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 38 CYS SG : rot 41:sc= -0.0149 USER MOD Set 1.2: A 51 CYS SG : rot -110:sc= -1.07 USER MOD Set 2.1: A 15 ASN : amide:sc= -0.195 K(o=-0.2,f=0.31) USER MOD Set 2.2: A 76 LYS NZ :NH3+ -132:sc= 0 (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 USER MOD Single : A 27 GLN : amide:sc= -0.0981 K(o=-0.098,f=-0.76) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 35 CYS SG : rot -21:sc= -0.0038 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 21:sc= 1.19 USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -0.0936 (180deg=-0.816) USER MOD Single : A 40 MET CE :methyl -132:sc= -1.84 (180deg=-2.99!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0529 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 0.0809 K(o=0.081,f=-3!) USER MOD Single : A 68 MET CE :methyl -150:sc= -4.35! (180deg=-5.75!) USER MOD Single : A 69 ASN : amide:sc= -1.04 X(o=-1,f=-1.2!) USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= -13.4! (180deg=-14.3!) USER MOD Single : A 79 LYS NZ :NH3+ -147:sc= -0.169 (180deg=-1.54!) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.790 -0.330 -4.815 1.00 0.00 N ATOM 164 CA PRO A 8 -8.337 -0.146 -4.871 1.00 0.00 C ATOM 165 C PRO A 8 -7.577 -1.435 -4.573 1.00 0.00 C ATOM 166 O PRO A 8 -7.985 -2.223 -3.719 1.00 0.00 O ATOM 167 CB PRO A 8 -8.068 0.896 -3.782 1.00 0.00 C ATOM 168 CG PRO A 8 -9.201 0.746 -2.827 1.00 0.00 C ATOM 169 CD PRO A 8 -10.392 0.349 -3.655 1.00 0.00 C ATOM 0 HA PRO A 8 -8.004 0.158 -5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.111 0.718 -3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.031 1.903 -4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.979 -0.011 -2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.389 1.679 -2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.061 -0.313 -3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.979 1.217 -3.957 1.00 0.00 H new ATOM 177 N ARG A 9 -6.472 -1.644 -5.282 1.00 0.00 N ATOM 178 CA ARG A 9 -5.658 -2.837 -5.092 1.00 0.00 C ATOM 179 C ARG A 9 -4.187 -2.468 -4.911 1.00 0.00 C ATOM 180 O ARG A 9 -3.311 -3.333 -4.935 1.00 0.00 O ATOM 181 CB ARG A 9 -5.815 -3.781 -6.286 1.00 0.00 C ATOM 182 CG ARG A 9 -7.217 -4.347 -6.435 1.00 0.00 C ATOM 183 CD ARG A 9 -7.408 -5.016 -7.786 1.00 0.00 C ATOM 184 NE ARG A 9 -7.894 -4.080 -8.796 1.00 0.00 N ATOM 185 CZ ARG A 9 -7.711 -4.247 -10.102 1.00 0.00 C ATOM 186 NH1 ARG A 9 -7.056 -5.308 -10.553 1.00 0.00 N ATOM 187 NH2 ARG A 9 -8.185 -3.351 -10.958 1.00 0.00 N ATOM 0 H ARG A 9 -6.121 -1.002 -5.993 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.002 -3.342 -4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.549 -3.247 -7.198 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.109 -4.605 -6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.405 -5.069 -5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.948 -3.547 -6.318 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.462 -5.445 -8.115 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.114 -5.840 -7.686 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.402 -3.253 -8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.691 -5.999 -9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.917 -5.433 -11.556 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.690 -2.534 -10.614 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.045 -3.479 -11.960 1.00 0.00 H new ATOM 201 N THR A 10 -3.924 -1.178 -4.731 1.00 0.00 N ATOM 202 CA THR A 10 -2.562 -0.694 -4.547 1.00 0.00 C ATOM 203 C THR A 10 -2.398 -0.011 -3.194 1.00 0.00 C ATOM 204 O THR A 10 -3.273 0.736 -2.755 1.00 0.00 O ATOM 205 CB THR A 10 -2.162 0.293 -5.660 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.612 -0.191 -6.930 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.653 0.490 -5.692 1.00 0.00 C ATOM 0 H THR A 10 -4.637 -0.449 -4.709 1.00 0.00 H new ATOM 0 HA THR A 10 -1.909 -1.565 -4.592 1.00 0.00 H new ATOM 0 HB THR A 10 -2.634 1.253 -5.450 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.355 0.443 -7.632 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.394 1.191 -6.486 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.317 0.887 -4.734 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.165 -0.467 -5.879 1.00 0.00 H new ATOM 