : amide:sc= -0.355 X(o=-0.35,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.718 -0.424 -4.781 1.00 0.00 N ATOM 164 CA PRO A 8 -8.269 -0.208 -4.812 1.00 0.00 C ATOM 165 C PRO A 8 -7.486 -1.500 -4.598 1.00 0.00 C ATOM 166 O PRO A 8 -7.875 -2.345 -3.792 1.00 0.00 O ATOM 167 CB PRO A 8 -8.029 0.761 -3.652 1.00 0.00 C ATOM 168 CG PRO A 8 -9.166 0.523 -2.718 1.00 0.00 C ATOM 169 CD PRO A 8 -10.342 0.161 -3.582 1.00 0.00 C ATOM 0 HA PRO A 8 -7.934 0.171 -5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.072 0.569 -3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.010 1.795 -3.997 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.934 -0.280 -2.018 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.377 1.413 -2.125 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.002 -0.550 -3.085 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.944 1.036 -3.828 1.00 0.00 H new ATOM 177 N ARG A 9 -6.383 -1.644 -5.325 1.00 0.00 N ATOM 178 CA ARG A 9 -5.546 -2.834 -5.215 1.00 0.00 C ATOM 179 C ARG A 9 -4.075 -2.453 -5.074 1.00 0.00 C ATOM 180 O ARG A 9 -3.189 -3.299 -5.192 1.00 0.00 O ATOM 181 CB ARG A 9 -5.738 -3.732 -6.437 1.00 0.00 C ATOM 182 CG ARG A 9 -7.122 -4.354 -6.525 1.00 0.00 C ATOM 183 CD ARG A 9 -7.231 -5.306 -7.707 1.00 0.00 C ATOM 184 NE ARG A 9 -8.592 -5.374 -8.231 1.00 0.00 N ATOM 185 CZ ARG A 9 -9.231 -4.333 -8.755 1.00 0.00 C ATOM 186 NH1 ARG A 9 -8.635 -3.151 -8.823 1.00 0.00 N ATOM 187 NH2 ARG A 9 -10.469 -4.474 -9.210 1.00 0.00 N ATOM 0 H ARG A 9 -6.048 -0.953 -5.996 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.848 -3.380 -4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.553 -3.148 -7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.993 -4.527 -6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.340 -4.892 -5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.870 -3.567 -6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.554 -4.982 -8.497 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.910 -6.302 -7.401 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.079 -6.269 -8.193 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.684 -3.039 -8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.128 -2.354 -9.226 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.931 -5.382 -9.158 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.959 -3.675 -9.612 1.00 0.00 H new ATOM 201 N THR A 10 -3.823 -1.171 -4.824 1.00 0.00 N ATOM 202 CA THR A 10 -2.460 -0.677 -4.670 1.00 0.00 C ATOM 203 C THR A 10 -2.282 0.040 -3.337 1.00 0.00 C ATOM 204 O THR A 10 -3.150 0.803 -2.910 1.00 0.00 O ATOM 205 CB THR A 10 -2.079 0.285 -5.813 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.491 -0.262 -7.071 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.579 0.537 -5.829 1.00 0.00 C ATOM 0 H THR A 10 -4.545 -0.457 -4.724 1.00 0.00 H new ATOM 0 HA THR A 10 -1.803 -1.546 -4.702 1.00 0.00 H new ATOM 0 HB THR A 10 -2.589 1.234 -5.646 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.247 0.356 -7.792 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.333 1.218 -6.643 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.274 0.980 -4.881 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.053 -0.407 -5.974 1.00 0.00 H new ATOM 215 N LEU A 11 -1.153 -0.209 -2.683 1.00 0.00 N ATOM 216 CA LEU A 11 -0.861 0.414 -1.397 1.00 0.00 C ATOM 217 C LEU A 11 0.508 1.086 -1.417 1.00 0.00 C ATOM 218 O LEU A 11 1.428 0.627 -2.093 1.00 0.00 O ATOM 219 CB LEU A 11 -0.913 -0.629 -0.279 1.00 0.00 C ATOM 220 CG LEU A 11 -1.992 -1.704 -0.414 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.659 -2.907 0.455 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.356 -1.140 -0.047 1.00 0.00 C ATOM 0 H LEU A 11 -0.425 -0.838 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.618 1.176 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.058 -1.122 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.062 -0.110 0.668 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.024 -2.030 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.438 -3.661 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.702 -3.326 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.598 -2.597 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.111 -1.919 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.338 -0.785 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.598 -0.311 -0.712 1.00 0.00 H new ATOM 234 N TYR A 12 0.636 2.177 -0.668 1.00 0.00 N ATOM 235 CA TYR A 12 1.893 2.913 -0.599 1.00 0.00 C ATOM 236 C TYR A 12 2.649 2.581 0.683 1.00 0.00 C ATOM 237 O TYR A 12 2.142 2.780 1.787 1.00 0.00 O ATOM 238 CB TYR A 12 1.630 4.419 -0.674 1.00 0.00 C ATOM 239 CG TYR A 12 2.677 5.252 0.030 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.606 5.481 1.398 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.739 5.808 -0.674 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.560 6.242 2.045 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.698 6.569 -0.034 1.00 0.00 C ATOM 244 CZ TYR A 12 4.605 6.784 1.324 1.00 0.00 C ATOM 245 OH TYR A 12 5.558 7.541 1.965 1.00 0.00 O ATOM 0 H TYR A 12 -0.115 2.570 -0.101 1.00 0.00 H new ATOM 0 HA TYR A 12 2.507 2.615 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.582 4.719 -1.721 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.654 4.631 -0.237 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.791 5.057 1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.816 5.642 -1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.489 6.412 3.109 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.517 6.994 -0.595 1.00 0.00 H new ATOM 0 HH TYR A 12 6.225 7.847 1.315 1.00 0.00 H new ATOM 255 N VAL A 13 3.868 2.073 0.528 1.00 0.00 N ATOM 256 CA VAL A 13 4.697 1.713 1.672 1.00 0.00 C ATOM 257 C VAL A 13 5.790 2.751 1.906 1.00 0.00 C ATOM 258 O VAL A 13 6.626 2.993 1.037 1.00 0.00 O ATOM 259 CB VAL A 13 5.350 0.331 1.481 1.00 0.00 C ATOM 260 CG1 VAL A 13 6.089 -0.090 2.741 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.303 -0.703 1.096 1.00 0.00 C ATOM 0 H VAL A 13 4.303 1.902 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 13 4.039 1.678 2.541 1.00 0.00 H new ATOM 0 HB VAL A 13 6.075 0.400 0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.543 -1.069 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.867 0.639 2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.388 -0.143 3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.781 -1.674 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.553 -0.772 1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.824 -0.406 0.163 1.00 0.00 H new ATOM 271 N GLY A 14 5.776 3.361 3.088 1.00 0.00 N ATOM 272 CA GLY A 14 6.771 4.365 3.415 1.00 0.00 C ATOM 273 C GLY A 14 7.526 4.040 4.689 1.00 0.00 C ATOM 274 O GLY A 14 7.174 3.103 5.405 1.00 0.00 O ATOM 0 H GLY A 14 5.094 3.178 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.478 4.454 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.283 5.334 3.522 1.00 0.00 H new ATOM 278 N ASN A 15 8.569 4.814 4.972 1.00 0.00 N ATOM 279 CA ASN A 15 9.378 4.601 6.166 1.00 0.00 C ATOM 280 C ASN A 15 10.086 3.251 6.110 1.00 0.00 C ATOM 281 O ASN A 15 10.115 2.511 7.094 1.00 0.00 O ATOM 282 CB ASN A 15 8.503 4.678 7.419 1.00 0.00 C ATOM 283 CG ASN A 15 9.300 5.035 8.659 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.362 6.200 9.057 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.914 4.033 9.276 1.00 0.00 N ATOM 0 H ASN A 15 8.874 5.595 4.390 1.00 0.00 H new ATOM 0 HA ASN A 15 10.133 5.386 6.208 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.720 5.421 7.267 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.007 3.719 7.572 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.465 4.212 10.116 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.835 3.084 8.911 1.00 0.00 H new ATOM 292 N LEU A 16 10.659 2.939 4.953 1.00 0.00 N ATOM 293 CA LEU A 16 11.369 1.678 4.766 1.00 0.00 C ATOM 294 C LEU A 16 12.865 1.854 5.013 1.00 0.00 C ATOM 295 O LEU A 16 13.471 2.819 4.548 1.00 0.00 O ATOM 296 CB LEU A 16 11.134 1.140 3.355 1.00 0.00 C ATOM 297 CG LEU A 16 9.700 0.722 3.026 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.511 0.602 1.522 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.356 -0.591 3.715 1.00 0.00 C ATOM 0 H LEU A 16 10.646 3.542 4.130 1.00 0.00 H new ATOM 0 HA LEU A 16 10.981 0.961 