USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=17 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= -1.54! X(o=-1.5!,f=-1.2) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 27 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.37) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0754 K(o=-0.075,f=-2!) USER MOD Single : A 35 CYS SG : rot -22:sc= 0.369 USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0202) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 45:sc= -0.816 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -118:sc= -4.25! (180deg=-5.4!) USER MOD Single : A 50 TYR OH : rot 15:sc= -0.499 USER MOD Single : A 51 CYS SG : rot 80:sc= -2.56 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -0.722 K(o=-0.72,f=-2.1!) USER MOD Single : A 68 MET CE :methyl 150:sc= -4.46! (180deg=-6.21!) USER MOD Single : A 69 ASN : amide:sc= -0.827 K(o=-0.83,f=-1.5!) USER MOD Single : A 72 LYS NZ :NH3+ -134:sc= 0.164! (180deg=-0.649) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.288) USER MOD Single : A 81 ASN : amide:sc= -0.899 X(o=-0.9,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.693 -0.235 -4.739 1.00 0.00 N ATOM 164 CA PRO A 8 -8.240 -0.041 -4.718 1.00 0.00 C ATOM 165 C PRO A 8 -7.486 -1.341 -4.457 1.00 0.00 C ATOM 166 O PRO A 8 -7.860 -2.121 -3.581 1.00 0.00 O ATOM 167 CB PRO A 8 -8.029 0.941 -3.563 1.00 0.00 C ATOM 168 CG PRO A 8 -9.203 0.733 -2.670 1.00 0.00 C ATOM 169 CD PRO A 8 -10.352 0.378 -3.572 1.00 0.00 C ATOM 0 HA PRO A 8 -7.863 0.319 -5.675 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.094 0.742 -3.040 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.981 1.969 -3.921 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.010 -0.064 -1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.421 1.634 -2.096 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.042 -0.315 -3.090 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.929 1.259 -3.853 1.00 0.00 H new ATOM 177 N ARG A 9 -6.423 -1.567 -5.222 1.00 0.00 N ATOM 178 CA ARG A 9 -5.618 -2.773 -5.073 1.00 0.00 C ATOM 179 C ARG A 9 -4.140 -2.425 -4.922 1.00 0.00 C ATOM 180 O ARG A 9 -3.277 -3.303 -4.953 1.00 0.00 O ATOM 181 CB ARG A 9 -5.815 -3.695 -6.278 1.00 0.00 C ATOM 182 CG ARG A 9 -7.155 -4.412 -6.284 1.00 0.00 C ATOM 183 CD ARG A 9 -7.353 -5.212 -7.562 1.00 0.00 C ATOM 184 NE ARG A 9 -7.298 -4.367 -8.751 1.00 0.00 N ATOM 185 CZ ARG A 9 -6.166 -4.022 -9.355 1.00 0.00 C ATOM 186 NH1 ARG A 9 -5.002 -4.448 -8.885 1.00 0.00 N ATOM 187 NH2 ARG A 9 -6.197 -3.249 -10.433 1.00 0.00 N ATOM 0 H ARG A 9 -6.099 -0.931 -5.951 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.946 -3.290 -4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.722 -3.109 -7.192 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.016 -4.436 -6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.216 -5.078 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.959 -3.683 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.585 -5.983 -7.630 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.315 -5.723 -7.524 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.176 -4.023 -9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.973 -5.043 -8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.135 -4.181 -9.351 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.090 -2.919 -10.799 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.328 -2.985 -10.896 1.00 0.00 H new ATOM 201 N THR A 10 -3.855 -1.137 -4.758 1.00 0.00 N ATOM 202 CA THR A 10 -2.482 -0.671 -4.604 1.00 0.00 C ATOM 203 C THR A 10 -2.278 0.001 -3.251 1.00 0.00 C ATOM 204 O THR A 10 -3.125 0.770 -2.795 1.00 0.00 O ATOM 205 CB THR A 10 -2.096 0.318 -5.720 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.577 -0.155 -6.983 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.587 0.500 -5.783 1.00 0.00 C ATOM 0 H THR A 10 -4.557 -0.398 -4.728 1.00 0.00 H new ATOM 0 HA THR A 10 -1.840 -1.550 -4.670 1.00 0.00 H new ATOM 0 HB THR A 10 -2.554 1.281 -5.495 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.329 0.481 -7.686 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.338 1.203 -6.578 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.227 0.888 -4.830 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.113 -0.460 -5.986 1.00 0.00 H new ATOM 215 N LEU A 11 -1.150 -0.292 -2.614 1.00 0.00 N ATOM 216 CA LEU A 11 -0.835 0.285 -1.312 1.00 0.00 C ATOM 217 C LEU A 11 0.544 0.937 -1.326 1.00 0.00 C ATOM 218 O LEU A 11 1.469 0.443 -1.971 1.00 0.00 O ATOM 219 CB LEU A 11 -0.893 -0.792 -0.228 1.00 0.00 C ATOM 220 CG LEU A 11 -1.938 -1.889 -0.427 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.619 -3.095 0.445 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.331 -1.361 -0.118 1.00 0.00 C ATOM 0 H LEU A 11 -0.438 -0.926 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.577 1.053 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.088 -1.261 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.083 -0.306 0.729 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.913 -2.203 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.374 -3.866 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.638 -3.488 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.616 -2.796 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.062 -2.156 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.369 -1.019 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.561 -0.529 -0.784 1.00 0.00 H new ATOM 234 N TYR A 12 0.676 2.047 -0.608 1.00 0.00 N ATOM 235 CA TYR A 12 1.942 2.766 -0.537 1.00 0.00 C ATOM 236 C TYR A 12 2.671 2.457 0.767 1.00 0.00 C ATOM 237 O TYR A 12 2.135 2.662 1.856 1.00 0.00 O ATOM 238 CB TYR A 12 1.704 4.272 -0.657 1.00 0.00 C ATOM 239 CG TYR A 12 2.752 5.108 0.041 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.696 5.325 1.413 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.800 5.681 -0.670 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.653 6.088 2.055 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.760 6.446 -0.036 1.00 0.00 C ATOM 244 CZ TYR A 12 4.682 6.646 1.327 1.00 0.00 C ATOM 245 OH TYR A 12 5.637 7.406 1.962 1.00 0.00 O ATOM 0 H TYR A 12 -0.079 2.468 -0.067 1.00 0.00 H new ATOM 0 HA TYR A 12 2.566 2.436 -1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.678 4.544 -1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.725 4.511 -0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.891 4.890 1.987 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.865 5.525 -1.737 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.595 6.246 3.122 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.567 6.885 -0.604 1.00 0.00 H new ATOM 0 HH TYR A 12 6.292 7.724 1.306 1.00 0.00 H new ATOM 255 N VAL A 13 3.900 1.962 0.647 1.00 0.00 N ATOM 256 CA VAL A 13 4.705 1.627 1.815 1.00 0.00 C ATOM 257 C VAL A 13 5.815 2.650 2.029 1.00 0.00 C ATOM 258 O VAL A 13 6.678 2.835 1.172 1.00 0.00 O ATOM 259 CB VAL A 13 5.332 0.226 1.680 1.00 0.00 C ATOM 260 CG1 VAL A 13 5.957 -0.208 2.997 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.290 -0.781 1.218 1.00 0.00 C ATOM 0 H VAL A 13 4.359 1.785 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 13 4.036 1.637 2.675 1.00 0.00 H new ATOM 0 HB VAL A 13 6.120 0.270 0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.395 -1.200 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.734 0.501 3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.190 -0.237 3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.750 -1.765 1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.479 -0.825 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.893 -0.476 0.250 1.00 0.00 H new ATOM 271 N GLY A 14 5.788 3.312 3.181 1.00 0.00 N ATOM 272 CA GLY A 14 6.798 4.309 3.489 1.00 0.00 C ATOM 273 C GLY A 14 7.500 4.036 4.804 1.00 0.00 C ATOM 274 O GLY A 14 7.066 3.188 5.583 1.00 0.00 O ATOM 0 H GLY A 14 5.085 3.176 3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.535 4.335 2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.332 5.294 3.527 1.00 0.00 H new ATOM 278 N ASN A 15 8.590 4.755 5.051 1.00 0.00 N ATOM 279 CA ASN A 15 9.356 4.585 6.280 1.00 0.00 C ATOM 280 C ASN A 15 10.109 3.258 6.273 1.00 0.00 C ATOM 281 O ASN A 15 10.193 2.573 7.293 1.00 0.00 O ATOM 282 CB ASN A 15 8.429 4.651 7.496 1.00 0.00 C ATOM 283 CG ASN A 15 9.146 5.131 8.744 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.108 6.313 9.080 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.805 4.209 9.438 1.00 