215 N LEU A 11 -1.273 -0.272 -2.538 1.00 0.00 N ATOM 216 CA LEU A 11 -0.994 0.319 -1.233 1.00 0.00 C ATOM 217 C LEU A 11 0.376 0.989 -1.221 1.00 0.00 C ATOM 218 O LEU A 11 1.351 0.442 -1.737 1.00 0.00 O ATOM 219 CB LEU A 11 -1.061 -0.751 -0.142 1.00 0.00 C ATOM 220 CG LEU A 11 -2.084 -1.866 -0.358 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.732 -3.084 0.482 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.486 -1.376 -0.026 1.00 0.00 C ATOM 0 H LEU A 11 -0.539 -0.888 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.751 1.078 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.075 -1.204 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.282 -0.261 0.806 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.060 -2.155 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.471 -3.867 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.745 -3.450 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.726 -2.809 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.201 -2.183 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.523 -1.059 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.739 -0.534 -0.670 1.00 0.00 H new ATOM 234 N TYR A 12 0.443 2.176 -0.628 1.00 0.00 N ATOM 235 CA TYR A 12 1.694 2.920 -0.548 1.00 0.00 C ATOM 236 C TYR A 12 2.456 2.572 0.728 1.00 0.00 C ATOM 237 O TYR A 12 1.927 2.690 1.833 1.00 0.00 O ATOM 238 CB TYR A 12 1.420 4.424 -0.596 1.00 0.00 C ATOM 239 CG TYR A 12 2.490 5.257 0.073 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.509 5.421 1.453 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.483 5.878 -0.675 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.485 6.182 2.067 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.464 6.639 -0.067 1.00 0.00 C ATOM 244 CZ TYR A 12 4.460 6.789 1.304 1.00 0.00 C ATOM 245 OH TYR A 12 5.435 7.545 1.913 1.00 0.00 O ATOM 0 H TYR A 12 -0.354 2.643 -0.196 1.00 0.00 H new ATOM 0 HA TYR A 12 2.308 2.640 -1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.327 4.735 -1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.462 4.626 -0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.749 4.946 2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.488 5.764 -1.749 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.484 6.301 3.140 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.230 7.114 -0.663 1.00 0.00 H new ATOM 0 HH TYR A 12 6.045 7.901 1.234 1.00 0.00 H new ATOM 255 N VAL A 13 3.703 2.142 0.566 1.00 0.00 N ATOM 256 CA VAL A 13 4.540 1.778 1.703 1.00 0.00 C ATOM 257 C VAL A 13 5.656 2.795 1.911 1.00 0.00 C ATOM 258 O VAL A 13 6.478 3.022 1.024 1.00 0.00 O ATOM 259 CB VAL A 13 5.161 0.380 1.517 1.00 0.00 C ATOM 260 CG1 VAL A 13 5.809 -0.092 2.810 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.110 -0.611 1.044 1.00 0.00 C ATOM 0 H VAL A 13 4.156 2.037 -0.342 1.00 0.00 H new ATOM 0 HA VAL A 13 3.895 1.767 2.581 1.00 0.00 H new ATOM 0 HB VAL A 13 5.936 0.444 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.242 -1.081 2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.593 0.607 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.057 -0.141 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.566 -1.593 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.311 -0.674 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.698 -0.277 0.092 1.00 0.00 H new ATOM 271 N GLY A 14 5.680 3.406 3.093 1.00 0.00 N ATOM 272 CA GLY A 14 6.700 4.392 3.397 1.00 0.00 C ATOM 273 C GLY A 14 7.450 4.073 4.676 1.00 0.00 C ATOM 274 O GLY A 14 7.099 3.137 5.392 1.00 0.00 O ATOM 0 H GLY A 14 5.011 3.235 3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.407 4.447 2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.237 5.375 3.486 1.00 0.00 H new ATOM 278 N ASN A 15 8.487 4.854 4.962 1.00 0.00 N ATOM 279 CA ASN A 15 9.290 4.648 6.161 1.00 0.00 C ATOM 280 C ASN A 15 9.974 3.284 6.131 1.00 0.00 C ATOM 281 O ASN A 15 9.842 2.491 7.065 1.00 0.00 O ATOM 282 CB ASN A 15 8.417 4.766 7.412 1.00 0.00 C ATOM 283 CG ASN A 15 9.191 5.276 8.612 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.164 6.466 8.923 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.887 4.372 9.293 1.00 0.00 N ATOM 0 H ASN A 15 8.790 5.635 4.380 1.00 0.00 H new ATOM 0 HA ASN A 15 10.059 5.420 