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.441 1.904 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.786 0.280 3.202 1.00 0.00 H new ATOM 0 HG LEU A 16 9.023 1.492 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.485 0.304 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.716 1.564 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.197 -0.148 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.332 -0.873 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.038 -1.370 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.451 -0.471 4.794 1.00 0.00 H new ATOM 311 N SER A 17 13.453 0.914 5.747 1.00 0.00 N ATOM 312 CA SER A 17 14.877 0.967 6.057 1.00 0.00 C ATOM 313 C SER A 17 15.714 0.755 4.799 1.00 0.00 C ATOM 314 O SER A 17 15.297 0.062 3.871 1.00 0.00 O ATOM 315 CB SER A 17 15.232 -0.090 7.103 1.00 0.00 C ATOM 316 OG SER A 17 16.353 0.309 7.872 1.00 0.00 O ATOM 0 H SER A 17 12.966 0.108 6.138 1.00 0.00 H new ATOM 0 HA SER A 17 15.100 1.955 6.459 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.378 -0.258 7.759 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.445 -1.038 6.609 1.00 0.00 H new ATOM 0 HG SER A 17 16.558 -0.383 8.535 1.00 0.00 H new ATOM 322 N ARG A 18 16.899 1.358 4.776 1.00 0.00 N ATOM 323 CA ARG A 18 17.796 1.237 3.634 1.00 0.00 C ATOM 324 C ARG A 18 18.099 -0.228 3.332 1.00 0.00 C ATOM 325 O ARG A 18 18.591 -0.561 2.254 1.00 0.00 O ATOM 326 CB ARG A 18 19.099 1.994 3.898 1.00 0.00 C ATOM 327 CG ARG A 18 19.001 3.487 3.627 1.00 0.00 C ATOM 328 CD ARG A 18 20.222 4.229 4.148 1.00 0.00 C ATOM 329 NE ARG A 18 20.156 5.660 3.862 1.00 0.00 N ATOM 330 CZ ARG A 18 19.381 6.508 4.529 1.00 0.00 C ATOM 331 NH1 ARG A 18 18.610 6.071 5.514 1.00 0.00 N ATOM 332 NH2 ARG A 18 19.377 7.796 4.210 1.00 0.00 N ATOM 0 H ARG A 18 17.259 1.935 5.536 1.00 0.00 H new ATOM 0 HA ARG A 18 17.299 1.674 2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.395 1.840 4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.888 1.571 3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.900 3.658 2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.103 3.885 4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.306 4.078 5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 18 21.121 3.810 3.696 1.00 0.00 H new ATOM 0 HE ARG A 18 20.737 6.028 3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.611 5.082 5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.016 6.724 6.025 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.969 8.136 3.452 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.782 8.447 4.723 1.00 0.00 H new ATOM 346 N ASP A 19 17.802 -1.097 4.292 1.00 0.00 N ATOM 347 CA ASP A 19 18.041 -2.526 4.130 1.00 0.00 C ATOM 348 C ASP A 19 16.876 -3.194 3.407 1.00 0.00 C ATOM 349 O ASP A 19 17.049 -4.210 2.734 1.00 0.00 O ATOM 350 CB ASP A 19 18.258 -3.186 5.492 1.00 0.00 C ATOM 351 CG ASP A 19 18.648 -4.647 5.372 1.00 0.00 C ATOM 352 OD1 ASP A 19 19.041 -5.067 4.264 1.00 0.00 O ATOM 353 OD2 ASP A 19 18.560 -5.369 6.387 1.00 0.00 O ATOM 0 H ASP A 19 17.395 -0.837 5.190 1.00 0.00 H new ATOM 0 HA ASP A 19 18.940 -2.652 3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.037 -2.648 6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.345 -3.104 6.082 1.00 0.00 H new ATOM 358 N VAL A 20 15.688 -2.616 3.551 1.00 0.00 N ATOM 359 CA VAL A 20 14.493 -3.155 2.912 1.00 0.00 C ATOM 360 C VAL A 20 14.658 -3.213 1.398 1.00 0.00 C ATOM 361 O VAL A 20 15.258 -2.324 0.792 1.00 0.00 O ATOM 362 CB VAL A 20 13.248 -2.314 3.250 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.106 -2.646 2.301 1.00 0.00 C ATOM 364 CG2 VAL A 20 12.831 -2.536 4.696 1.00 0.00 C ATOM 0 H VAL A 20 15.527 -1.774 4.104 1.00 0.00 H new ATOM 0 HA VAL A 20 14.356 -4.165 3.298 1.00 0.00 H new ATOM 0 HB VAL A 20 13.498 -1.260 3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.235 -2.042 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.410 -2.431 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.854 -3.703 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.950 -1.934 4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.598 -3.590 4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.646 -2.244 5.359 1.00 0.00 H new ATOM 374 N THR A 21 14.121 -4.267 0.789 1.00 0.00 N ATOM 375 CA THR A 21 14.209 -4.441 -0.654 1.00 0.00 C ATOM 376 C THR A 21 12.860 -4.839 -1.244 1.00 0.00 C ATOM 377 O THR A 21 11.931 -5.181 -0.513 1.00 0.00 O ATOM 378 CB THR A 21 15.253 -5.511 -1.028 1.00 0.00 C ATOM 379 OG1 THR A 21 15.123 -6.646 -0.164 1.00 0.00 O ATOM 380 CG2 THR A 21 16.663 -4.949 -0.927 1.00 0.00 C ATOM 0 H THR A 21 13.621 -5.012 1.274 1.00 0.00 H new ATOM 0 HA THR A 21 14.516 -3.481 -1.069 1.00 0.00 H new ATOM 0 HB THR A 21 15.074 -5.818 -2.059 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.789 -7.322 -0.409 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.383 -5.722 -1.196 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.767 -4.104 -1.607 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.850 -4.618 0.094 1.00 0.00 H new ATOM 388 N GLU A 22 12.760 -4.788 -2.568 1.00 0.00 N ATOM 389 CA GLU A 22 11.523 -5.143 -3.255 1.00 0.00 C ATOM 390 C GLU A 22 11.133 -6.588 -2.961 1.00 0.00 C ATOM 391 O GLU A 22 9.965 -6.891 -2.718 1.00 0.00 O ATOM 392 CB GLU A 22 11.675 -4.941 -4.764 1.00 0.00 C ATOM 393 CG GLU A 22 10.466 -5.397 -5.564 1.00 0.00 C ATOM 394 CD GLU A 22 10.559 -6.851 -5.982 1.00 0.00 C ATOM 395 OE1 GLU A 22 11.337 -7.601 -5.357 1.00 0.00 O ATOM 396 OE2 GLU A 22 9.852 -7.240 -6.936 1.00 0.00 O ATOM 0 H GLU A 22 13.520 -4.505 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 22 10.733 -4.489 -2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.855 -3.885 -4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.554 -5.485 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.565 -5.251 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.366 -4.773 -6.452 1.00 0.00 H new ATOM 403 N VAL A 23 12.121 -7.479 -2.985 1.00 0.00 N ATOM 404 CA VAL A 23 11.882 -8.892 -2.721 1.00 0.00 C ATOM 405 C VAL A 23 11.437 -9.116 -1.280 1.00 0.00 C ATOM 406 O VAL A 23 10.544 -9.919 -1.011 1.00 0.00 O ATOM 407 CB VAL A 23 13.142 -9.735 -2.994 1.00 0.00 C ATOM 408 CG1 VAL A 23 14.315 -9.223 -2.173 1.00 0.00 C ATOM 409 CG2 VAL A 23 12.874 -11.203 -2.701 1.00 0.00 C ATOM 0 H VAL A 23 13.094 -7.246 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 23 11.087 -9.209 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 23 13.400 -9.641 -4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.196 -9.831 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.520 -8.186 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.071 -9.285 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.775 -11.784 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.590 -11.319 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.065 -11.559 -3.338 1.00 0.00 H new ATOM 419 N LEU A 24 12.066 -8.398 -0.356 1.00 0.00 N ATOM 420 CA LEU A 24 11.736 -8.516 1.060 1.00 0.00 C ATOM 421 C LEU A 24 10.270 -8.173 1.308 1.00 0.00 C ATOM 422 O LEU A 24 9.545 -8.933 1.950 1.00 0.00 O ATOM 423 CB LEU A 24 12.633 -7.598 1.893 1.00 0.00 C ATOM 424 CG LEU A 24 12.648 -7.860 3.399 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.718 -7.017 4.075 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.281 -7.576 4.003 1.00 0.00 C ATOM 0 H LEU A 24 12.807 -7.728 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 24 11.905 -9.550 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.653 -7.684 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.318 -6.568 1.727 1.00 0.00 H new ATOM 0 HG LEU A 24 12.884 -8.911 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.715 -7.216 5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.695 -7.269 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.513 -5.961 3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.310 -7.768 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.015 -6.533 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.537 -8.223 3.539 1.00 0.00 H new ATOM 438 N ILE A 25 9.841 -7.026 0.792 1.00 0.00 N ATOM 439 CA ILE A 25 8.461 -6.585 0.955 1.00 0.00 C ATOM 440 C ILE A 25 7.485 -7.613 0.391 1.00 0.00 C ATOM 441 O ILE A 25 6.508 -7.981 1.044 1.00 0.00 O ATOM 442 CB ILE A 25 8.218 -5.231 0.264 1.00 0.00 C ATOM 443 CG1 ILE A 25 8.975 -4.118 0.993 