0.00 N ATOM 0 H ASN A 15 8.963 5.461 4.416 1.00 0.00 H new ATOM 0 HA ASN A 15 10.083 5.395 6.340 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.596 5.320 7.279 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.005 3.664 7.681 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.306 4.471 10.287 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.810 3.239 9.122 1.00 0.00 H new ATOM 292 N LEU A 16 10.655 2.901 5.116 1.00 0.00 N ATOM 293 CA LEU A 16 11.403 1.656 4.974 1.00 0.00 C ATOM 294 C LEU A 16 12.896 1.893 5.171 1.00 0.00 C ATOM 295 O LEU A 16 13.438 2.905 4.729 1.00 0.00 O ATOM 296 CB LEU A 16 11.150 1.040 3.597 1.00 0.00 C ATOM 297 CG LEU A 16 9.684 0.832 3.213 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.530 0.780 1.702 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.140 -0.438 3.851 1.00 0.00 C ATOM 0 H LEU A 16 10.594 3.456 4.262 1.00 0.00 H new ATOM 0 HA LEU A 16 11.059 0.964 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.615 1.678 2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.656 0.076 3.554 1.00 0.00 H new ATOM 0 HG LEU A 16 9.107 1.678 3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.480 0.631 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.879 1.717 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.120 -0.046 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.096 -0.570 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.720 -1.295 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.214 -0.361 4.936 1.00 0.00 H new ATOM 311 N SER A 17 13.557 0.950 5.836 1.00 0.00 N ATOM 312 CA SER A 17 14.988 1.056 6.093 1.00 0.00 C ATOM 313 C SER A 17 15.786 0.889 4.804 1.00 0.00 C ATOM 314 O SER A 17 15.392 0.140 3.910 1.00 0.00 O ATOM 315 CB SER A 17 15.423 0.005 7.116 1.00 0.00 C ATOM 316 OG SER A 17 16.557 0.442 7.844 1.00 0.00 O ATOM 0 H SER A 17 13.124 0.104 6.206 1.00 0.00 H new ATOM 0 HA SER A 17 15.187 2.049 6.496 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.602 -0.200 7.803 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.653 -0.931 6.606 1.00 0.00 H new ATOM 0 HG SER A 17 16.815 -0.246 8.492 1.00 0.00 H new ATOM 322 N ARG A 18 16.909 1.594 4.714 1.00 0.00 N ATOM 323 CA ARG A 18 17.762 1.526 3.535 1.00 0.00 C ATOM 324 C ARG A 18 18.078 0.076 3.175 1.00 0.00 C ATOM 325 O ARG A 18 18.460 -0.224 2.044 1.00 0.00 O ATOM 326 CB ARG A 18 19.061 2.298 3.772 1.00 0.00 C ATOM 327 CG ARG A 18 18.921 3.799 3.579 1.00 0.00 C ATOM 328 CD ARG A 18 20.271 4.460 3.344 1.00 0.00 C ATOM 329 NE ARG A 18 21.147 4.343 4.507 1.00 0.00 N ATOM 330 CZ ARG A 18 22.412 4.745 4.517 1.00 0.00 C ATOM 331 NH1 ARG A 18 22.947 5.288 3.431 1.00 0.00 N ATOM 332 NH2 ARG A 18 23.145 4.607 5.614 1.00 0.00 N ATOM 0 H ARG A 18 17.249 2.219 5.445 1.00 0.00 H new ATOM 0 HA ARG A 18 17.224 1.981 2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.411 2.102 4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.826 1.923 3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.265 3.998 2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.448 4.237 4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.753 4.003 2.480 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.123 5.513 3.106 1.00 0.00 H new ATOM 0 HE ARG A 18 20.766 3.930 5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.386 5.397 2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 18 23.919 5.596 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 18 22.737 4.191 6.451 1.00 0.00 H new ATOM 0 HH22 ARG A 18 24.117 4.916 5.620 1.00 0.00 H new ATOM 346 N ASP A 19 17.916 -0.817 4.145 1.00 0.00 N ATOM 347 CA ASP A 19 18.183 -2.235 3.932 1.00 0.00 C ATOM 348 C ASP A 19 17.016 -2.905 3.214 1.00 0.00 C ATOM 349 O ASP A 19 17.213 -3.785 2.377 1.00 0.00 O ATOM 350 CB ASP A 19 18.448 -2.932 5.266 1.00 0.00 C ATOM 351 CG ASP A 19 19.572 -2.282 6.048 1.00 0.00 C ATOM 352 OD1 ASP A 19 20.356 -1.524 5.439 1.00 0.00 O ATOM 353 OD2 ASP A 19 19.669 -2.530 7.269 1.00 0.00 O ATOM 0 H ASP A 19 17.601 -0.584 5.087 1.00 0.00 H new ATOM 0 HA ASP A 19 19.070 -2.323 3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.538 -2.919 5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.695 -3.978 5.083 1.00 0.00 H new ATOM 358 N VAL A 20 15.802 -2.485 3.551 1.00 0.00 N ATOM 359 CA VAL A 20 14.602 -3.045 2.939 1.00 0.00 C ATOM 360 C VAL A 20 14.735 -3.103 1.422 1.00 0.00 C ATOM 361 O VAL A 20 15.225 -2.165 0.793 1.00 0.00 O ATOM 362 CB VAL A 20 13.351 -2.223 3.302 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.169 -2.642 2.441 1.00 0.00 C ATOM 364 CG2 VAL A 20 13.025 -2.376 4.781 1.00 0.00 C ATOM 0 H VAL A 20 15.622 -1.759 4.244 1.00 0.00 H new ATOM 0 HA VAL A 20 14.490 -4.056 3.330 1.00 0.00 H new ATOM 0 HB VAL A 20 13.558 -1.171 3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.294 -2.051 2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.408 -2.477 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.957 -3.699 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.139 -1.789 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.837 -3.426 5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.866 -2.023 5.377 1.00 0.00 H new ATOM 374 N THR A 21 14.295 -4.213 0.837 1.00 0.00 N ATOM 375 CA THR A 21 14.365 -4.395 -0.607 1.00 0.00 C ATOM 376 C THR A 21 12.999 -4.749 -1.184 1.00 0.00 C ATOM 377 O THR A 21 12.081 -5.113 -0.450 1.00 0.00 O ATOM 378 CB THR A 21 15.370 -5.499 -0.986 1.00 0.00 C ATOM 379 OG1 THR A 21 15.231 -6.614 -0.099 1.00 0.00 O ATOM 380 CG2 THR A 21 16.797 -4.974 -0.930 1.00 0.00 C ATOM 0 H THR A 21 13.886 -4.999 1.342 1.00 0.00 H new ATOM 0 HA THR A 21 14.700 -3.447 -1.028 1.00 0.00 H new ATOM 0 HB THR A 21 15.157 -5.819 -2.006 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.872 -7.312 -0.348 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.489 -5.771 -1.201 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.907 -4.144 -1.628 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.019 -4.630 0.080 1.00 0.00 H new ATOM 388 N GLU A 22 12.872 -4.638 -2.503 1.00 0.00 N ATOM 389 CA GLU A 22 11.615 -4.946 -3.177 1.00 0.00 C ATOM 390 C GLU A 22 11.197 -6.389 -2.912 1.00 0.00 C ATOM 391 O GLU A 22 10.032 -6.667 -2.624 1.00 0.00 O ATOM 392 CB GLU A 22 11.748 -4.710 -4.683 1.00 0.00 C ATOM 393 CG GLU A 22 10.569 -5.234 -5.487 1.00 0.00 C ATOM 394 CD GLU A 22 10.758 -6.671 -5.931 1.00 0.00 C ATOM 395 OE1 GLU A 22 10.549 -7.581 -5.101 1.00 0.00 O ATOM 396 OE2 GLU A 22 11.114 -6.885 -7.108 1.00 0.00 O ATOM 0 H GLU A 22 13.622 -4.338 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 22 10.846 -4.284 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.856 -3.641 -4.867 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.661 -5.188 -5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.663 -5.160 -4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.423 -4.603 -6.364 1.00 0.00 H new ATOM 403 N VAL A 23 12.154 -7.306 -3.013 1.00 0.00 N ATOM 404 CA VAL A 23 11.885 -8.721 -2.784 1.00 0.00 C ATOM 405 C VAL A 23 11.456 -8.972 -1.343 1.00 0.00 C ATOM 406 O VAL A 23 10.592 -9.810 -1.077 1.00 0.00 O ATOM 407 CB VAL A 23 13.121 -9.585 -3.099 1.00 0.00 C ATOM 408 CG1 VAL A 23 12.848 -11.046 -2.775 1.00 0.00 C ATOM 409 CG2 VAL A 23 13.529 -9.420 -4.555 1.00 0.00 C ATOM 0 H VAL A 23 13.123 -7.094 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 23 11.074 -9.002 -3.455 1.00 0.00 H new ATOM 0 HB VAL A 23 13.948 -9.248 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.732 -11.641 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.608 -11.145 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.008 -11.400 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.404 -10.037 -4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.707 -9.730 -5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.769 -8.375 -4.749 1.00 0.00 H new ATOM 419 N LEU A 24 12.064 -8.242 -0.414 1.00 0.00 N ATOM 420 CA LEU A 24 11.745 -8.386 1.002 1.00 0.00 C ATOM 421 C LEU A 24 10.279 -8.060 1.265 1.00 0.00 C ATOM 422 O LEU A 24 9.562 -8.839 1.896 1.00 0.00 O ATOM 423 CB LEU A 24 12.641 -7.474 1.842 1.00 0.00 C ATOM 424 CG LEU A 24 12.680 -7.767 3.342 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.751 -6.930 4.022 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.318 -7.508 3.971 1.00 0.00 C ATOM 0 H LEU A 24 12.780 -7.545 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 24 11.924 -9.423 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.657 -7.539 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.311 -6.445 1.702 1.00 0.00 H new ATOM 0 HG LEU A 24 12.928 -8.819 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.764 -7.152 5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.724 -7.165 3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.534 -5.872 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.364 -7.722 5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.041 -6.465 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.573 -8.152 3.504 1.00 0.00 H new ATOM 438 N ILE A 25 9.838 -6.905 0.777 1.00 0.00 N ATOM 439 CA ILE A 25 8.455 -6.479 0.956 1.00 0.00 C ATOM 440 C ILE A 25 7.484 -7.502 0.379 1.00 0.00 C ATOM 441 O ILE A 25 6.512 -7.889 1.029 1.00 0.00 O ATOM 442 CB ILE A 25 8.198 -5.112 0.295 1.00 0.00 C ATOM 443 CG1 ILE A 25 8.919 -4.004 1.064 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.705 -4.830 0.225 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.283 -3.682 2.399 1.00 0.00 C ATOM 0 H ILE A 25 10.418 -6.248 0.255 1.00 0.00 H new ATOM 0 HA ILE A 25 8.288 -6.392 2.030 1.00 0.00 H new ATOM 0 HB ILE A 25 8.592 -5.138 -0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.955 -4.301 1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.938 -3.102 0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.539 -3.860 -0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.215 -5.606 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.289 -4.821 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.847 -2.888 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.255 -3.354 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.288 -4.572 3.029 1.00 0.00 H new ATOM 457 N LEU A 26 7.754 -7.939 -0.847 1.00 0.00 N ATOM 458 CA LEU A 26 6.905 -8.920 -1.513 1.00 0.00 C ATOM 459 C LEU A 26 6.830 -10.213 -0.707 1.00 0.00 C ATOM 460 O LEU A 26 5.816 -10.910 -0.728 1.00 0.00 O ATOM 461 CB LEU A 26 7.435 -9.212 -2.918 1.00 0.00 C ATOM 462 CG LEU A 26 7.081 -8.184 -3.995 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.758 -8.537 -5.311 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.572 -8.100 -4.176 1.00 0.00 C ATOM 0 H LEU A 26 8.554 -7.629 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 26 5.901 -8.502 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.521 -9.295 -2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.056 -10.184 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 26 7.443 -7.208 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.495 -7.796 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.839 -8.547 -5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.425 -9.522 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.338 -7.364 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.187 -9.074 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.109 -7.801 -3.236 1.00 0.00 H new ATOM 476 N GLN A 27 7.911 -10.524 0.003 1.00 0.00 N ATOM 477 CA GLN A 27 7.966 -11.733 0.817 1.00 0.00 C ATOM 478 C GLN A 27 7.011 -11.635 2.002 1.00 0.00 C ATOM 479 O GLN A 27 6.211 -12.539 2.244 1.00 0.00 O ATOM 480 CB GLN A 27 9.393 -11.973 1.313 1.00 0.00 C ATOM 481 CG GLN A 27 10.302 -12.607 0.272 1.00 0.00 C ATOM 482 CD GLN A 27 9.854 -14.001 -0.121 1.00 0.00 C ATOM 483 OE1 GLN A 27 9.495 -14.813 0.731 1.00 0.00 O ATOM 484 NE2 GLN A 27 9.873 -14.284 -1.418 1.00 0.00 N ATOM 0 H GLN A 27 8.758 -9.957 0.031 1.00 0.00 H new ATOM 0 HA GLN A 27 7.659 -12.575 0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.824 -11.023 1.628 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.359 -12.615 2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.329 -11.974 -0.615 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.319 -12.652 0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.178 -13.579 -2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.582 -15.206 -1.743 1.00 0.00 H new ATOM 493 N LEU A 28 7.103 -10.534 2.739 1.00 0.00 N ATOM 494 CA LEU A 28 6.247 -10.317 3.901 1.00 0.00 C ATOM 495 C LEU A 28 4.788 -10.170 3.482 1.00 0.00 C ATOM 496 O LEU A 28 3.897 -10.784 4.070 1.00 0.00 O ATOM 497 CB LEU A 28 6.698 -9.073 4.667 1.00 0.00 C ATOM 498 CG LEU A 28 8.187 -8.998 5.008 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.485 -7.750 5.825 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.625 -10.247 5.760 1.00 0.00 C ATOM 0 H LEU A 28 7.761 -9.777 2.553 1.00 0.00 H new ATOM 0 HA LEU A 28 6.333 -11.187 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.436 -8.194 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.130 -9.017 5.595 1.00 0.00 H new ATOM 0 HG LEU A 28 8.751 -8.941 4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.549 -7.713 6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.209 -6.865 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.911 -7.776 6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.687 -10.177 5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.054 -10.334 6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.448 -11.126 5.140 1.00 0.00 H new ATOM 512 N PHE A 29 4.551 -9.354 2.461 1.00 0.00 N ATOM 513 CA PHE A 29 3.199 -9.126 1.963 1.00 0.00 C ATOM 514 C PHE A 29 2.637 -10.390 1.317 1.00 0.00 C ATOM 515 O PHE A 29 1.436 -10.650 1.380 1.00 0.00 O ATOM 516 CB PHE A 29 3.192 -7.978 0.951 1.00 0.00 C ATOM 517 CG PHE A 29 3.114 -6.620 1.588 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.222 -6.068 2.212 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.934 -5.894 1.562 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.154 -4.818 2.798 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.861 -4.644 2.146 1.00 0.00 C ATOM 522 CZ PHE A 29 2.972 -4.106 2.766 1.00 0.00 C ATOM 0 H PHE A 29 5.277 -8.840 1.962 1.00 0.00 H new ATOM 0 HA PHE A 29 2.567 -8.859 2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.095 -8.034 0.343 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.345 -8.104 0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.149 -6.621 2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.062 -6.310 1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.025 -4.399 3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.936 -4.088 2.118 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.916 -3.130 3.225 1.00 0.00 H new ATOM 532 N SER A 30 3.516 -11.171 0.697 1.00 0.00 N ATOM 533 CA SER A 30 3.108 -12.405 0.036 1.00 0.00 C ATOM 534 C SER A 30 2.470 -13.369 1.031 1.00 0.00 C ATOM 535 O SER A 30 1.479 -14.030 0.723 1.00 0.00 O ATOM 536 CB SER A 30 4.312 -13.071 -0.635 1.00 0.00 C ATOM 537 OG SER A 30 4.068 -14.447 -0.869 1.00 0.00 O ATOM 0 H SER A 30 4.515 -10.971 0.639 1.00 0.00 H new ATOM 0 HA SER A 30 2.369 -12.153 -0.725 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.529 -12.571 -1.579 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.193 -12.957 -0.004 1.00 0.00 H new ATOM 0 HG SER A 30 4.851 -14.849 -1.300 1.00 0.00 H new ATOM 543 N GLN A 31 3.047 -13.444 2.227 1.00 0.00 N ATOM 544 CA GLN A 31 2.535 -14.327 3.267 1.00 0.00 C ATOM 545 C GLN A 31 1.049 -14.084 3.506 1.00 0.00 C ATOM 546 O GLN A 31 0.321 -14.985 3.924 1.00 0.00 O ATOM 547 CB GLN A 31 3.313 -14.122 4.569 1.00 0.00 C ATOM 548 CG GLN A 31 4.785 -14.485 4.461 1.00 0.00 C ATOM 549 CD GLN A 31 5.409 -14.796 5.808 1.00 0.00 C ATOM 550 OE1 GLN A 31 4.709 -14.953 6.808 1.00 0.00 O ATOM 551 NE2 GLN A 31 6.733 -14.886 5.840 1.00 0.00 N ATOM 0 H GLN A 31 3.869 -12.904 2.499 1.00 0.00 H new ATOM 0 HA GLN A 31 2.667 -15.356 2.931 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.226 -13.079 4.874 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.856 -14.724 5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.895 -15.349 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.326 -13.661 3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.274 -14.748 4.986 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.209 -15.093 6.718 1.00 0.00 H new ATOM 560 N ILE A 32 0.604 -12.860 3.238 1.00 0.00 N ATOM 561 CA ILE A 32 -0.795 -12.499 3.423 1.00 0.00 C ATOM 562 C ILE A 32 -1.614 -12.815 2.176 1.00 0.00 C ATOM 563 O ILE A 32 -2.650 -13.476 2.252 1.00 0.00 O ATOM 564 CB ILE A 32 -0.952 -11.004 3.760 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.176 -10.663 5.035 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.422 -10.647 3.917 1.00 0.00 C ATOM 567 CD1 ILE A 32 -0.039 -9.176 5.278 1.00 0.00 C ATOM 0 H ILE A 32 1.193 -12.102 2.892 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.165 -13.092 4.259 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.542 -10.416 