6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.584 5.439 7.208 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.990 3.791 7.647 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.428 4.655 10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.880 3.395 8.999 1.00 0.00 H new ATOM 292 N LEU A 16 10.704 3.019 5.054 1.00 0.00 N ATOM 293 CA LEU A 16 11.410 1.750 4.903 1.00 0.00 C ATOM 294 C LEU A 16 12.913 1.938 5.081 1.00 0.00 C ATOM 295 O LEU A 16 13.504 2.863 4.522 1.00 0.00 O ATOM 296 CB LEU A 16 11.119 1.145 3.528 1.00 0.00 C ATOM 297 CG LEU A 16 9.655 0.820 3.232 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.440 0.636 1.739 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.220 -0.424 3.994 1.00 0.00 C ATOM 0 H LEU A 16 10.823 3.664 4.273 1.00 0.00 H new ATOM 0 HA LEU A 16 11.055 1.069 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.478 1.837 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.701 0.229 3.426 1.00 0.00 H new ATOM 0 HG LEU A 16 9.042 1.658 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.392 0.405 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.711 1.554 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.063 -0.183 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.175 -0.640 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.838 -1.270 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.335 -0.254 5.064 1.00 0.00 H new ATOM 311 N SER A 17 13.525 1.055 5.863 1.00 0.00 N ATOM 312 CA SER A 17 14.959 1.125 6.117 1.00 0.00 C ATOM 313 C SER A 17 15.750 0.926 4.828 1.00 0.00 C ATOM 314 O SER A 17 15.270 0.298 3.883 1.00 0.00 O ATOM 315 CB SER A 17 15.368 0.070 7.148 1.00 0.00 C ATOM 316 OG SER A 17 16.616 0.390 7.738 1.00 0.00 O ATOM 0 H SER A 17 13.051 0.283 6.331 1.00 0.00 H new ATOM 0 HA SER A 17 15.185 2.116 6.512 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.604 -0.002 7.922 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.429 -0.907 6.669 1.00 0.00 H new ATOM 0 HG SER A 17 16.854 -0.298 8.394 1.00 0.00 H new ATOM 322 N ARG A 18 16.964 1.465 4.796 1.00 0.00 N ATOM 323 CA ARG A 18 17.821 1.348 3.622 1.00 0.00 C ATOM 324 C ARG A 18 18.156 -0.113 3.337 1.00 0.00 C ATOM 325 O ARG A 18 18.714 -0.438 2.289 1.00 0.00 O ATOM 326 CB ARG A 18 19.111 2.148 3.825 1.00 0.00 C ATOM 327 CG ARG A 18 18.968 3.625 3.498 1.00 0.00 C ATOM 328 CD ARG A 18 20.298 4.353 3.622 1.00 0.00 C ATOM 329 NE ARG A 18 20.721 4.486 5.014 1.00 0.00 N ATOM 330 CZ ARG A 18 21.393 3.547 5.671 1.00 0.00 C ATOM 331 NH1 ARG A 18 21.715 2.412 5.065 1.00 0.00 N ATOM 332 NH2 ARG A 18 21.743 3.741 6.936 1.00 0.00 N ATOM 0 H ARG A 18 17.377 1.987 5.569 1.00 0.00 H new ATOM 0 HA ARG A 18 17.281 1.753 2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.435 2.043 4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.896 1.721 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.582 3.739 2.485 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.239 4.079 4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.061 3.813 3.061 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.213 5.342 3.173 1.00 0.00 H new ATOM 0 HE ARG A 18 20.488 5.347 5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 18 21.447 2.259 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.231 1.692 5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.496 4.612 7.406 1.00 0.00 H new ATOM 0 HH22 ARG A 18 22.259 3.019 7.439 1.00 0.00 H new ATOM 346 N ASP A 19 17.811 -0.987 4.275 1.00 0.00 N ATOM 347 CA ASP A 19 18.074 -2.413 4.124 1.00 0.00 C ATOM 348 C ASP A 19 16.912 -3.108 3.420 1.00 0.00 C ATOM 349 O ASP A 19 17.103 -4.101 2.718 1.00 0.00 O ATOM 350 CB ASP A 19 18.316 -3.056 5.490 1.00 0.00 C ATOM 351 CG ASP A 19 19.329 -2.291 6.319 1.00 0.00 C ATOM 352 OD1 ASP A 19 20.357 -1.865 5.752 1.00 0.00 O ATOM 353 OD2 ASP A 19 19.094 -2.119 7.533 1.00 0.00 O ATOM 0 H ASP A 19 17.349 -0.733 5.148 1.00 0.00 H new ATOM 0 HA ASP A 19 18.969 -2.530 3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.373 -3.112 6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.664 -4.079 5.350 1.00 0.00 H new ATOM 358 N VAL A 20 15.708 -2.580 3.615 1.00 0.00 N ATOM 359 CA VAL A 20 14.515 -3.150 2.998 1.00 0.00 C ATOM 360 C VAL A 20 14.648 -3.193 1.480 1.00 0.00 C ATOM 361 O VAL A 20 15.054 -2.214 0.853 1.00 0.00 O