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.729 -4.921 0.214 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.378 -3.763 2.338 1.00 0.00 C ATOM 0 H ILE A 25 10.429 -6.386 0.258 1.00 0.00 H new ATOM 0 HA ILE A 25 8.290 -6.474 2.026 1.00 0.00 H new ATOM 0 HB ILE A 25 8.592 -5.290 -0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.011 -4.426 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.990 -3.228 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.574 -3.961 -0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.213 -5.702 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.332 -4.878 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.965 -2.968 2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.351 -3.424 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.388 -4.641 2.984 1.00 0.00 H new ATOM 457 N LEU A 26 7.758 -8.074 -0.824 1.00 0.00 N ATOM 458 CA LEU A 26 6.906 -9.063 -1.477 1.00 0.00 C ATOM 459 C LEU A 26 6.806 -10.334 -0.639 1.00 0.00 C ATOM 460 O LEU A 26 5.786 -11.023 -0.658 1.00 0.00 O ATOM 461 CB LEU A 26 7.448 -9.395 -2.867 1.00 0.00 C ATOM 462 CG LEU A 26 7.119 -8.393 -3.973 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.865 -8.745 -5.252 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.619 -8.350 -4.225 1.00 0.00 C ATOM 0 H LEU A 26 8.562 -7.779 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 26 5.908 -8.637 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.532 -9.488 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.062 -10.371 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 26 7.442 -7.404 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.618 -8.021 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.939 -8.724 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.573 -9.742 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.403 -7.631 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.273 -9.338 -4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.105 -8.050 -3.312 1.00 0.00 H new ATOM 476 N GLN A 27 7.872 -10.637 0.096 1.00 0.00 N ATOM 477 CA GLN A 27 7.904 -11.825 0.940 1.00 0.00 C ATOM 478 C GLN A 27 6.941 -11.683 2.115 1.00 0.00 C ATOM 479 O GLN A 27 6.120 -12.566 2.369 1.00 0.00 O ATOM 480 CB GLN A 27 9.322 -12.072 1.456 1.00 0.00 C ATOM 481 CG GLN A 27 10.238 -12.723 0.431 1.00 0.00 C ATOM 482 CD GLN A 27 9.838 -14.152 0.116 1.00 0.00 C ATOM 483 OE1 GLN A 27 8.943 -14.712 0.749 1.00 0.00 O ATOM 484 NE2 GLN A 27 10.502 -14.748 -0.867 1.00 0.00 N ATOM 0 H GLN A 27 8.724 -10.076 0.124 1.00 0.00 H new ATOM 0 HA GLN A 27 7.591 -12.677 0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.757 -11.122 1.768 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.272 -12.706 2.341 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.226 -12.135 -0.487 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.262 -12.710 0.804 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.237 -14.245 -1.365 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.277 -15.709 -1.125 1.00 0.00 H new ATOM 493 N LEU A 28 7.046 -10.568 2.828 1.00 0.00 N ATOM 494 CA LEU A 28 6.185 -10.310 3.978 1.00 0.00 C ATOM 495 C LEU A 28 4.727 -10.182 3.547 1.00 0.00 C ATOM 496 O LEU A 28 3.835 -10.775 4.153 1.00 0.00 O ATOM 497 CB LEU A 28 6.629 -9.036 4.697 1.00 0.00 C ATOM 498 CG LEU A 28 8.093 -8.990 5.137 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.348 -7.777 6.017 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.472 -10.271 5.867 1.00 0.00 C ATOM 0 H LEU A 28 7.719 -9.827 2.631 1.00 0.00 H new ATOM 0 HA LEU A 28 6.271 -11.154 4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.441 -8.187 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.001 -8.902 5.578 1.00 0.00 H new ATOM 0 HG LEU A 28 8.717 -8.905 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.395 -7.761 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.118 -6.869 5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.715 -7.830 6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.517 -10.220 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.842 -10.388 6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.329 -11.124 5.203 1.00 0.00 H new ATOM 512 N PHE A 29 4.492 -9.406 2.494 1.00 0.00 N ATOM 513 CA PHE A 29 3.144 -9.200 1.981 1.00 0.00 C ATOM 514 C PHE A 29 2.594 -10.484 1.366 1.00 0.00 C ATOM 515 O PHE A 29 1.393 -10.749 1.424 1.00 0.00 O ATOM 516 CB PHE A 29 3.136 -8.078 0.940 1.00 0.00 C ATOM 517 CG PHE A 29 3.115 -6.702 1.541 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.225 -6.206 2.207 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.985 -5.905 1.442 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.209 -4.940 2.761 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.964 -4.639 1.995 1.00 0.00 C ATOM 522 CZ PHE A 29 3.077 -4.156 2.656 1.00 0.00 C ATOM 0 H PHE A 29 5.219 -8.909 1.979 1.00 0.00 H new ATOM 0 HA PHE A 29 2.504 -8.915 2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.017 -8.175 0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.265 -8.198 0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.112 -6.816 2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.112 -6.278 0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.081 -4.564 3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.078 -4.027 1.911 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.062 -3.167 3.090 1.00 0.00 H new ATOM 532 N SER A 30 3.482 -11.277 0.775 1.00 0.00 N ATOM 533 CA SER A 30 3.087 -12.531 0.145 1.00 0.00 C ATOM 534 C SER A 30 2.468 -13.481 1.166 1.00 0.00 C ATOM 535 O SER A 30 1.529 -14.214 0.858 1.00 0.00 O ATOM 536 CB SER A 30 4.295 -13.196 -0.519 1.00 0.00 C ATOM 537 OG SER A 30 4.091 -14.590 -0.670 1.00 0.00 O ATOM 0 H SER A 30 4.480 -11.073 0.719 1.00 0.00 H new ATOM 0 HA SER A 30 2.340 -12.306 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.472 -12.744 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.187 -13.019 0.082 1.00 0.00 H new ATOM 0 HG SER A 30 4.876 -14.991 -1.098 1.00 0.00 H new ATOM 543 N GLN A 31 3.001 -13.461 2.383 1.00 0.00 N ATOM 544 CA GLN A 31 2.501 -14.320 3.450 1.00 0.00 C ATOM 545 C GLN A 31 1.004 -14.116 3.658 1.00 0.00 C ATOM 546 O GLN A 31 0.287 -15.044 4.031 1.00 0.00 O ATOM 547 CB GLN A 31 3.252 -14.041 4.753 1.00 0.00 C ATOM 548 CG GLN A 31 4.732 -14.383 4.688 1.00 0.00 C ATOM 549 CD GLN A 31 5.358 -14.529 6.061 1.00 0.00 C ATOM 550 OE1 GLN A 31 4.740 -14.203 7.075 1.00 0.00 O ATOM 551 NE2 GLN A 31 6.590 -15.022 6.101 1.00 0.00 N ATOM 0 H GLN A 31 3.779 -12.860 2.655 1.00 0.00 H new ATOM 0 HA GLN A 31 2.670 -15.356 3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.142 -12.987 5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.791 -14.613 5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.862 -15.312 4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.257 -13.604 4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.065 -15.279 5.236 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.062 -15.144 6.997 1.00 0.00 H new ATOM 560 N ILE A 32 0.540 -12.895 3.415 1.00 0.00 N ATOM 561 CA ILE A 32 -0.872 -12.568 3.575 1.00 0.00 C ATOM 562 C ILE A 32 -1.654 -12.874 2.301 1.00 0.00 C ATOM 563 O ILE A 32 -2.653 -13.591 2.331 1.00 0.00 O ATOM 564 CB ILE A 32 -1.069 -11.087 3.943 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.290 -10.746 5.215 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.549 -10.778 4.123 1.00 0.00 C ATOM 567 CD1 ILE A 32 -0.180 -9.260 5.477 1.00 0.00 C ATOM 0 H ILE A 32 1.121 -12.116 3.107 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.250 -13.188 4.388 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.685 -10.472 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.775 -11.222 6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.712 -11.169 5.142 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.672 -9.727 4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.080 -10.987 3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.956 -11.399 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.385 -9.093 6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.333 -8.780 4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.178 -8.834 5.583 1.00 0.00 H new ATOM 579 N GLY A 33 -1.191 -12.324 1.183 1.00 0.00 N ATOM 580 CA GLY A 33 -1.858 -12.550 -0.086 1.00 0.00 C ATOM 581 C GLY A 33 -0.919 -12.411 -1.268 1.00 