2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.678 -11.118 5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.818 -11.107 4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.516 -9.587 4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.949 -10.858 2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.856 -11.239 4.722 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.521 -9.008 6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.490 -8.718 4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.029 -8.730 5.370 1.00 0.00 H new ATOM 579 N GLY A 33 -1.142 -12.340 1.028 1.00 0.00 N ATOM 580 CA GLY A 33 -1.841 -12.584 -0.220 1.00 0.00 C ATOM 581 C GLY A 33 -0.933 -12.462 -1.427 1.00 0.00 C ATOM 582 O GLY A 33 0.214 -12.025 -1.326 1.00 0.00 O ATOM 0 H GLY A 33 -0.287 -11.790 0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.279 -13.582 -0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.665 -11.876 -0.316 1.00 0.00 H new ATOM 586 N PRO A 34 -1.447 -12.856 -2.602 1.00 0.00 N ATOM 587 CA PRO A 34 -0.690 -12.799 -3.856 1.00 0.00 C ATOM 588 C PRO A 34 -0.457 -11.367 -4.327 1.00 0.00 C ATOM 589 O PRO A 34 -1.405 -10.605 -4.522 1.00 0.00 O ATOM 590 CB PRO A 34 -1.587 -13.547 -4.845 1.00 0.00 C ATOM 591 CG PRO A 34 -2.963 -13.407 -4.291 1.00 0.00 C ATOM 592 CD PRO A 34 -2.807 -13.387 -2.795 1.00 0.00 C ATOM 0 HA PRO A 34 0.306 -13.230 -3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.517 -13.118 -5.845 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.298 -14.595 -4.927 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.435 -12.491 -4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.597 -14.236 -4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.557 -12.754 -2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.914 -14.383 -2.366 1.00 0.00 H new ATOM 600 N CYS A 35 0.809 -11.009 -4.509 1.00 0.00 N ATOM 601 CA CYS A 35 1.168 -9.668 -4.957 1.00 0.00 C ATOM 602 C CYS A 35 1.378 -9.638 -6.467 1.00 0.00 C ATOM 603 O CYS A 35 2.181 -10.398 -7.009 1.00 0.00 O ATOM 604 CB CYS A 35 2.433 -9.189 -4.244 1.00 0.00 C ATOM 605 SG CYS A 35 2.286 -9.128 -2.442 1.00 0.00 S ATOM 0 H CYS A 35 1.604 -11.628 -4.353 1.00 0.00 H new ATOM 0 HA CYS A 35 0.345 -8.997 -4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.259 -9.850 -4.508 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.690 -8.195 -4.611 1.00 0.00 H new ATOM 0 HG CYS A 35 1.032 -9.041 -2.112 1.00 0.00 H new ATOM 611 N LYS A 36 0.650 -8.755 -7.144 1.00 0.00 N ATOM 612 CA LYS A 36 0.757 -8.625 -8.592 1.00 0.00 C ATOM 613 C LYS A 36 2.129 -8.094 -8.991 1.00 0.00 C ATOM 614 O LYS A 36 2.830 -8.703 -9.799 1.00 0.00 O ATOM 615 CB LYS A 36 -0.337 -7.695 -9.122 1.00 0.00 C ATOM 616 CG LYS A 36 -0.776 -8.018 -10.540 1.00 0.00 C ATOM 617 CD LYS A 36 -1.827 -9.115 -10.562 1.00 0.00 C ATOM 618 CE LYS A 36 -2.696 -9.030 -11.808 1.00 0.00 C ATOM 619 NZ LYS A 36 -3.698 -7.932 -11.711 1.00 0.00 N ATOM 0 H LYS A 36 -0.020 -8.119 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 36 0.629 -9.614 -9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.202 -7.752 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.024 -6.667 -9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.176 -7.120 -11.011 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.088 -8.329 -11.127 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.339 -10.089 -10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.454 -9.037 -9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.064 -8.869 -12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.211 -9.979 -11.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.367 -8.001 -12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.217 -8.014 -10.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.211 -7.014 -11.747 1.00 0.00 H new ATOM 633 N SER A 37 2.507 -6.955 -8.420 1.00 0.00 N ATOM 634 CA SER A 37 3.795 -6.340 -8.719 1.00 0.00 C ATOM 635 C SER A 37 4.172 -5.320 -7.648 1.00 0.00 C ATOM 636 O SER A 37 3.307 -4.645 -7.088 1.00 0.00 O ATOM 637 CB SER A 37 3.756 -5.665 -10.091 1.00 0.00 C ATOM 638 OG SER A 37 5.044 -5.638 -10.683 1.00 0.00 O ATOM 0 H SER A 37 1.940 -6.439 -7.748 1.00 0.00 H new ATOM 0 HA SER A 37 4.551 -7.125 -8.730 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.064 -6.198 -10.743 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.378 -4.648 -9.989 1.00 0.00 H new ATOM 0 HG SER A 37 4.992 -5.203 -11.560 1.00 0.00 H new ATOM 644 N CYS A 38 5.467 -5.215 -7.370 1.00 0.00 N ATOM 645 CA CYS A 38 5.959 -4.279 -6.367 1.00 0.00 C ATOM 646 C CYS A 38 7.057 -3.391 -6.943 1.00 0.00 C ATOM 647 O CYS A 38 8.008 -3.880 -7.554 1.00 0.00 O ATOM 648 CB CYS A 38 6.485 -5.036 -5.147 1.00 0.00 C ATOM 649 SG CYS A 38 7.421 -4.011 -3.988 1.00 0.00 S ATOM 0 H CYS A 38 6.194 -5.767 -7.825 1.00 0.00 H new ATOM 0 HA CYS A 38 5.128 -3.644 -6.060 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.643 -5.484 -4.620 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.120 -5.854 -5.487 1.00 0.00 H new ATOM 0 HG CYS A 38 6.787 -2.894 -3.787 1.00 0.00 H new ATOM 655 N LYS A 39 6.920 -2.085 -6.746 1.00 0.00 N ATOM 656 CA LYS A 39 7.900 -1.128 -7.246 1.00 0.00 C ATOM 657 C LYS A 39 8.461 -0.278 -6.109 1.00 0.00 C ATOM 658 O LYS A 39 7.759 0.563 -5.548 1.00 0.00 O ATOM 659 CB LYS A 39 7.267 -0.226 -8.307 1.00 0.00 C ATOM 660 CG LYS A 39 8.155 0.932 -8.731 1.00 0.00 C ATOM 661 CD LYS A 39 7.335 2.137 -9.158 1.00 0.00 C ATOM 662 CE LYS A 39 6.978 2.075 -10.634 1.00 0.00 C ATOM 663 NZ LYS A 39 5.685 2.755 -10.922 1.00 0.00 N ATOM 0 H LYS A 39 6.139 -1.664 -6.243 1.00 0.00 H new ATOM 0 HA LYS A 39 8.720 -1.688 -7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.024 -0.826 -9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.328 0.170 -7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.810 1.211 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.796 0.617 -9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.422 2.186 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.896 3.050 -8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.771 2.541 -11.219 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.918 1.033 -10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.478 2.690 -11.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.923 2.295 -10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.750 3.755 -10.645 1.00 0.00 H new ATOM 677 N MET A 40 9.727 -0.503 -5.777 1.00 0.00 N ATOM 678 CA MET A 40 10.381 0.244 -4.709 1.00 0.00 C ATOM 679 C MET A 40 11.068 1.490 -5.259 1.00 0.00 C ATOM 680 O MET A 40 11.966 1.396 -6.096 1.00 0.00 O ATOM 681 CB MET A 40 11.402 -0.639 -3.990 1.00 0.00 C ATOM 682 CG MET A 40 12.337 0.133 -3.074 1.00 0.00 C ATOM 683 SD MET A 40 13.508 -0.935 -2.216 1.00 0.00 S ATOM 684 CE MET A 40 12.561 -1.375 -0.760 1.00 0.00 C ATOM 0 H MET A 40 10.321 -1.196 -6.232 1.00 0.00 H new ATOM 0 HA MET A 40 9.616 0.556 -3.998 1.00 0.00 H new ATOM 0 HB2 MET A 40 10.872 -1.390 -3.404 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.994 -1.174 -4.733 1.00 0.00 H new ATOM 0 HG2 MET A 40 12.886 0.871 -3.660 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.748 0.683 -2.340 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.074 -1.012 0.131 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.571 -0.922 -0.819 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.461 -2.459 -0.705 1.00 0.00 H new ATOM 694 N ILE A 41 10.640 2.655 -4.784 1.00 0.00 N ATOM 695 CA ILE A 41 11.215 3.918 -5.229 1.00 0.00 C ATOM 696 C ILE A 41 12.066 4.550 -4.134 1.00 0.00 C ATOM 697 O ILE A 41 11.564 4.910 -3.069 1.00 0.00 O ATOM 698 CB ILE A 41 10.121 4.916 -5.653 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.005 4.192 -6.407 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.717 6.022 -6.512 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.067 5.126 -7.142 1.00 0.00 C ATOM 0 H ILE A 41 9.897 2.750 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 41 11.844 3.693 -6.090 1.00 0.00 H new ATOM 0 HB ILE A 41 9.695 5.368 -4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.450 3.500 -7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.429 3.594 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.932 6.719 -6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.481 6.553 -5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.166 5.587 -7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.301 4.544 -7.654 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.594 5.801 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.630 