ATOM 362 CB VAL A 20 13.254 -2.348 3.370 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.027 -2.935 2.689 1.00 0.00 C ATOM 364 CG2 VAL A 20 13.070 -2.314 4.880 1.00 0.00 C ATOM 0 H VAL A 20 15.532 -1.759 4.195 1.00 0.00 H new ATOM 0 HA VAL A 20 14.416 -4.166 3.379 1.00 0.00 H new ATOM 0 HB VAL A 20 13.380 -1.324 3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.146 -2.355 2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.160 -2.902 1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.894 -3.969 3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.174 -1.743 5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.966 -3.331 5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.938 -1.843 5.342 1.00 0.00 H new ATOM 374 N THR A 21 14.302 -4.334 0.894 1.00 0.00 N ATOM 375 CA THR A 21 14.382 -4.506 -0.552 1.00 0.00 C ATOM 376 C THR A 21 13.025 -4.879 -1.138 1.00 0.00 C ATOM 377 O THR A 21 12.084 -5.176 -0.404 1.00 0.00 O ATOM 378 CB THR A 21 15.409 -5.590 -0.933 1.00 0.00 C ATOM 379 OG1 THR A 21 15.254 -6.731 -0.082 1.00 0.00 O ATOM 380 CG2 THR A 21 16.828 -5.054 -0.820 1.00 0.00 C ATOM 0 H THR A 21 13.963 -5.154 1.398 1.00 0.00 H new ATOM 0 HA THR A 21 14.703 -3.550 -0.966 1.00 0.00 H new ATOM 0 HB THR A 21 15.230 -5.882 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.909 -7.416 -0.331 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.535 -5.837 -1.094 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.950 -4.204 -1.491 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.017 -4.737 0.206 1.00 0.00 H new ATOM 388 N GLU A 22 12.934 -4.861 -2.463 1.00 0.00 N ATOM 389 CA GLU A 22 11.690 -5.197 -3.147 1.00 0.00 C ATOM 390 C GLU A 22 11.274 -6.634 -2.844 1.00 0.00 C ATOM 391 O GLU A 22 10.094 -6.921 -2.643 1.00 0.00 O ATOM 392 CB GLU A 22 11.845 -5.007 -4.658 1.00 0.00 C ATOM 393 CG GLU A 22 10.665 -5.530 -5.461 1.00 0.00 C ATOM 394 CD GLU A 22 10.831 -6.981 -5.865 1.00 0.00 C ATOM 395 OE1 GLU A 22 10.670 -7.863 -4.995 1.00 0.00 O ATOM 396 OE2 GLU A 22 11.123 -7.237 -7.053 1.00 0.00 O ATOM 0 H GLU A 22 13.705 -4.618 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 22 10.912 -4.527 -2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.977 -3.946 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.752 -5.514 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.754 -5.423 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.540 -4.920 -6.356 1.00 0.00 H new ATOM 403 N VAL A 23 12.253 -7.533 -2.813 1.00 0.00 N ATOM 404 CA VAL A 23 11.990 -8.940 -2.534 1.00 0.00 C ATOM 405 C VAL A 23 11.493 -9.133 -1.106 1.00 0.00 C ATOM 406 O VAL A 23 10.556 -9.894 -0.860 1.00 0.00 O ATOM 407 CB VAL A 23 13.250 -9.800 -2.748 1.00 0.00 C ATOM 408 CG1 VAL A 23 14.414 -9.253 -1.935 1.00 0.00 C ATOM 409 CG2 VAL A 23 12.971 -11.251 -2.389 1.00 0.00 C ATOM 0 H VAL A 23 13.235 -7.312 -2.978 1.00 0.00 H new ATOM 0 HA VAL A 23 11.217 -9.262 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 23 13.524 -9.758 -3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.295 -9.873 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.627 -8.230 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.155 -9.263 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.872 -11.844 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.672 -11.316 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.169 -11.634 -3.020 1.00 0.00 H new ATOM 419 N LEU A 24 12.126 -8.439 -0.166 1.00 0.00 N ATOM 420 CA LEU A 24 11.748 -8.534 1.240 1.00 0.00 C ATOM 421 C LEU A 24 10.294 -8.121 1.442 1.00 0.00 C ATOM 422 O LEU A 24 9.516 -8.840 2.071 1.00 0.00 O ATOM 423 CB LEU A 24 12.663 -7.654 2.095 1.00 0.00 C ATOM 424 CG LEU A 24 12.602 -7.890 3.604 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.657 -7.059 4.317 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.215 -7.566 4.139 1.00 0.00 C ATOM 0 H LEU A 24 12.903 -7.805 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 24 11.858 -9.573 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.691 -7.805 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.416 -6.610 1.900 1.00 0.00 H new ATOM 0 HG LEU A 24 12.807 -8.943 3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.599 -7.240 5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.646 -7.339 