0.00 C ATOM 582 O GLY A 33 0.233 -11.998 -1.127 1.00 0.00 O ATOM 0 H GLY A 33 -0.366 -11.726 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.296 -13.548 -0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.679 -11.841 -0.193 1.00 0.00 H new ATOM 586 N PRO A 34 -1.412 -12.763 -2.464 1.00 0.00 N ATOM 587 CA PRO A 34 -0.624 -12.684 -3.698 1.00 0.00 C ATOM 588 C PRO A 34 -0.353 -11.245 -4.123 1.00 0.00 C ATOM 589 O PRO A 34 -1.265 -10.417 -4.160 1.00 0.00 O ATOM 590 CB PRO A 34 -1.510 -13.388 -4.729 1.00 0.00 C ATOM 591 CG PRO A 34 -2.895 -13.239 -4.204 1.00 0.00 C ATOM 592 CD PRO A 34 -2.775 -13.262 -2.706 1.00 0.00 C ATOM 0 HA PRO A 34 0.361 -13.135 -3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.409 -12.933 -5.714 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.237 -14.438 -4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.343 -12.306 -4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.535 -14.048 -4.557 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.525 -12.628 -2.233 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.911 -14.267 -2.308 1.00 0.00 H new ATOM 600 N CYS A 35 0.902 -10.955 -4.444 1.00 0.00 N ATOM 601 CA CYS A 35 1.292 -9.614 -4.867 1.00 0.00 C ATOM 602 C CYS A 35 1.504 -9.559 -6.376 1.00 0.00 C ATOM 603 O CYS A 35 2.361 -10.256 -6.920 1.00 0.00 O ATOM 604 CB CYS A 35 2.570 -9.181 -4.145 1.00 0.00 C ATOM 605 SG CYS A 35 2.405 -9.086 -2.347 1.00 0.00 S ATOM 0 H CYS A 35 1.667 -11.629 -4.420 1.00 0.00 H new ATOM 0 HA CYS A 35 0.485 -8.929 -4.607 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.368 -9.882 -4.389 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.876 -8.206 -4.523 1.00 0.00 H new ATOM 0 HG CYS A 35 1.146 -9.012 -2.030 1.00 0.00 H new ATOM 611 N LYS A 36 0.716 -8.727 -7.049 1.00 0.00 N ATOM 612 CA LYS A 36 0.816 -8.581 -8.496 1.00 0.00 C ATOM 613 C LYS A 36 2.196 -8.073 -8.898 1.00 0.00 C ATOM 614 O LYS A 36 2.845 -8.641 -9.778 1.00 0.00 O ATOM 615 CB LYS A 36 -0.261 -7.621 -9.007 1.00 0.00 C ATOM 616 CG LYS A 36 -0.718 -7.918 -10.424 1.00 0.00 C ATOM 617 CD LYS A 36 -1.860 -8.922 -10.444 1.00 0.00 C ATOM 618 CE LYS A 36 -2.539 -8.967 -11.803 1.00 0.00 C ATOM 619 NZ LYS A 36 -3.864 -9.646 -11.739 1.00 0.00 N ATOM 0 H LYS A 36 0.001 -8.143 -6.615 1.00 0.00 H new ATOM 0 HA LYS A 36 0.664 -9.562 -8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.122 -7.666 -8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.123 -6.602 -8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.037 -6.994 -10.906 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.119 -8.307 -11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.480 -9.912 -10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.591 -8.658 -9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.669 -7.952 -12.178 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.897 -9.489 -12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.101 -10.034 -12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.825 -10.419 -11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.592 -8.960 -11.454 1.00 0.00 H new ATOM 633 N SER A 37 2.642 -7.003 -8.248 1.00 0.00 N ATOM 634 CA SER A 37 3.945 -6.418 -8.539 1.00 0.00 C ATOM 635 C SER A 37 4.314 -5.366 -7.497 1.00 0.00 C ATOM 636 O SER A 37 3.445 -4.691 -6.946 1.00 0.00 O ATOM 637 CB SER A 37 3.945 -5.792 -9.935 1.00 0.00 C ATOM 638 OG SER A 37 5.043 -4.912 -10.098 1.00 0.00 O ATOM 0 H SER A 37 2.119 -6.523 -7.515 1.00 0.00 H new ATOM 0 HA SER A 37 4.689 -7.214 -8.505 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.989 -6.578 -10.689 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.013 -5.249 -10.094 1.00 0.00 H new ATOM 0 HG SER A 37 5.022 -4.526 -10.999 1.00 0.00 H new ATOM 644 N CYS A 38 5.609 -5.235 -7.233 1.00 0.00 N ATOM 645 CA CYS A 38 6.095 -4.266 -6.256 1.00 0.00 C ATOM 646 C CYS A 38 7.193 -3.393 -6.856 1.00 0.00 C ATOM 647 O CYS A 38 8.140 -3.895 -7.461 1.00 0.00 O ATOM 648 CB CYS A 38 6.621 -4.984 -5.013 1.00 0.00 C ATOM 649 SG CYS A 38 7.467 -3.902 -3.838 1.00 0.00 S ATOM 0 H CYS A 38 6.341 -5.786 -7.681 1.00 0.00 H new ATOM 0 HA CYS A 38 5.261 -3.625 -5.971 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.787 -5.470 -4.507 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.307 -5.771 -5.325 1.00 0.00 H new ATOM 0 HG CYS A 38 6.799 -2.794 -3.709 1.00 0.00 H new ATOM 655 N LYS A 39 7.058 -2.083 -6.685 1.00 0.00 N ATOM 656 CA LYS A 39 8.037 -1.138 -7.209 1.00 0.00 C ATOM 657 C LYS A 39 8.612 -0.273 -6.092 1.00 0.00 C ATOM 658 O LYS A 39 7.914 0.566 -5.523 1.00 0.00 O ATOM 659 CB LYS A 39 7.397 -0.248 -8.278 1.00 0.00 C ATOM 660 CG LYS A 39 8.403 0.560 -9.079 1.00 0.00 C ATOM 661 CD LYS A 39 7.754 1.223 -10.282 1.00 0.00 C ATOM 662 CE LYS A 39 8.787 1.901 -11.170 1.00 0.00 C ATOM 663 NZ LYS A 39 9.470 0.929 -12.068 1.00 0.00 N ATOM 0 H LYS A 39 6.280 -1.651 -6.187 1.00 0.00 H new ATOM 0 HA LYS A 39 8.850 -1.709 -7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.819 -0.872 -8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.695 0.434 -7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.851 1.321 -8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.211 -0.091 -9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.209 0.477 -10.860 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.024 1.959 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.301 2.670 -11.770 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.528 2.403 -10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.166 1.430 -12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.955 0.209 -11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.767 0.468 -12.680 1.00 0.00 H new ATOM 677 N MET A 40 9.887 -0.484 -5.783 1.00 0.00 N ATOM 678 CA MET A 40 10.555 0.279 -4.735 1.00 0.00 C ATOM 679 C MET A 40 11.168 1.557 -5.299 1.00 0.00 C ATOM 680 O MET A 40 12.059 1.506 -6.148 1.00 0.00 O ATOM 681 CB MET A 40 11.639 -0.571 -4.069 1.00 0.00 C ATOM 682 CG MET A 40 12.474 0.194 -3.054 1.00 0.00 C ATOM 683 SD MET A 40 13.661 -0.857 -2.197 1.00 0.00 S ATOM 684 CE MET A 40 12.717 -1.316 -0.745 1.00 0.00 C ATOM 0 H MET A 40 10.478 -1.176 -6.243 1.00 0.00 H new ATOM 0 HA MET A 40 9.810 0.554 -3.989 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.169 -1.421 -3.574 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.297 -0.974 -4.839 1.00 0.00 H new ATOM 0 HG2 MET A 40 13.007 0.999 -3.561 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.813 0.660 -2.323 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.334 -1.191 0.145 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.836 -0.679 -0.668 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.406 -2.357 -0.827 1.00 0.00 H new ATOM 694 N ILE A 41 10.686 2.699 -4.822 1.00 0.00 N ATOM 695 CA ILE A 41 11.188 3.989 -5.280 1.00 0.00 C ATOM 696 C ILE A 41 12.014 4.673 -4.196 1.00 0.00 C ATOM 697 O ILE A 41 11.535 4.901 -3.084 1.00 0.00 O ATOM 698 CB ILE A 41 10.038 4.924 -5.699 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.084 4.200 -6.650 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.591 6.183 -6.350 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.077 5.115 -7.309 1.00 0.00 C ATOM 0 H ILE A 41 9.949 2.758 -4.119 1.00 0.00 H new ATOM 0 HA ILE A 41 11.820 3.792 -6.146 1.00 0.00 H new ATOM 0 HB ILE A 41 9.481 5.214 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.666 3.698 -7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.552 3.426 -6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.767 6.834 -6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.234 6.706 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.169 5.912 -7.234 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.434 4.533 -7.969 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.469 5.598 -6.544 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.601 5.874 -7.890 1.00 0.00 H new ATOM 810 N PRO A 49 12.888 5.955 2.087 1.00 0.00 N ATOM 811 CA PRO A 49 12.393 5.434 0.810 1.00 0.00 C ATOM 812 C PRO A 49 10.960 4.921 0.909 1.00 0.00 C ATOM 813 O PRO A 49 10.383 4.869 1.995 1.00 0.00 O ATOM 814 CB PRO A 49 13.353 4.282 0.501 1.00 0.00 C ATOM 815 CG PRO A 49 13.866 3.850 1.831 1.00 0.00 C ATOM 816 CD PRO A 49 13.926 5.092 2.676 1.00 0.00 C ATOM 0 HA PRO A 49 12.366 6.204 0.039 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.841 3.466 -0.010 