5.706 -7.873 1.00 0.00 H new ATOM 810 N PRO A 49 12.861 5.966 2.105 1.00 0.00 N ATOM 811 CA PRO A 49 12.382 5.405 0.838 1.00 0.00 C ATOM 812 C PRO A 49 10.955 4.875 0.943 1.00 0.00 C ATOM 813 O PRO A 49 10.381 4.820 2.030 1.00 0.00 O ATOM 814 CB PRO A 49 13.359 4.259 0.565 1.00 0.00 C ATOM 815 CG PRO A 49 13.871 3.869 1.909 1.00 0.00 C ATOM 816 CD PRO A 49 13.908 5.134 2.721 1.00 0.00 C ATOM 0 HA PRO A 49 12.351 6.154 0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.861 3.423 0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.170 4.578 -0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.222 3.126 2.373 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.863 3.424 1.835 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.701 4.942 3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.885 5.615 2.671 1.00 0.00 H new ATOM 824 N TYR A 50 10.390 4.483 -0.193 1.00 0.00 N ATOM 825 CA TYR A 50 9.031 3.960 -0.230 1.00 0.00 C ATOM 826 C TYR A 50 8.847 3.000 -1.402 1.00 0.00 C ATOM 827 O TYR A 50 9.535 3.106 -2.418 1.00 0.00 O ATOM 828 CB TYR A 50 8.022 5.105 -0.331 1.00 0.00 C ATOM 829 CG TYR A 50 8.049 5.819 -1.664 1.00 0.00 C ATOM 830 CD1 TYR A 50 8.975 6.824 -1.917 1.00 0.00 C ATOM 831 CD2 TYR A 50 7.148 5.490 -2.669 1.00 0.00 C ATOM 832 CE1 TYR A 50 9.002 7.480 -3.133 1.00 0.00 C ATOM 833 CE2 TYR A 50 7.169 6.140 -3.888 1.00 0.00 C ATOM 834 CZ TYR A 50 8.098 7.134 -4.114 1.00 0.00 C ATOM 835 OH TYR A 50 8.122 7.784 -5.327 1.00 0.00 O ATOM 0 H TYR A 50 10.853 4.518 -1.101 1.00 0.00 H new ATOM 0 HA TYR A 50 8.856 3.412 0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.020 4.712 -0.159 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.222 5.826 0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.685 7.097 -1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.419 4.713 -2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.727 8.259 -3.314 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.462 5.871 -4.659 1.00 0.00 H new ATOM 0 HH TYR A 50 8.964 8.276 -5.418 1.00 0.00 H new ATOM 845 N CYS A 51 7.915 2.066 -1.254 1.00 0.00 N ATOM 846 CA CYS A 51 7.639 1.088 -2.300 1.00 0.00 C ATOM 847 C CYS A 51 6.138 0.870 -2.460 1.00 0.00 C ATOM 848 O CYS A 51 5.368 1.070 -1.520 1.00 0.00 O ATOM 849 CB CYS A 51 8.328 -0.239 -1.979 1.00 0.00 C ATOM 850 SG CYS A 51 7.509 -1.203 -0.687 1.00 0.00 S ATOM 0 H CYS A 51 7.337 1.965 -0.419 1.00 0.00 H new ATOM 0 HA CYS A 51 8.032 1.476 -3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.379 -0.839 -2.888 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.354 -0.038 -1.672 1.00 0.00 H new ATOM 0 HG CYS A 51 6.491 -1.832 -1.195 1.00 0.00 H new ATOM 856 N PHE A 52 5.729 0.461 -3.656 1.00 0.00 N ATOM 857 CA PHE A 52 4.319 0.218 -3.940 1.00 0.00 C ATOM 858 C PHE A 52 4.023 -1.278 -3.986 1.00 0.00 C ATOM 859 O PHE A 52 4.803 -2.060 -4.527 1.00 0.00 O ATOM 860 CB PHE A 52 3.925 0.869 -5.267 1.00 0.00 C ATOM 861 CG PHE A 52 3.985 2.370 -5.240 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.110 3.097 -4.449 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.916 3.054 -6.005 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.162 4.478 -4.422 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.972 4.434 -5.983 1.00 0.00 C ATOM 866 CZ PHE A 52 4.095 5.147 -5.189 1.00 0.00 C ATOM 0 H PHE A 52 6.353 0.291 -4.444 1.00 0.00 H new ATOM 0 HA PHE A 52 3.731 0.662 -3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.585 0.501 -6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.913 0.558 -5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.379 2.579 -3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.606 2.502 -6.626 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.474 5.033 -3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.701 4.955 -6.586 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.139 6.226 -5.168 1.00 0.00 H new ATOM 876 N VAL A 53 2.889 -1.668 -3.414 1.00 0.00 N ATOM 877 CA VAL A 53 2.487 -3.070 -3.390 1.00 0.00 C ATOM 878 C VAL A 53 1.087 -3.251 -3.965 1.00 0.00 C ATOM 879 O VAL A 53 0.107 -2.766 -3.401 1.00 0.00 O ATOM 880 CB VAL A 53 2.520 -3.639 -1.959 1.00 0.00 C ATOM 881 CG1 VAL A 53 2.048 -5.084 -1.948 1.00 0.00 C ATOM 882 CG2 VAL A 53 3.919 -3.522 -1.372 1.00 0.00 C ATOM 0 H VAL A 53 2.232 -1.033 -2.961 1.00 0.00 H new ATOM 0 HA VAL A 53 3.202 -3.614 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 53 1.840 -3.055 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.078 -5.469 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.027 -5.136 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.700 -5.685 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.924 -3.929 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.621 -4.080 -1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.215 -2.473 -1.343 1.00 0.00 H new ATOM 892 N GLU A 54 1.002 -3.953 -5.091 1.00 0.00 N ATOM 893 CA GLU A 54 -0.280 -4.198 -5.742 1.00 0.00 C ATOM 894 C GLU A 54 -0.742 -5.634 -5.512 1.00 0.00 C ATOM 895 O GLU A 54 0.043 -6.575 -5.625 1.00 0.00 O ATOM 896 CB GLU A 54 -0.176 -3.917 -7.243 1.00 0.00 C ATOM 897 CG GLU A 54 -1.506 -4.001 -7.972 1.00 0.00 C ATOM 898 CD GLU A 54 -1.342 -4.159 -9.470 1.00 0.00 C ATOM 899 OE1 GLU A 54 -0.802 -3.232 -10.109 1.00 0.00 O ATOM 900 OE2 GLU A 54 -1.753 -5.210 -10.005 1.00 0.00 O ATOM 0 H GLU A 54 1.804 -4.361 -5.571 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.016 -3.524 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.247 -2.923 -7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.519 -4.628 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.077 -4.844 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.086 -3.101 -7.767 1.00 0.00 H new ATOM 907 N PHE A 55 -2.021 -5.793 -5.188 1.00 0.00 N ATOM 908 CA PHE A 55 -2.587 -7.114 -4.941 1.00 0.00 C ATOM 909 C PHE A 55 -3.581 -7.493 -6.036 1.00 0.00 C ATOM 910 O PHE A 55 -4.089 -6.632 -6.754 1.00 0.00 O ATOM 911 CB PHE A 55 -3.279 -7.148 -3.576 1.00 0.00 C ATOM 912 CG PHE A 55 -2.337 -7.405 -2.434 1.00 0.00 C ATOM 913 CD1 PHE A 55 -1.995 -8.700 -2.079 1.00 0.00 C ATOM 914 CD2 PHE A 55 -1.794 -6.352 -1.717 1.00 0.00 C ATOM 915 CE1 PHE A 55 -1.129 -8.939 -1.028 1.00 0.00 C ATOM 916 CE2 PHE A 55 -0.927 -6.585 -0.665 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.595 -7.881 -0.321 1.00 0.00 C ATOM 0 H PHE A 55 -2.684 -5.024 -5.090 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.772 -7.838 -4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.787 -6.198 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.046 -7.922 -3.585 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.409 -9.532 -2.629 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.051 -5.337 -1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.871 -9.953 -0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.510 -5.755 -0.113 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.082 -8.066 0.500 1.00 0.00 H new ATOM 927 N TYR A 56 -3.851 -8.788 -6.158 1.00 0.00 N ATOM 928 CA TYR A 56 -4.781 -9.283 -7.166 1.00 0.00 C ATOM 929 C TYR A 56 -6.198 -8.793 -6.887 1.00 0.00 C ATOM 930 O TYR A 56 -6.906 -8.360 -7.795 1.00 0.00 O ATOM 931 CB TYR A 56 -4.755 -10.812 -7.207 1.00 0.00 C ATOM 932 CG TYR A 56 -3.638 -11.377 -8.055 1.00 0.00 C ATOM 933 CD1 TYR A 56 -2.340 -11.452 -7.567 1.00 0.00 C ATOM 934 CD2 TYR A 56 -3.882 -11.836 -9.343 1.00 0.00 C ATOM 935 CE1 TYR A 56 -1.315 -11.967 -8.339 1.00 0.00 C ATOM 936 CE2 TYR A 56 -2.865 -12.354 -10.121 1.00 0.00 C ATOM 937 CZ TYR A 56 -1.584 -12.416 -9.615 1.00 0.00 C ATOM 938 OH TYR A 56 -0.567 -12.931 -10.386 1.00 0.00 O ATOM 0 H TYR A 56 -3.439 -9.514 -5.571 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.467 -8.896 -8.135 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.656 -11.193 -6.190 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.709 -11.173 -7.591 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.128 -11.102 -6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.884 -11.787 -9.743 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.311 -12.017 -7.945 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.072 -12.708 -11.120 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.923 -13.203 -11.257 1.00 0.00 H new ATOM 948 N GLU A 57 -6.605 -8.867 -5.624 1.00 0.00 N ATOM 949 CA GLU A 57 -7.938 -8.431 -5.225 1.00 0.00 C ATOM 950 C GLU A 57 -7.860 -7.384 -4.118 1.00 0.00 C ATOM 951 O GLU A 57 -6.805 -7.178 -3.515 1.00 0.00 O ATOM 952 CB GLU A 57 -8.769 -9.626 -4.753 1.00 0.00 C ATOM 953 CG GLU A 57 -8.562 -10.879 -5.588 1.00 0.00 C ATOM 954 CD GLU A 57 -9.794 -11.761 -5.630 1.00 0.00 C ATOM 955 OE1 GLU A 57 -10.189 -12.281 -4.565 1.00 0.00 O ATOM 956 OE2 GLU A 57 -10.364 -11.932 -6.728 1.00 0.00 O ATOM 0 H GLU A 57 -6.031 -9.224 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.420 -7.981 -6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.518 -9.845 -3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.825 -9.355 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.289 -10.593 -6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.726 -11.448 -5.182 1.00 0.00 H new ATOM 963 N HIS A 58 -8.982 -6.723 -3.856 1.00 0.00 N ATOM 964 CA HIS A 58 -9.042 -5.696 -2.822 1.00 0.00 C ATOM 965 C HIS A 58 -9.011 -6.322 -1.432 1.00 0.00 C ATOM 966 O HIS A 58 -8.500 -5.727 -0.483 1.00 0.00 O ATOM 967 CB HIS A 58 -10.305 -4.851 -2.985 1.00 0.00 C ATOM 968 CG HIS A 58 -10.575 -3.945 -1.822 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.072 -2.665 -1.732 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.302 -4.142 -0.698 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.476 -2.113 -0.602 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.224 -2.989 0.044 1.00 0.00 N ATOM 0 H HIS A 58 -9.863 -6.880 -4.346 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.168 -5.054 -2.932 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.216 -4.250 -3.890 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.159 -5.513 -3.125 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.480 -2.214 -2.429 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.843 -5.039 -0.434 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.236 -1.116 -0.264 1.00 0.00 H new ATOM 980 N ARG A 59 -9.562 -7.526 -1.318 1.00 0.00 N ATOM 981 CA ARG A 59 -9.599 -8.233 -0.044 1.00 0.00 C ATOM 982 C ARG A 59 -8.189 -8.462 0.493 1.00 0.00 C ATOM 983 O ARG A 59 -7.943 -8.343 1.693 1.00 0.00 O ATOM 984 CB ARG A 59 -10.321 -9.573 -0.199 1.00 0.00 C ATOM 985 CG ARG A 59 -9.709 -10.475 -1.257 1.00 0.00 C ATOM 986 CD ARG A 59 -10.182 -11.912 -1.105 1.00 0.00 C ATOM 987 NE ARG A 59 -9.736 -12.506 0.152 1.00 0.00 N ATOM 988 CZ ARG A 59 -10.329 -13.548 0.724 1.00 0.00 C ATOM 989 NH1 ARG A 59 -11.387 -14.109 0.153 1.00 0.00 N ATOM 990 NH2 ARG A 59 -9.864 -14.032 1.869 1.00 0.00 N ATOM 0 H ARG A 59 -9.989 -8.032 -2.093 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.145 -7.615 0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.313 -10.093 0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.365 -9.387 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.974 -10.107 -2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.622 -10.439 -1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.270 -11.942 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.809 -12.506 -1.939 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.924 -12.098 0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.747 -13.740 -0.727 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.840 -14.909 0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.050 -13.604 2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.320 -14.832 2.307 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.268 -8.793 -0.405 1.00 0.00 N ATOM 1005 CA ASP A 60 -5.882 -9.040 -0.023 1.00 0.00 C ATOM 1006 C ASP A 60 -5.173 -7.733 0.321 1.00 0.00 C ATOM 1007 O ASP A 60 -4.484 -7.638 1.336 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.138 -9.755 -1.152 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.923 -10.925 -1.711 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.411 -11.750 -0.910 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -6.050 -11.018 -2.950 1.00 0.00 O ATOM 0 H ASP A 60 -7.456 -8.897 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.883 -9.677 0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.929 -9.045 -1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.176 -10.110 -0.782 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.347 -6.729 -0.531 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.725 -5.428 -0.317 1.00 0.00 C ATOM 1018 C ALA A 61 -5.146 -4.832 1.022 1.00 0.00 C ATOM 1019 O ALA A 61 -4.321 -4.294 1.759 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.079 -4.480 -1.453 1.00 0.00 C ATOM 0 H ALA A 61 -5.914 -6.791 -1.377 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.644 -5.568 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.608 -3.513 -1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.723 -4.894 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.161 -4.354 -1.498 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.435 -4.933 1.330 1.00 0.00 N ATOM 1027 CA ALA A 62 -6.965 -4.404 2.581 1.00 0.00 C ATOM 1028 C ALA A 62 -6.445 -5.198 3.776 1.00 0.00 C ATOM 1029 O ALA A 62 -6.079 -4.625 4.802 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.486 -4.418 2.557 1.00 0.00 C ATOM 0 H ALA A 62 -7.131 -5.376 0.731 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.624 -3.374 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.868 -4.020 3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.843 -3.803 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.838 -5.441 2.426 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.416 -6.519 3.635 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.940 -7.390 4.702 1.00 0.00 C ATOM 1038 C ALA A 63 -4.461 -7.152 4.987 1.00 0.00 C ATOM 1039 O ALA A 63 -4.049 -7.065 6.144 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.181 -8.848 4.340 1.00 0.00 C ATOM 0 H ALA A 63 -6.716 -7.009 2.792 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.500 -7.154 5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.821 -9.487 5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.248 -9.015 4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.647 -9.088 3.420 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.668 -7.048 3.926 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.235 -6.818 4.062 1.00 0.00 C ATOM 1048 C ALA A 64 -1.948 -5.386 4.501 1.00 0.00 C ATOM 1049 O ALA A 64 -1.004 -5.132 5.251 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.524 -7.123 2.752 1.00 0.00 C ATOM 0 H ALA A 64 -3.994 -7.119 2.962 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.856 -7.489 4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.455 -6.947 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.692 -8.165 2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.915 -6.476 1.967 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.767 -4.452 4.029 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.601 -3.044 4.372 1.00 0.00 C ATOM 1058 C LEU A 65 -2.683 -2.838 5.882 1.00 0.00 C ATOM 1059 O LEU A 65 -1.807 -2.215 6.481 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.667 -2.198 3.673 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.933 -0.820 4.277 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.867 0.172 3.835 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.318 -0.325 3.887 1.00 0.00 C ATOM 0 H LEU A 65 -3.553 -4.645 3.408 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.615 -2.728 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.372 -2.065 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.602 -2.758 3.670 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.892 -0.907 5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.073 1.148 4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.888 -0.175 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.875 0.255 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.490 0.658 4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.387 -0.255 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.071 -1.023 4.254 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.739 -3.368 6.490 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.933 -3.247 7.929 1.00 0.00 C ATOM 1077 C ALA A 66 -2.886 -4.049 8.694 1.00 0.00 C ATOM 1078 O ALA A 66 -2.350 -3.588 9.701 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.333 -3.700 8.314 1.00 0.00 C ATOM 0 H ALA A 66 -4.474 -3.886 6.008 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.817 -2.197 8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.463 -3.604 9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.069 -3.080 7.803 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.471 -4.741 8.023 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.600 -5.253 8.209 