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.483 -6.002 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.190 -7.740 5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.981 -6.521 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.479 -8.205 3.651 1.00 0.00 H new ATOM 438 N ILE A 25 9.932 -6.962 0.902 1.00 0.00 N ATOM 439 CA ILE A 25 8.570 -6.457 1.020 1.00 0.00 C ATOM 440 C ILE A 25 7.564 -7.447 0.442 1.00 0.00 C ATOM 441 O ILE A 25 6.552 -7.759 1.071 1.00 0.00 O ATOM 442 CB ILE A 25 8.408 -5.102 0.305 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.179 -4.011 1.052 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.937 -4.734 0.194 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.522 -3.584 2.346 1.00 0.00 C ATOM 0 H ILE A 25 10.563 -6.355 0.379 1.00 0.00 H new ATOM 0 HA ILE A 25 8.374 -6.323 2.084 1.00 0.00 H new ATOM 0 HB ILE A 25 8.818 -5.188 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.185 -4.371 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.283 -3.142 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.839 -3.774 -0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.412 -5.501 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.503 -4.663 1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.123 -2.809 2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.526 -3.194 2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.442 -4.442 3.014 1.00 0.00 H new ATOM 457 N LEU A 26 7.849 -7.938 -0.759 1.00 0.00 N ATOM 458 CA LEU A 26 6.971 -8.894 -1.422 1.00 0.00 C ATOM 459 C LEU A 26 6.842 -10.175 -0.602 1.00 0.00 C ATOM 460 O LEU A 26 5.802 -10.832 -0.620 1.00 0.00 O ATOM 461 CB LEU A 26 7.502 -9.221 -2.820 1.00 0.00 C ATOM 462 CG LEU A 26 7.194 -8.195 -3.911 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.876 -8.583 -5.214 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.691 -8.065 -4.112 1.00 0.00 C ATOM 0 H LEU A 26 8.682 -7.689 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 26 5.984 -8.441 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.583 -9.341 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.091 -10.183 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 26 7.583 -7.227 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.646 -7.842 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.954 -8.625 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.517 -9.561 -5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.490 -7.331 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.279 -9.030 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.226 -7.741 -3.181 1.00 0.00 H new ATOM 476 N GLN A 27 7.906 -10.522 0.115 1.00 0.00 N ATOM 477 CA GLN A 27 7.911 -11.723 0.942 1.00 0.00 C ATOM 478 C GLN A 27 6.921 -11.593 2.095 1.00 0.00 C ATOM 479 O GLN A 27 6.088 -12.474 2.315 1.00 0.00 O ATOM 480 CB GLN A 27 9.315 -11.986 1.488 1.00 0.00 C ATOM 481 CG GLN A 27 10.253 -12.618 0.471 1.00 0.00 C ATOM 482 CD GLN A 27 9.867 -14.044 0.128 1.00 0.00 C ATOM 483 OE1 GLN A 27 9.380 -14.789 0.979 1.00 0.00 O ATOM 484 NE2 GLN A 27 10.082 -14.430 -1.123 1.00 0.00 N ATOM 0 H GLN A 27 8.775 -9.989 0.140 1.00 0.00 H new ATOM 0 HA GLN A 27 7.608 -12.564 0.319 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.745 -11.045 1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.242 -12.639 2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.255 -12.017 -0.439 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.270 -12.605 0.863 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.488 -13.779 -1.795 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.841 -15.378 -1.413 1.00 0.00 H new ATOM 493 N LEU A 28 7.016 -10.490 2.829 1.00 0.00 N ATOM 494 CA LEU A 28 6.129 -10.245 3.961 1.00 0.00 C ATOM 495 C LEU A 28 4.683 -10.096 3.497 1.00 0.00 C ATOM 496 O LEU A 28 3.771 -10.689 4.074 1.00 0.00 O ATOM 497 CB LEU A 28 6.567 -8.988 4.714 1.00 0.00 C ATOM 498 CG LEU A 28 8.059 -8.880 5.030 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.341 -7.633 5.854 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.540 -10.125 5.762 1.00 0.00 C ATOM 0 H LEU A 28 7.698 -9.751 2.661 1.00 0.00 H new ATOM 0 HA LEU A 28 6.190 -11.102 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.277 -8.117 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.013 -8.939 5.651 1.00 0.00 H new ATOM 0 HG LEU A 28 8.605 -8.801 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.408 -7.573 6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.033 -6.750 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.784 -7.682 6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.604 -10.031 5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.988 -10.235 6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.373 -11.002 5.137 1.00 0.00 H new ATOM 512 N PHE A 29 4.482 -9.302 2.451 1.00 0.00 N ATOM 513 CA PHE A 29 3.148 -9.078 1.908 1.00 0.00 C ATOM 514 C PHE A 29 2.604 -10.346 1.257 1.00 0.00 C ATOM 515 O PHE A 29 1.400 -10.602 1.281 1.00 0.00 O ATOM 516 CB PHE A 29 3.175 -7.937 0.888 1.00 0.00 C ATOM 517 CG PHE A 29 3.087 -6.573 1.510 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.176 -6.026 2.169 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.914 -5.838 1.438 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.099 -4.770 2.742 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.830 -4.583 2.009 1.00 0.00 C ATOM 522 CZ PHE A 29 2.923 -4.049 2.663 1.00 0.00 C ATOM 0 H PHE A 29 5.226 -8.803 1.963 1.00 0.00 H new ATOM 0 HA PHE A 29 2.489 -8.804 2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.094 -8.003 0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.346 -8.064 0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.096 -6.587 2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.056 -6.251 0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.956 -4.353 3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.911 -4.020 1.944 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.859 -3.069 3.112 1.00 0.00 H new ATOM 532 N SER A 30 3.500 -11.135 0.674 1.00 0.00 N ATOM 533 CA SER A 30 3.110 -12.375 0.013 1.00 0.00 C ATOM 534 C SER A 30 2.515 -13.361 1.012 1.00 0.00 C ATOM 535 O SER A 30 1.573 -14.088 0.697 1.00 0.00 O ATOM 536 CB SER A 30 4.317 -13.005 -0.687 1.00 0.00 C ATOM 537 OG SER A 30 4.114 -14.390 -0.903 1.00 0.00 O ATOM 0 H SER A 30 4.500 -10.938 0.646 1.00 0.00 H new ATOM 0 HA SER A 30 2.350 -12.137 -0.731 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.490 -12.506 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.211 -12.855 -0.082 1.00 0.00 H new ATOM 0 HG SER A 30 4.898 -14.769 -1.353 1.00 0.00 H new ATOM 543 N GLN A 31 3.073 -13.381 2.218 1.00 0.00 N ATOM 544 CA GLN A 31 2.598 -14.278 3.264 1.00 0.00 C ATOM 545 C GLN A 31 1.105 -14.085 3.512 1.00 0.00 C ATOM 546 O GLN A 31 0.396 -15.030 3.855 1.00 0.00 O ATOM 547 CB GLN A 31 3.376 -14.042 4.560 1.00 0.00 C ATOM 548 CG GLN A 31 4.821 -14.511 4.496 1.00 0.00 C ATOM 549 CD GLN A 31 5.361 -14.923 5.851 1.00 0.00 C ATOM 550 OE1 GLN A 31 4.889 -15.887 6.454 1.00 0.00 O ATOM 551 NE2 GLN A 31 6.356 -14.192 6.339 1.00 0.00 N ATOM 0 H GLN A 31 3.854 -12.786 2.495 1.00 0.00 H new ATOM 0 HA GLN A 31 2.763 -15.302 2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.358 -12.978 4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.871 -14.558 5.376 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.896 -15.353 3.808 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.441 -13.712 4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.717 -13.401 5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.759 -14.421 7.247 1.00 0.00 H new ATOM 560 N ILE A 32 0.636 -12.855 3.335 1.00 0.00 N ATOM 561 CA ILE A 32 -0.772 -12.538 3.539 1.00 0.00 C ATOM 562 C ILE A 32 -1.585 -12.814 2.279 1.00 0.00 C ATOM 563 O ILE A 32 -2.584 -13.531 2.317 1.00 0.00 O ATOM 564 CB ILE A 32 -0.965 -11.066 3.948 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.202 -10.769 5.240 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.444 -10.752 4.115 1.00 0.00 C ATOM 567 CD1 ILE A 32 -0.095 -9.292 5.553 1.00 0.00 C ATOM 0 H ILE A 32 1.210 -12.061 3.051 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.126 -13.180 4.346 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.566 -10.429 3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.698 -11.273 6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.801 -11.190 5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.564 -9.708 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.962 -10.929 3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.867 -11.393 4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.458 -9.156 6.482 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.428 -8.785 4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.094 -8.870 5.660 1.00 0.00 H new ATOM 579 N GLY A 33 -1.148 -12.242 1.161 1.00 0.00 N ATOM 580 CA GLY A 33 -1.845 -12.440 -0.097 1.00 0.00 C ATOM 581 C GLY A 33 -0.920 -12.349 -1.293 1.00 0.00 C ATOM 582 O GLY A 33 0.223 -11.904 -1.190 1.00 0.00 O ATOM 0 H GLY A 33 -0.323 -11.645 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.330 -13.416 -0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.633 -11.693 -0.194 1.00 0.00 H new ATOM 586 N PRO A 34 -1.415 -12.781 -2.463 1.00 0.00 N ATOM 587 CA PRO A 34 -0.640 -12.758 -3.708 1.00 0.00 C ATOM 588 C PRO A 34 -0.405 -11.340 -4.218 1.00 0.00 C ATOM 589 O PRO A 34 -1.350 -10.567 -4.386 1.00 0.00 O ATOM 590 CB PRO A 34 -1.520 -13.541 -4.686 1.00 0.00 C ATOM 591 CG PRO A 34 -2.904 -13.390 -4.157 1.00 0.00 C ATOM 592 CD PRO A 34 -2.770 -13.324 -2.660 1.00 0.00 C ATOM 0 HA PRO A 34 0.356 -13.181 -3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.438 -13.144 -5.698 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.226 -14.590 -4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.375 -12.487 -4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.530 -14.231 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.529 -12.680 -2.216 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.879 -14.307 -2.203 1.00 0.00 H new ATOM 600 N CYS A 35 0.856 -11.006 -4.462 1.00 0.00 N ATOM 601 CA CYS A 35 1.215 -9.681 -4.954 1.00 0.00 C ATOM 602 C CYS A 35 1.363 -9.685 -6.472 1.00 0.00 C ATOM 603 O CYS A 35 2.041 -10.543 -7.037 1.00 0.00 O ATOM 604 CB CYS A 35 2.515 -9.208 -4.303 1.00 0.00 C ATOM 605 SG CYS A 35 2.450 -9.120 -2.499 1.00 0.00 S ATOM 0 H CYS A 35 1.648 -11.634 -4.327 1.00 0.00 H new ATOM 0 HA CYS A 35 0.413 -8.992 -4.688 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.320 -9.882 -4.594 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.767 -8.223 -4.695 1.00 0.00 H new ATOM 0 HG CYS A 35 1.211 -9.051 -2.112 1.00 0.00 H new ATOM 611 N LYS A 36 0.722 -8.723 -7.125 1.00 0.00 N ATOM 612 CA LYS A 36 0.781 -8.614 -8.579 1.00 0.00 C ATOM 613 C LYS A 36 2.117 -8.031 -9.028 1.00 0.00 C ATOM 614 O LYS A 36 2.762 -8.558 -9.933 1.00 0.00 O ATOM 615 CB LYS A 36 -0.367 -7.742 -9.093 1.00 0.00 C ATOM 616 CG LYS A 36 -0.839 -8.118 -10.487 1.00 0.00 C ATOM 617 CD LYS A 36 -2.315 -7.813 -10.677 1.00 0.00 C ATOM 618 CE LYS A 36 -2.694 -7.787 -12.150 1.00 0.00 C ATOM 619 NZ LYS A 36 -4.138 -7.479 -12.345 1.00 0.00 N ATOM 0 H LYS A 36 0.155 -8.007 -6.671 1.00 0.00 H new ATOM 0 HA LYS A 36 0.683 -9.616 -8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.206 -7.817 -8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.048 -6.700 -9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.255 -7.573 -11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.661 -9.180 -10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.912 -8.564 -10.160 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.550 -6.850 -10.223 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.090 -7.041 -12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.464 -8.752 -12.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.357 -7.470 -13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.715 -8.204 -11.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.352 -6.547 -11.937 1.00 0.00 H new ATOM 633 N SER A 37 2.528 -6.942 -8.385 1.00 0.00 N ATOM 634 CA SER A 37 3.785 -6.286 -8.720 1.00 0.00 C ATOM 635 C SER A 37 4.186 -5.292 -7.634 1.00 0.00 C ATOM 636 O SER A 37 3.335 -4.622 -7.047 1.00 0.00 O ATOM 637 CB SER A 37 3.669 -5.568 -10.066 1.00 0.00 C ATOM 638 OG SER A 37 3.907 -6.460 -11.142 1.00 0.00 O ATOM 0 H SER A 37 2.008 -6.496 -7.629 1.00 0.00 H new ATOM 0 HA SER A 37 4.557 -7.052 -8.791 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.675 -5.131 -10.164 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.384 -4.746 -10.106 1.00 0.00 H new ATOM 0 HG SER A 37 3.764 -7.382 -10.841 1.00 0.00 H new ATOM 644 N CYS A 38 5.485 -5.202 -7.374 1.00 0.00 N ATOM 645 CA CYS A 38 6.000 -4.291 -6.358 1.00 0.00 C ATOM 646 C CYS A 38 7.110 -3.413 -6.926 1.00 0.00 