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.165 4.607 -0.150 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.209 3.105 2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.851 3.393 1.739 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.721 4.875 3.724 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.910 5.560 2.634 1.00 0.00 H new ATOM 824 N TYR A 50 10.392 4.544 -0.231 1.00 0.00 N ATOM 825 CA TYR A 50 9.025 4.037 -0.272 1.00 0.00 C ATOM 826 C TYR A 50 8.829 3.097 -1.457 1.00 0.00 C ATOM 827 O TYR A 50 9.479 3.241 -2.494 1.00 0.00 O ATOM 828 CB TYR A 50 8.031 5.197 -0.356 1.00 0.00 C ATOM 829 CG TYR A 50 8.145 6.000 -1.631 1.00 0.00 C ATOM 830 CD1 TYR A 50 9.003 7.091 -1.714 1.00 0.00 C ATOM 831 CD2 TYR A 50 7.395 5.671 -2.753 1.00 0.00 C ATOM 832 CE1 TYR A 50 9.109 7.828 -2.878 1.00 0.00 C ATOM 833 CE2 TYR A 50 7.496 6.402 -3.921 1.00 0.00 C ATOM 834 CZ TYR A 50 8.354 7.480 -3.978 1.00 0.00 C ATOM 835 OH TYR A 50 8.457 8.212 -5.139 1.00 0.00 O ATOM 0 H TYR A 50 10.856 4.580 -1.138 1.00 0.00 H new ATOM 0 HA TYR A 50 8.843 3.478 0.646 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.018 4.803 -0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.186 5.859 0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.596 7.367 -0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.721 4.828 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.780 8.673 -2.926 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.906 6.131 -4.784 1.00 0.00 H new ATOM 0 HH TYR A 50 7.859 7.834 -5.818 1.00 0.00 H new ATOM 845 N CYS A 51 7.927 2.135 -1.297 1.00 0.00 N ATOM 846 CA CYS A 51 7.642 1.170 -2.354 1.00 0.00 C ATOM 847 C CYS A 51 6.140 0.952 -2.502 1.00 0.00 C ATOM 848 O CYS A 51 5.376 1.168 -1.561 1.00 0.00 O ATOM 849 CB CYS A 51 8.337 -0.160 -2.058 1.00 0.00 C ATOM 850 SG CYS A 51 7.486 -1.180 -0.832 1.00 0.00 S ATOM 0 H CYS A 51 7.380 2.002 -0.446 1.00 0.00 H new ATOM 0 HA CYS A 51 8.025 1.571 -3.292 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.427 -0.725 -2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.349 0.041 -1.708 1.00 0.00 H new ATOM 0 HG CYS A 51 6.795 -2.100 -1.437 1.00 0.00 H new ATOM 856 N PHE A 52 5.724 0.523 -3.688 1.00 0.00 N ATOM 857 CA PHE A 52 4.313 0.278 -3.960 1.00 0.00 C ATOM 858 C PHE A 52 4.023 -1.219 -4.026 1.00 0.00 C ATOM 859 O PHE A 52 4.801 -1.988 -4.589 1.00 0.00 O ATOM 860 CB PHE A 52 3.901 0.948 -5.273 1.00 0.00 C ATOM 861 CG PHE A 52 3.959 2.447 -5.226 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.304 3.148 -4.225 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.668 3.157 -6.181 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.356 4.528 -4.180 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.724 4.538 -6.141 1.00 0.00 C ATOM 866 CZ PHE A 52 4.067 5.224 -5.138 1.00 0.00 C ATOM 0 H PHE A 52 6.344 0.338 -4.477 1.00 0.00 H new ATOM 0 HA PHE A 52 3.732 0.706 -3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.551 0.592 -6.072 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.887 0.640 -5.526 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.747 2.610 -3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.184 2.625 -6.967 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.841 5.062 -3.396 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.280 5.079 -6.892 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.109 6.303 -5.103 1.00 0.00 H new ATOM 876 N VAL A 53 2.898 -1.623 -3.446 1.00 0.00 N ATOM 877 CA VAL A 53 2.504 -3.027 -3.439 1.00 0.00 C ATOM 878 C VAL A 53 1.100 -3.208 -4.007 1.00 0.00 C ATOM 879 O VAL A 53 0.121 -2.745 -3.423 1.00 0.00 O ATOM 880 CB VAL A 53 2.550 -3.616 -2.016 1.00 0.00 C ATOM 881 CG1 VAL A 53 1.867 -4.974 -1.979 1.00 0.00 C ATOM 882 CG2 VAL A 53 3.987 -3.719 -1.529 1.00 0.00 C ATOM 0 H VAL A 53 2.243 -0.999 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 53 3.218 -3.559 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 53 2.011 -2.946 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.909 -5.375 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.826 -4.866 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.376 -5.656 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.001 -4.137 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.553 -4.367 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.439 -2.727 -1.516 1.00 0.00 H new ATOM 892 N GLU A 54 1.012 -3.883 -5.148 1.00 0.00 N ATOM 893 CA GLU A 54 -0.272 -4.123 -5.795 1.00 0.00 C ATOM 894 C GLU A 54 -0.719 -5.569 -5.596 1.00 0.00 C ATOM 895 O GLU A 54 0.041 -6.505 -5.845 1.00 0.00 O ATOM 896 CB GLU A 54 -0.184 -3.806 -7.289 1.00 0.00 C ATOM 897 CG GLU A 54 -1.527 -3.840 -8.000 1.00 0.00 C ATOM 898 CD GLU A 54 -1.408 -3.563 -9.486 1.00 0.00 C ATOM 899 OE1 GLU A 54 -0.786 -2.543 -9.852 1.00 0.00 O ATOM 900 OE2 GLU A 54 -1.936 -4.366 -10.283 1.00 0.00 O ATOM 0 H GLU A 54 1.814 -4.273 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.010 -3.465 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.260 -2.819 -7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.487 -4.521 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.987 -4.817 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.191 -3.103 -7.549 1.00 0.00 H new ATOM 907 N PHE A 55 -1.958 -5.743 -5.147 1.00 0.00 N ATOM 908 CA PHE A 55 -2.505 -7.074 -4.913 1.00 0.00 C ATOM 909 C PHE A 55 -3.464 -7.472 -6.032 1.00 0.00 C ATOM 910 O PHE A 55 -3.887 -6.634 -6.829 1.00 0.00 O ATOM 911 CB PHE A 55 -3.230 -7.121 -3.567 1.00 0.00 C ATOM 912 CG PHE A 55 -2.311 -7.353 -2.400 1.00 0.00 C ATOM 913 CD1 PHE A 55 -2.014 -8.639 -1.980 1.00 0.00 C ATOM 914 CD2 PHE A 55 -1.746 -6.283 -1.724 1.00 0.00 C ATOM 915 CE1 PHE A 55 -1.170 -8.855 -0.908 1.00 0.00 C ATOM 916 CE2 PHE A 55 -0.901 -6.493 -0.651 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.613 -7.781 -0.242 1.00 0.00 C ATOM 0 H PHE A 55 -2.601 -4.980 -4.938 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.677 -7.782 -4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.764 -6.183 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.978 -7.913 -3.593 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.447 -9.483 -2.497 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.969 -5.274 -2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.946 -9.863 -0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.466 -5.651 -0.133 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.046 -7.948 0.597 1.00 0.00 H new ATOM 927 N TYR A 56 -3.801 -8.756 -6.086 1.00 0.00 N ATOM 928 CA TYR A 56 -4.707 -9.266 -7.108 1.00 0.00 C ATOM 929 C TYR A 56 -6.144 -8.841 -6.824 1.00 0.00 C ATOM 930 O TYR A 56 -6.885 -8.471 -7.735 1.00 0.00 O ATOM 931 CB TYR A 56 -4.619 -10.791 -7.181 1.00 0.00 C ATOM 932 CG TYR A 56 -3.437 -11.292 -7.982 1.00 0.00 C ATOM 933 CD1 TYR A 56 -2.157 -11.289 -7.444 1.00 0.00 C ATOM 934 CD2 TYR A 56 -3.603 -11.768 -9.277 1.00 0.00 C ATOM 935 CE1 TYR A 56 -1.075 -11.745 -8.172 1.00 0.00 C ATOM 936 CE2 TYR A 56 -2.528 -12.226 -10.013 1.00 0.00 C ATOM 937 CZ TYR A 56 -1.266 -12.213 -9.456 1.00 0.00 C ATOM 938 OH TYR A 56 -0.191 -12.669 -10.184 1.00 0.00 O ATOM 0 H TYR A 56 -3.460 -9.462 -5.434 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.406 -8.845 -8.067 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.558 -11.192 -6.169 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.537 -11.179 -7.622 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.005 -10.924 -6.439 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.590 -11.780 -9.715 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.086 -11.735 -7.739 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.674 -12.592 -11.018 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.496 -12.964 -11.067 1.00 0.00 H new ATOM 948 N GLU A 57 -6.531 -8.897 -5.553 1.00 0.00 N ATOM 949 CA GLU A 57 -7.880 -8.520 -5.148 1.00 0.00 C ATOM 950 C GLU A 57 -7.842 -7.435 -4.075 1.00 0.00 C ATOM 951 O GLU A 57 -6.792 -7.157 -3.495 1.00 0.00 O ATOM 952 CB GLU A 57 -8.641 -9.741 -4.628 1.00 0.00 C ATOM 953 CG GLU A 57 -8.476 -10.977 -5.496 1.00 0.00 C ATOM 954 CD GLU A 57 -9.672 -11.904 -5.424 1.00 0.00 C ATOM 955 OE1 GLU A 57 -9.945 -12.440 -4.330 1.00 0.00 O ATOM 956 OE2 GLU A 57 -10.339 -12.094 -6.463 1.00 0.00 O ATOM 0 H GLU A 57 -5.930 -9.200 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.397 -8.125 -6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.299 -9.968 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.701 -9.495 -4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.320 -10.672 -6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.582 -11.518 -5.185 1.00 0.00 H new ATOM 963 N HIS A 58 -8.994 -6.824 -3.819 1.00 0.00 N ATOM 964 CA HIS A 58 -9.094 -5.769 -2.816 1.00 0.00 C ATOM 965 C HIS A 58 -9.025 -6.351 -1.407 1.00 0.00 C ATOM 966 O HIS A 58 -8.487 -5.725 -0.494 1.00 0.00 O ATOM 967 CB HIS A 58 -10.396 -4.988 -2.995 1.00 0.00 C ATOM 968 CG HIS A 58 -10.656 -4.000 -1.900 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.191 -2.703 -1.931 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.340 -4.125 -0.739 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.576 -2.073 -0.835 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.275 -2.914 -0.096 1.00 0.00 N ATOM 0 H HIS A 58 -9.871 -7.041 -4.292 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.251 -5.091 -2.952 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.366 -4.461 -3.949 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.228 -5.691 -3.045 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.636 -2.293 -2.683 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.843 -5.012 -0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.356 -1.045 -0.586 1.00 0.00 H new ATOM 980 N ARG A 59 -9.573 -7.550 -1.240 1.00 0.00 N ATOM 981 CA ARG A 59 -9.575 -8.213 0.059 1.00 0.00 C ATOM 982 C ARG A 59 -8.150 -8.417 0.567 1.00 0.00 C ATOM 983 O ARG A 59 -7.874 -8.245 1.755 1.00 0.00 O ATOM 984 CB ARG A 59 -10.291 -9.562 -0.036 1.00 0.00 C ATOM 985 CG ARG A 59 -9.613 -10.548 -0.973 1.00 0.00 C ATOM 986 CD ARG A 59 -10.361 -11.872 -1.024 1.00 0.00 C ATOM 987 NE ARG A 59 -10.101 -12.692 0.156 1.00 0.00 N ATOM 988 CZ ARG A 59 -9.047 -13.493 0.277 1.00 0.00 C ATOM 989 NH1 ARG A 59 -8.159 -13.578 -0.704 1.00 0.00 N ATOM 990 NH2 ARG A 59 -8.880 -14.209 1.382 1.00 0.00 N ATOM 0 H ARG A 59 -10.021 -8.082 -1.986 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.107 -7.575 0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.351 -10.002 0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.314 -9.397 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.558 -10.121 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.589 -10.720 -0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.431 -11.681 -1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.067 -12.421 -1.919 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.764 -12.648 0.930 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.284 -13.028 -1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.351 -14.193 -0.609 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.561 -14.145 2.139 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.071 -14.823 1.474 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.252 -8.785 -0.339 1.00 0.00 N ATOM 1005 CA ASP A 60 -5.856 -9.012 0.017 1.00 0.00 C ATOM 1006 C ASP A 60 -5.157 -7.696 0.344 1.00 0.00 C ATOM 1007 O ASP A 60 -4.455 -7.586 1.349 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.125 -9.722 -1.124 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.942 -10.850 -1.721 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.264 -11.805 -0.984 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -6.260 -10.779 -2.927 1.00 0.00 O ATOM 0 H ASP A 60 -7.465 -8.933 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.832 -9.646 0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.885 -8.999 -1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.179 -10.118 -0.755 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.354 -6.700 -0.514 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.744 -5.390 -0.316 1.00 0.00 C ATOM 1018 C ALA A 61 -5.146 -4.794 1.029 1.00 0.00 C ATOM 1019 O ALA A 61 -4.315 -4.240 1.746 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.131 -4.451 -1.449 1.00 0.00 C ATOM 0 H ALA A 61 -5.931 -6.775 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.661 -5.517 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.669 -3.477 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.787 -4.864 -2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.215 -4.338 -1.474 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.427 -4.912 1.364 1.00 0.00 N ATOM 1027 CA ALA A 62 -6.939 -4.387 2.623 1.00 0.00 C ATOM 1028 C ALA A 62 -6.364 -5.150 3.812 1.00 0.00 C ATOM 1029 O ALA A 62 -5.973 -4.554 4.814 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.460 -4.446 2.641 1.00 0.00 C ATOM 0 H ALA A 62 -7.129 -5.367 0.780 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.626 -3.346 2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.828 -4.051 3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.857 -3.850 1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.785 -5.480 2.529 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.316 -6.473 3.691 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.787 -7.317 4.756 1.00 0.00 C ATOM 1038 C ALA A 63 -4.305 -7.043 4.989 1.00 0.00 C ATOM 1039 O ALA A 63 -3.868 -6.872 6.126 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.009 -8.786 4.423 1.00 0.00 C ATOM 0 H ALA A 63 -6.636 -6.983 2.868 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.322 -7.079 5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.610 -9.405 5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.077 -8.977 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.500 -9.029 3.490 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.537 -7.004 3.905 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.105 -6.749 3.991 1.00 0.00 C ATOM 1048 C ALA A 64 -1.828 -5.309 4.408 1.00 0.00 C ATOM 1049 O ALA A 64 -0.856 -5.032 5.113 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.433 -7.056 2.661 1.00 0.00 C ATOM 0 H ALA A 64 -3.883 -7.146 2.956 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.689 -7.406 4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.364 -6.861 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.593 -8.104 2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.861 -6.424 1.883 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.685 -4.396 3.967 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.532 -2.982 4.294 1.00 0.00 C ATOM 1058 C LEU A 65 -2.604 -2.760 5.801 1.00 0.00 C ATOM 1059 O LEU A 65 -1.733 -2.118 6.387 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.613 -2.157 3.593 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.805 -0.729 4.106 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.743 0.194 3.529 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.199 -0.222 3.763 1.00 0.00 C ATOM 0 H LEU A 65 -3.493 -4.609 3.382 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.552 -2.658 3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.375 -2.111 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.562 -2.685 3.685 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.699 -0.736 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.896 1.205 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.755 -0.158 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.815 0.197 2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.318 0.795 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.333 -0.230 2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.945 -0.868 4.226 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.648 -3.298 6.424 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.832 -3.163 7.864 1.00 0.00 C ATOM 1077 C ALA A 66 -2.765 -3.938 8.629 1.00 0.00 C ATOM 1078 O ALA A 66 -2.226 -3.455 9.624 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.221 -3.636 8.265 1.00 0.00 C ATOM 0 H ALA A 66 -4.379 -3.831 5.954 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.731 -2.109 8.121 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.345 -3.530 9.343 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.972 -3.035 7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.343 -4.683 7.987 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.465 -5.145 8.157 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.462 -5.987 8.796 1.00 0.00 C ATOM 1087 C ALA A 67 -0.074 -5.361 8.694 1.00 0.00 C ATOM 1088 O ALA A 67 0.721 -5.438 9.631 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.463 -7.375 8.173 1.00 0.00 C ATOM 0 H ALA A 67 -2.903 -5.560 7.335 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.717 -6.074 9.852 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.709 -7.993 8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.445 -7.831 8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.236 -7.297 7.110 1.00 0.00 H new ATOM 1095 N MET A 68 0.208 -4.742 7.554 1.00 0.00 N ATOM 1096 CA MET A 68 1.500 -4.102 7.330 1.00 0.00 C ATOM 1097 C MET A 68 1.463 -2.639 7.758 1.00 0.00 C ATOM 1098 O MET A 68 2.504 -2.004 7.924 1.00 0.00 O ATOM 1099 CB MET A 68 1.897 -4.205 5.857 1.00 0.00 C ATOM 1100 CG MET A 68 1.991 -5.636 5.352 1.00 0.00 C ATOM 1101 SD MET A 68 3.228 -6.605 6.236 1.00 0.00 S ATOM 1102 CE MET A 68 4.696 -5.619 5.955 1.00 0.00 C ATOM 0 H MET A 68 -0.440 -4.669 6.770 1.00 0.00 H new ATOM 0 HA MET A 68 2.244 -4.621 7.935 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.169 -3.663 5.254 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.859 -3.714 5.713 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.018 -6.117 5.453 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.234 -5.627 4.289 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.478 -6.245 5.525 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.462 -4.806 5.267 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.043 -5.205 6.902 1.00 0.00 H new ATOM 1112 N ASN A 69 0.257 -2.109 7.935 1.00 0.00 N ATOM 1113 CA ASN A 69 0.084 -0.719 8.342 1.00 0.00 C ATOM 1114 C ASN A 69 0.834 -0.436 9.641 1.00 0.00 C ATOM 1115 O ASN A 69 0.370 -0.784 10.725 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.401 -0.398 8.517 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.633 0.762 9.465 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -1.865 0.566 10.658 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.574 1.979 8.938 1.00 0.00 N ATOM 0 H ASN A 69 -0.615 -2.621 7.803 1.00 0.00 H new ATOM 0 HA ASN A 69 0.496 -0.083 7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.836 -0.163 7.546 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.919 -1.280 8.893 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.724 2.798 9.527 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.379 2.095 7.944 1.00 0.00 H new ATOM 1126 N GLY A 70 1.995 0.199 9.520 1.00 0.00 N ATOM 1127 CA GLY A 70 2.791 0.519 10.692 1.00 0.00 C ATOM 1128 C GLY A 70 3.402 -0.712 11.331 1.00 0.00 C ATOM 1129 O GLY A 70 3.510 -0.795 12.555 1.00 0.00 O ATOM 0 H GLY A 70 2.399 0.498 8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.585 1.211 10.410 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.166 1.032 11.423 1.00 0.00 H new ATOM 1133 N ARG A 71 3.801 -1.672 10.503 1.00 0.00 N ATOM 1134 CA ARG A 71 4.401 -2.905 10.996 1.00 0.00 C ATOM 1135 C ARG A 71 5.898 -2.725 11.230 1.00 0.00 C ATOM 1136 O ARG A 71 6.529 -1.847 10.641 1.00 0.00 O ATOM 1137 CB ARG A 71 4.163 -4.045 10.003 1.00 0.00 C ATOM 1138 CG ARG A 71 4.209 -5.425 10.638 1.00 0.00 C ATOM 1139 CD ARG A 71 4.223 -6.523 9.585 1.00 0.00 C ATOM 1140 NE ARG A 71 4.052 -7.848 10.174 1.00 0.00 N ATOM 1141 CZ ARG A 71 4.359 -8.976 9.544 1.00 0.00 C ATOM 1142 NH1 ARG A 71 4.849 -8.941 8.313 1.00 0.00 N ATOM 1143 NH2 ARG A 71 4.177 -10.145 10.147 1.00 0.00 N ATOM 0 H ARG A 71 3.719 -1.619 9.488 1.00 0.00 H new ATOM 0 HA ARG A 71 3.929 -3.155 11.946 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.192 -3.905 9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.914 -3.992 9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.097 -5.509 11.265 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.345 -5.556 11.290 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.427 -6.342 8.862 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.165 -6.488 9.038 1.00 0.00 H new ATOM 0 HE ARG A 71 3.677 -7.911 11.120 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.992 -8.045 7.846 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.084 -9.810 7.833 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.801 -10.177 11.095 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.413 -11.011 9.662 1.00 0.00 H new ATOM 1157 N LYS A 72 6.460 -3.564 12.094 1.00 0.00 N ATOM 1158 CA LYS A 72 7.883 -3.498 12.407 1.00 0.00 C ATOM 1159 C LYS A 72 8.688 -4.397 11.472 1.00 0.00 C ATOM 1160 O LYS A 72 8.527 -5.617 11.477 1.00 0.00 O ATOM 1161 CB LYS A 72 8.127 -3.911 13.860 1.00 0.00 C ATOM 1162 CG LYS A 72 8.039 -2.756 14.842 1.00 0.00 C ATOM 1163 CD LYS A 72 9.392 -2.098 15.051 1.00 0.00 C ATOM 1164 CE LYS A 72 9.676 -1.056 13.980 1.00 0.00 C ATOM 1165 NZ LYS A 72 10.539 0.045 14.491 1.00 0.00 N ATOM 0 H LYS A 72 5.952 -4.297 12.589 1.00 0.00 H new ATOM 0 HA LYS A 72 8.212 -2.468 12.267 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.398 -4.672 14.140 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.113 -4.370 13.938 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.327 -2.017 14.474 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.658 -3.117 15.797 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.421 -1.628 16.034 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.173 -2.858 15.037 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.162 -1.533 13.129 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.735 -0.642 13.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.183 0.957 14.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.523 0.044 15.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.515 -0.096 14.160 1.00 0.00 H new ATOM 1179 N ILE A 73 9.554 -3.784 10.671 1.00 0.00 N ATOM 1180 CA ILE A 73 10.384 -4.529 9.733 1.00 0.00 C ATOM 1181 C ILE A 73 11.836 -4.066 9.796 1.00 0.00 C ATOM 1182 O ILE A 73 12.135 -2.892 9.569 1.00 0.00 O ATOM 1183 CB ILE A 73 9.873 -4.382 8.288 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.429 -4.880 8.182 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.773 -5.144 7.327 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.764 -4.527 6.871 1.00 0.00 C ATOM 0 H ILE A 73 9.699 -2.774 10.653 1.00 0.00 H new ATOM 0 HA ILE A 73 10.326 -5.578 10.025 1.00 0.00 H new ATOM 0 HB ILE A 73 9.895 -3.327 8.016 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.416 -5.963 8.307 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.846 -4.458 9.001 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.398 -5.030 6.310 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.787 -4.748 7.387 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.780 -6.201 7.595 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.744 -4.911 6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.745 -3.444 6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.323 -4.972 6.048 1.00 0.00 H new ATOM 1198 N LEU A 74 12.735 -4.995 10.104 1.00 0.00 N ATOM 1199 CA LEU A 74 14.157 -4.682 10.194 1.00 0.00 C ATOM 1200 C LEU A 74 14.416 -3.629 11.266 1.00 0.00 C ATOM 1201 O LEU A 74 15.342 -2.826 11.151 1.00 0.00 O ATOM 1202 CB LEU A 74 14.678 -4.190 8.843 1.00 0.00 C ATOM 1203 CG LEU A 74 14.680 -5.216 7.710 1.00 0.00 C ATOM 1204 CD1 LEU A 74 15.131 -4.573 6.407 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.574 -6.397 8.061 1.00 0.00 C ATOM 0 H LEU A 74 12.505 -5.970 10.295 1.00 0.00 H new ATOM 0 HA LEU A 74 14.687 -5.593 10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.075 -3.337 8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.697 -3.827 8.979 1.00 0.00 H new ATOM 0 HG LEU A 74 13.662 -5.583 7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.126 -5.319 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.451 -3.762 6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.140 -4.177 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.563 -7.117 7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.593 -6.046 8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.206 -6.874 8.969 1.00 0.00 H new ATOM 1217 N GLY A 75 13.592 -3.639 12.310 1.00 0.00 N ATOM 1218 CA GLY A 75 13.750 -2.681 13.389 1.00 0.00 C ATOM 1219 C GLY A 75 13.180 -1.320 13.043 1.00 0.00 C ATOM 1220 O GLY A 75 13.276 -0.380 13.833 1.00 0.00 O ATOM 0 H GLY A 75 12.818 -4.293 12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.257 -3.061 14.284 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.809 -2.578 13.628 1.00 0.00 H new ATOM 1224 N LYS A 76 12.585 -1.212 11.860 1.00 0.00 N ATOM 1225 CA LYS A 76 11.997 0.044 11.411 1.00 0.00 C ATOM 1226 C LYS A 76 10.515 -0.131 11.096 1.00 