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.616 -6.120 8.847 1.00 0.00 C ATOM 1087 C ALA A 67 -0.213 -5.533 8.735 1.00 0.00 C ATOM 1088 O ALA A 67 0.629 -5.743 9.607 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.659 -7.510 8.230 1.00 0.00 C ATOM 0 H ALA A 67 -3.036 -5.650 7.377 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.867 -6.196 9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.919 -8.147 8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.652 -7.938 8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.436 -7.442 7.165 1.00 0.00 H new ATOM 1095 N MET A 68 0.031 -4.796 7.655 1.00 0.00 N ATOM 1096 CA MET A 68 1.332 -4.179 7.431 1.00 0.00 C ATOM 1097 C MET A 68 1.326 -2.719 7.874 1.00 0.00 C ATOM 1098 O MET A 68 2.380 -2.102 8.025 1.00 0.00 O ATOM 1099 CB MET A 68 1.717 -4.273 5.952 1.00 0.00 C ATOM 1100 CG MET A 68 1.836 -5.701 5.444 1.00 0.00 C ATOM 1101 SD MET A 68 3.086 -6.651 6.331 1.00 0.00 S ATOM 1102 CE MET A 68 4.588 -5.930 5.676 1.00 0.00 C ATOM 0 H MET A 68 -0.655 -4.612 6.923 1.00 0.00 H new ATOM 0 HA MET A 68 2.069 -4.718 8.027 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.972 -3.745 5.357 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.667 -3.761 5.799 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.871 -6.198 5.540 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.082 -5.686 4.382 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.375 -5.981 6.429 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.899 -6.481 4.788 1.00 0.00 H new ATOM 0 HE3 MET A 68 4.406 -4.888 5.412 1.00 0.00 H new ATOM 1112 N ASN A 69 0.132 -2.174 8.082 1.00 0.00 N ATOM 1113 CA ASN A 69 -0.011 -0.787 8.507 1.00 0.00 C ATOM 1114 C ASN A 69 0.775 -0.527 9.789 1.00 0.00 C ATOM 1115 O ASN A 69 0.360 -0.930 10.876 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.487 -0.447 8.722 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.680 0.695 9.701 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -1.668 0.497 10.915 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.862 1.901 9.174 1.00 0.00 N ATOM 0 H ASN A 69 -0.750 -2.672 7.963 1.00 0.00 H new ATOM 0 HA ASN A 69 0.391 -0.149 7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.939 -0.183 7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.011 -1.330 9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.999 2.708 9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.865 2.020 8.161 1.00 0.00 H new ATOM 1126 N GLY A 70 1.911 0.149 9.654 1.00 0.00 N ATOM 1127 CA GLY A 70 2.737 0.450 10.809 1.00 0.00 C ATOM 1128 C GLY A 70 3.410 -0.782 11.379 1.00 0.00 C ATOM 1129 O GLY A 70 3.629 -0.876 12.587 1.00 0.00 O ATOM 0 H GLY A 70 2.275 0.494 8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.498 1.178 10.528 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.122 0.914 11.580 1.00 0.00 H new ATOM 1133 N ARG A 71 3.738 -1.731 10.508 1.00 0.00 N ATOM 1134 CA ARG A 71 4.387 -2.966 10.932 1.00 0.00 C ATOM 1135 C ARG A 71 5.862 -2.726 11.242 1.00 0.00 C ATOM 1136 O ARG A 71 6.441 -1.723 10.823 1.00 0.00 O ATOM 1137 CB ARG A 71 4.251 -4.037 9.850 1.00 0.00 C ATOM 1138 CG ARG A 71 4.577 -5.440 10.335 1.00 0.00 C ATOM 1139 CD ARG A 71 4.095 -6.496 9.353 1.00 0.00 C ATOM 1140 NE ARG A 71 4.229 -7.846 9.893 1.00 0.00 N ATOM 1141 CZ ARG A 71 5.373 -8.522 9.908 1.00 0.00 C ATOM 1142 NH1 ARG A 71 6.476 -7.975 9.417 1.00 0.00 N ATOM 1143 NH2 ARG A 71 5.415 -9.746 10.417 1.00 0.00 N ATOM 0 H ARG A 71 3.565 -1.668 9.505 1.00 0.00 H new ATOM 0 HA ARG A 71 3.893 -3.312 11.840 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.232 -4.023 9.464 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.910 -3.787 9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.654 -5.537 10.475 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.113 -5.607 11.307 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.051 -6.308 9.102 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.665 -6.417 8.427 1.00 0.00 H new ATOM 0 HE ARG A 71 3.399 -8.295 10.280 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.448 -7.033 9.027 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.353 -8.496 9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.569 -10.169 10.797 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.294 -10.264 10.428 1.00 0.00 H new ATOM 1157 N LYS A 72 6.465 -3.652 11.979 1.00 0.00 N ATOM 1158 CA LYS A 72 7.872 -3.544 12.344 1.00 0.00 C ATOM 1159 C LYS A 72 8.742 -4.387 11.418 1.00 0.00 C ATOM 1160 O LYS A 72 8.643 -5.615 11.406 1.00 0.00 O ATOM 1161 CB LYS A 72 8.078 -3.984 13.795 1.00 0.00 C ATOM 1162 CG LYS A 72 7.945 -2.851 14.799 1.00 0.00 C ATOM 1163 CD LYS A 72 9.281 -2.177 15.061 1.00 0.00 C ATOM 1164 CE LYS A 72 9.576 -1.103 14.027 1.00 0.00 C ATOM 1165 NZ LYS A 72 10.403 0.000 14.592 1.00 0.00 N ATOM 0 H LYS A 72 6.000 -4.487 12.336 1.00 0.00 H new ATOM 0 HA LYS A 72 8.169 -2.500 12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.352 -4.760 14.037 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.067 -4.431 13.893 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.232 -2.115 14.426 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.543 -3.239 15.735 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.277 -1.733 16.057 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.075 -2.924 15.048 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.096 -1.549 13.179 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.638 -0.696 13.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.000 0.916 14.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.412 -0.069 15.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.376 -0.076 14.232 1.00 0.00 H new ATOM 1179 N ILE A 73 9.594 -3.722 10.645 1.00 0.00 N ATOM 1180 CA ILE A 73 10.482 -4.411 9.717 1.00 0.00 C ATOM 1181 C ILE A 73 11.906 -3.875 9.818 1.00 0.00 C ATOM 1182 O ILE A 73 12.158 -2.699 9.552 1.00 0.00 O ATOM 1183 CB ILE A 73 9.994 -4.273 8.263 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.569 -4.810 8.125 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.935 -5.005 7.318 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.946 -4.534 6.775 1.00 0.00 C ATOM 0 H ILE A 73 9.688 -2.706 10.643 1.00 0.00 H new ATOM 0 HA ILE A 73 10.473 -5.465 9.995 1.00 0.00 H new ATOM 0 HB ILE A 73 9.990 -3.216 7.996 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.577 -5.886 8.299 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.946 -4.366 8.901 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.577 -4.899 6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.935 -4.580 7.399 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.967 -6.062 7.583 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.936 -4.943 6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.906 -3.458 6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.547 -5.002 5.995 1.00 0.00 H new ATOM 1198 N LEU A 74 12.833 -4.744 10.203 1.00 0.00 N ATOM 1199 CA LEU A 74 14.234 -4.359 10.337 1.00 0.00 C ATOM 1200 C LEU A 74 14.402 -3.278 11.400 1.00 0.00 C ATOM 1201 O LEU A 74 15.193 -2.349 11.236 1.00 0.00 O ATOM 1202 CB LEU A 74 14.777 -3.862 8.997 1.00 0.00 C ATOM 1203 CG LEU A 74 14.754 -4.870 7.847 1.00 0.00 C ATOM 1204 CD1 LEU A 74 15.227 -4.219 6.557 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.614 -6.080 8.183 1.00 0.00 C ATOM 0 H LEU A 74 12.641 -5.720 10.428 1.00 0.00 H new ATOM 0 HA LEU A 74 14.799 -5.238 10.647 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.202 -2.986 8.697 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.806 -3.533 9.144 1.00 0.00 H new ATOM 0 HG LEU A 74 13.727 -5.207 7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.204 -4.951 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.571 -3.385 6.309 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.246 -3.854 6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.587 -6.787 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.642 -5.760 8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.230 -6.561 9.083 1.00 0.00 H new ATOM 1217 N GLY A 75 13.653 -3.405 12.491 1.00 0.00 N ATOM 1218 CA GLY A 75 13.734 -2.434 13.565 1.00 0.00 C ATOM 1219 C GLY A 75 13.138 -1.094 13.182 1.00 0.00 C ATOM 1220 O GLY A 75 13.153 -0.149 13.972 1.00 0.00 O ATOM 0 H GLY A 75 12.991 -4.164 12.650 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.215 -2.822 14.441 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.778 -2.296 13.848 1.00 0.00 H new ATOM 1224 N LYS A 76 12.613 -1.009 11.965 1.00 0.00 N ATOM 1225 CA LYS A 76 12.008 0.225 11.476 1.00 0.00 C ATOM 1226 C LYS A 76 10.536 0.015 11.142 1.00 0.00 C ATOM 1227 O LYS A 76 10.190 -0.849 10.337 1.00 0.00 O ATOM 1228 CB LYS A 76 12.756 0.728 10.239 1.00 0.00 C ATOM 1229 CG LYS A 76 12.412 2.158 9.859 1.00 0.00 C ATOM 1230 CD LYS A 76 13.503 2.788 9.009 1.00 0.00 C ATOM 1231 CE LYS A 76 14.599 3.397 9.870 1.00 0.00 C ATOM 1232 NZ LYS A 76 15.582 4.164 9.056 1.00 0.00 N ATOM 0 H LYS A 76 12.594 -1.781 11.298 1.00 0.00 H new ATOM 0 HA LYS A 76 12.079 0.973 12.266 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.829 0.657 10.420 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.531 0.073 9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.469 2.173 9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.266 2.750 10.762 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.933 2.034 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.070 3.558 8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.152 4.055 10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.116 2.606 10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.313 4.563 9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.027 3.530 8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.093 4.935 8.557 1.00 0.00 H new ATOM 1246 N GLU A 77 9.673 0.812 11.765 1.00 0.00 N ATOM 1247 CA GLU A 77 8.237 0.712 11.533 1.00 0.00 C ATOM 1248 C GLU A 77 7.868 1.270 10.161 1.00 0.00 C ATOM 1249 O GLU A 77 8.179 2.417 9.841 1.00 0.00 O ATOM 1250 CB GLU A 77 7.467 1.460 12.623 1.00 0.00 C ATOM 1251 CG GLU A 77 6.099 0.867 12.919 1.00 0.00 C ATOM 1252 CD GLU A 77 5.163 1.862 13.575 1.00 0.00 C ATOM 1253 OE1 GLU A 77 5.372 2.180 14.765 1.00 0.00 O ATOM 1254 OE2 GLU A 77 4.220 2.324 12.898 1.00 0.00 O ATOM 0 H GLU A 77 9.943 1.533 12.434 1.00 0.00 H new ATOM 0 HA GLU A 77 7.963 -0.343 11.564 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.059 1.461 13.538 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.345 2.500 12.321 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.653 0.511 11.990 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.216 0.000 13.569 1.00 0.00 H new ATOM 1261 N VAL A 78 7.202 0.450 9.354 1.00 0.00 N ATOM 1262 CA VAL A 78 6.788 0.860 8.018 1.00 0.00 C ATOM 1263 C VAL A 78 5.324 1.283 8.000 1.00 0.00 C ATOM 1264 O VAL A 78 4.465 0.609 8.570 1.00 0.00 O ATOM 1265 CB VAL A 78 6.998 -0.271 6.994 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.306 -0.999 7.262 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.824 -1.238 7.021 1.00 0.00 C ATOM 0 H VAL A 78 6.938 -0.503 9.603 1.00 0.00 H new ATOM 0 HA VAL A 78 7.411 1.711 7.741 1.00 0.00 H new ATOM 0 HB VAL A 78 7.054 0.169 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.437 -1.794 6.528 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.136 -0.296 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.285 -1.429 8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.989 -2.031 6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.734 -1.674 8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.907 -0.703 6.775 1.00 0.00 H new ATOM 1277 N LYS A 79 5.045 2.402 7.342 1.00 0.00 N ATOM 1278 CA LYS A 79 3.683 2.915 7.247 1.00 0.00 C ATOM 1279 C LYS A 79 3.048 2.531 5.914 1.00 0.00 C ATOM 1280 O LYS A 79 3.579 2.843 4.849 1.00 0.00 O ATOM 1281 CB LYS A 79 3.677 4.437 7.406 1.00 0.00 C ATOM 1282 CG LYS A 79 4.642 5.151 6.475 1.00 0.00 C ATOM 1283 CD LYS A 79 4.296 6.623 6.335 1.00 0.00 C ATOM 1284 CE LYS A 79 5.375 7.378 5.572 1.00 0.00 C ATOM 1285 NZ LYS A 79 6.422 7.920 6.481 1.00 0.00 N ATOM 0 H LYS A 79 5.744 2.972 6.866 1.00 0.00 H new ATOM 0 HA LYS A 79 3.097 2.469 8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.669 4.809 7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.928 4.687 8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.658 5.050 6.856 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.621 4.676 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.342 6.726 5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.171 7.064 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.837 6.713 4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.920 8.196 5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.301 8.072 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.100 8.824 6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.598 7.243 7.251 1.00 0.00 H new ATOM 1299 N VAL A 80 1.907 1.852 5.981 1.00 0.00 N ATOM 1300 CA VAL A 80 1.198 1.428 4.780 1.00 0.00 C ATOM 1301 C VAL A 80 -0.173 2.087 4.689 1.00 0.00 C ATOM 1302 O VAL A 80 -0.962 2.036 5.632 1.00 0.00 O ATOM 1303 CB VAL A 80 1.023 -0.102 4.743 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.445 -0.541 3.406 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.350 -0.796 5.013 1.00 0.00 C ATOM 0 H VAL A 80 1.454 1.584 6.855 1.00 0.00 H new ATOM 0 HA VAL A 80 1.804 1.738 3.929 1.00 0.00 H new ATOM 0 HB VAL A 80 0.322 -0.390 5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.328 -1.625 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.527 -0.070 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.119 -0.243 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.208 -1.876 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.075 -0.504 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.719 -0.505 5.997 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.452 2.706 3.547 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.729 3.377 3.332 1.00 0.00 C ATOM 1317 C ASN A 81 -2.235 3.141 1.912 1.00 0.00 C ATOM 1318 O ASN A 81 -1.466 2.782 1.020 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.591 4.878 3.594 1.00 0.00 C ATOM 1320 CG ASN A 81 -2.857 5.642 3.260 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -2.939 6.311 2.229 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.854 5.546 4.132 1.00 0.00 N ATOM 0 H ASN A 81 0.189 2.757 2.755 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.453 2.959 4.031 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.338 5.039 4.642 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.765 5.273 3.003 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.731 6.038 3.960 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.743 4.980 4.974 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.531 3.349 1.709 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.139 3.160 0.397 1.00 0.00 C ATOM 1331 C TRP A 82 -3.536 4.117 -0.625 1.00 0.00 C ATOM 1332 O TRP A 82 -3.618 5.335 -0.473 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.652 3.369 0.480 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.368 2.259 1.187 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -6.877 2.289 2.454 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.651 0.955 0.669 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.461 1.081 2.755 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.336 0.246 1.676 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.395 0.317 -0.548 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.764 -1.067 1.502 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.821 -0.987 -0.719 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.501 -1.667 0.301 1.00 0.00 C ATOM 0 H TRP A 82 -4.181 3.648 2.436 1.00 0.00 H new ATOM 0 HA TRP A 82 -3.937 2.139 0.073 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.854 4.308 0.995 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.054 3.466 -0.529 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -6.828 3.137 3.121 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.914 0.845 3.638 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.874 0.833 -1.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.285 -1.594 2.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.627 -1.490 -1.654 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.824 -2.684 0.135 1.00 0.00 H new ATOM 1353 N ALA A 83 -2.930 3.557 -1.667 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.315 4.362 -2.716 1.00 0.00 C ATOM 1355 C ALA A 83 -3.372 5.055 -3.567 1.00 0.00 C ATOM 1356 O ALA A 83 -4.528 4.631 -3.607 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.417 3.495 -3.587 1.00 0.00 C ATOM 0 H ALA A 83 -2.852 2.550 -1.807 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.708 5.132 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.964 4.108 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.633 3.051 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.010 2.704 -4.046 1.00 0.00 H new