0.00 C ATOM 1227 O LYS A 76 10.134 -1.011 10.326 1.00 0.00 O ATOM 1228 CB LYS A 76 12.733 0.561 10.173 1.00 0.00 C ATOM 1229 CG LYS A 76 12.699 2.074 10.033 1.00 0.00 C ATOM 1230 CD LYS A 76 13.604 2.550 8.910 1.00 0.00 C ATOM 1231 CE LYS A 76 13.881 4.042 9.012 1.00 0.00 C ATOM 1232 NZ LYS A 76 12.749 4.854 8.486 1.00 0.00 N ATOM 0 H LYS A 76 12.497 -1.980 11.194 1.00 0.00 H new ATOM 0 HA LYS A 76 12.096 0.771 12.217 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.771 0.231 10.214 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.291 0.112 9.284 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.677 2.400 9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.009 2.534 10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.545 2.001 8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.139 2.330 7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.065 4.307 10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.788 4.282 8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.122 5.654 7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.152 4.262 7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.182 5.214 9.280 1.00 0.00 H new ATOM 1246 N GLU A 77 9.683 0.714 11.699 1.00 0.00 N ATOM 1247 CA GLU A 77 8.243 0.651 11.483 1.00 0.00 C ATOM 1248 C GLU A 77 7.872 1.230 10.120 1.00 0.00 C ATOM 1249 O GLU A 77 8.136 2.399 9.837 1.00 0.00 O ATOM 1250 CB GLU A 77 7.504 1.408 12.588 1.00 0.00 C ATOM 1251 CG GLU A 77 6.124 0.850 12.892 1.00 0.00 C ATOM 1252 CD GLU A 77 5.205 1.879 13.521 1.00 0.00 C ATOM 1253 OE1 GLU A 77 5.078 2.986 12.955 1.00 0.00 O ATOM 1254 OE2 GLU A 77 4.612 1.578 14.579 1.00 0.00 O ATOM 0 H GLU A 77 9.982 1.449 12.340 1.00 0.00 H new ATOM 0 HA GLU A 77 7.944 -0.397 11.508 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.105 1.384 13.497 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.407 2.454 12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.674 0.481 11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.221 -0.004 13.563 1.00 0.00 H new ATOM 1261 N VAL A 78 7.259 0.403 9.279 1.00 0.00 N ATOM 1262 CA VAL A 78 6.851 0.832 7.947 1.00 0.00 C ATOM 1263 C VAL A 78 5.382 1.237 7.926 1.00 0.00 C ATOM 1264 O VAL A 78 4.533 0.567 8.514 1.00 0.00 O ATOM 1265 CB VAL A 78 7.081 -0.279 6.905 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.396 -0.996 7.169 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.918 -1.261 6.909 1.00 0.00 C ATOM 0 H VAL A 78 7.034 -0.568 9.497 1.00 0.00 H new ATOM 0 HA VAL A 78 7.466 1.694 7.690 1.00 0.00 H new ATOM 0 HB VAL A 78 7.137 0.179 5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.541 -1.777 6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.218 -0.282 7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.373 -1.443 8.163 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.097 -2.039 6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.828 -1.714 7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.996 -0.733 6.667 1.00 0.00 H new ATOM 1277 N LYS A 79 5.087 2.339 7.243 1.00 0.00 N ATOM 1278 CA LYS A 79 3.720 2.835 7.143 1.00 0.00 C ATOM 1279 C LYS A 79 3.087 2.420 5.818 1.00 0.00 C ATOM 1280 O LYS A 79 3.674 2.606 4.752 1.00 0.00 O ATOM 1281 CB LYS A 79 3.697 4.359 7.277 1.00 0.00 C ATOM 1282 CG LYS A 79 4.436 5.078 6.161 1.00 0.00 C ATOM 1283 CD LYS A 79 4.234 6.583 6.238 1.00 0.00 C ATOM 1284 CE LYS A 79 5.204 7.226 7.217 1.00 0.00 C ATOM 1285 NZ LYS A 79 4.776 7.031 8.629 1.00 0.00 N ATOM 0 H LYS A 79 5.778 2.905 6.750 1.00 0.00 H new ATOM 0 HA LYS A 79 3.140 2.397 7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.661 4.699 7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.139 4.638 8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.500 4.849 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.085 4.712 5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.370 7.021 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.210 6.799 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.198 6.800 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.281 8.292 7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.949 7.904 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.762 6.803 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.318 6.250 9.051 1.00 0.00 H new ATOM 1299 N VAL A 80 1.884 1.858 5.892 1.00 0.00 N ATOM 1300 CA VAL A 80 1.170 1.420 4.699 1.00 0.00 C ATOM 1301 C VAL A 80 -0.213 2.058 4.620 1.00 0.00 C ATOM 1302 O VAL A 80 -1.011 1.949 5.549 1.00 0.00 O ATOM 1303 CB VAL A 80 1.019 -0.112 4.667 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.528 -0.572 3.302 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.336 -0.784 5.023 1.00 0.00 C ATOM 0 H VAL A 80 1.384 1.696 6.766 1.00 0.00 H new ATOM 0 HA VAL A 80 1.763 1.738 3.841 1.00 0.00 H new ATOM 0 HB VAL A 80 0.276 -0.402 5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.427 -1.657 3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.440 -0.117 3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.244 -0.272 2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.211 -1.866 4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.101 -0.489 4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.641 -0.479 6.024 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.487 2.724 3.503 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.774 3.381 3.303 1.00 0.00 C ATOM 1317 C ASN A 81 -2.264 3.191 1.870 1.00 0.00 C ATOM 1318 O ASN A 81 -1.488 2.848 0.978 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.665 4.873 3.622 1.00 0.00 C ATOM 1320 CG ASN A 81 -3.021 5.528 3.800 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -3.881 5.015 4.515 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.218 6.666 3.145 1.00 0.00 N ATOM 0 H ASN A 81 0.164 2.823 2.724 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.496 2.924 3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.079 5.005 4.531 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.125 5.375 2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.112 7.152 3.224 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.476 7.055 2.563 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.555 3.417 1.658 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.149 3.272 0.333 1.00 0.00 C ATOM 1331 C TRP A 82 -3.571 4.296 -0.637 1.00 0.00 C ATOM 1332 O TRP A 82 -3.687 5.502 -0.424 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.668 3.427 0.413 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.350 2.269 1.077 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -6.860 2.234 2.343 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.594 0.978 0.507 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.406 0.999 2.595 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.257 0.211 1.485 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.319 0.396 -0.734 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.646 -1.107 1.259 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.706 -0.911 -0.956 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.364 -1.651 0.035 1.00 0.00 C ATOM 0 H TRP A 82 -4.211 3.701 2.386 1.00 0.00 H new ATOM 0 HA TRP A 82 -3.912 2.275 -0.037 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.904 4.340 0.959 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.067 3.546 -0.594 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -6.837 3.056 3.043 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.851 0.715 3.468 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.813 0.958 -1.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.152 -1.679 2.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.498 -1.371 -1.911 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.654 -2.671 -0.171 1.00 0.00 H new ATOM 1353 N ALA A 83 -2.948 3.806 -1.705 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.355 4.680 -2.709 1.00 0.00 C ATOM 1355 C ALA A 83 -3.427 5.310 -3.592 1.00 0.00 C ATOM 1356 O ALA A 83 -3.845 4.727 -4.592 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.357 3.905 -3.559 1.00 0.00 C ATOM 0 H ALA A 83 -2.841 2.810 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.830 5.483 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.921 4.569 -4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.567 3.508 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.867 3.082 -4.060 1.00 0.00 H new