C ATOM 647 O CYS A 38 8.063 -3.911 -7.528 1.00 0.00 O ATOM 648 CB CYS A 38 6.520 -5.077 -5.154 1.00 0.00 C ATOM 649 SG CYS A 38 7.348 -4.059 -3.909 1.00 0.00 S ATOM 0 H CYS A 38 6.201 -5.749 -7.852 1.00 0.00 H new ATOM 0 HA CYS A 38 5.182 -3.647 -6.036 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.685 -5.597 -4.685 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.215 -5.840 -5.504 1.00 0.00 H new ATOM 0 HG CYS A 38 6.687 -2.952 -3.745 1.00 0.00 H new ATOM 655 N LYS A 39 6.982 -2.105 -6.734 1.00 0.00 N ATOM 656 CA LYS A 39 7.974 -1.157 -7.226 1.00 0.00 C ATOM 657 C LYS A 39 8.551 -0.329 -6.083 1.00 0.00 C ATOM 658 O LYS A 39 7.833 0.422 -5.424 1.00 0.00 O ATOM 659 CB LYS A 39 7.349 -0.233 -8.274 1.00 0.00 C ATOM 660 CG LYS A 39 8.332 0.756 -8.877 1.00 0.00 C ATOM 661 CD LYS A 39 7.660 1.659 -9.897 1.00 0.00 C ATOM 662 CE LYS A 39 8.683 2.393 -10.751 1.00 0.00 C ATOM 663 NZ LYS A 39 9.265 3.563 -10.037 1.00 0.00 N ATOM 0 H LYS A 39 6.199 -1.676 -6.240 1.00 0.00 H new ATOM 0 HA LYS A 39 8.784 -1.723 -7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.921 -0.840 -9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.527 0.318 -7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.770 1.363 -8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.149 0.214 -9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.009 1.064 -10.538 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.027 2.383 -9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.481 1.706 -11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.211 2.729 -11.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.650 4.236 -10.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.525 4.030 -9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.027 3.241 -9.406 1.00 0.00 H new ATOM 677 N MET A 40 9.852 -0.472 -5.854 1.00 0.00 N ATOM 678 CA MET A 40 10.526 0.266 -4.792 1.00 0.00 C ATOM 679 C MET A 40 11.213 1.511 -5.344 1.00 0.00 C ATOM 680 O MET A 40 12.099 1.416 -6.194 1.00 0.00 O ATOM 681 CB MET A 40 11.552 -0.629 -4.093 1.00 0.00 C ATOM 682 CG MET A 40 12.237 0.041 -2.912 1.00 0.00 C ATOM 683 SD MET A 40 13.273 -1.098 -1.973 1.00 0.00 S ATOM 684 CE MET A 40 12.166 -1.535 -0.633 1.00 0.00 C ATOM 0 H MET A 40 10.460 -1.092 -6.389 1.00 0.00 H new ATOM 0 HA MET A 40 9.774 0.580 -4.068 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.056 -1.536 -3.748 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.308 -0.934 -4.816 1.00 0.00 H new ATOM 0 HG2 MET A 40 12.848 0.869 -3.273 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.481 0.467 -2.252 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.693 -1.450 0.317 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.309 -0.861 -0.634 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.821 -2.560 -0.766 1.00 0.00 H new ATOM 694 N ILE A 41 10.797 2.675 -4.858 1.00 0.00 N ATOM 695 CA ILE A 41 11.373 3.938 -5.303 1.00 0.00 C ATOM 696 C ILE A 41 12.218 4.575 -4.205 1.00 0.00 C ATOM 697 O ILE A 41 11.725 4.865 -3.115 1.00 0.00 O ATOM 698 CB ILE A 41 10.281 4.933 -5.738 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.209 4.219 -6.562 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.892 6.078 -6.531 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.165 5.153 -7.135 1.00 0.00 C ATOM 0 H ILE A 41 10.063 2.770 -4.156 1.00 0.00 H new ATOM 0 HA ILE A 41 12.007 3.710 -6.160 1.00 0.00 H new ATOM 0 HB ILE A 41 9.811 5.346 -4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.689 3.679 -7.378 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.715 3.476 -5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.107 6.772 -6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.622 6.600 -5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.386 5.683 -7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.437 4.578 -7.707 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.658 5.674 -6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.647 5.881 -7.788 1.00 0.00 H new ATOM 810 N PRO A 49 12.917 6.009 1.893 1.00 0.00 N ATOM 811 CA PRO A 49 12.390 5.484 0.631 1.00 0.00 C ATOM 812 C PRO A 49 10.963 4.964 0.770 1.00 0.00 C ATOM 813 O PRO A 49 10.415 4.914 1.871 1.00 0.00 O ATOM 814 CB PRO A 49 13.347 4.336 0.298 1.00 0.00 C ATOM 815 CG PRO A 49 13.898 3.908 1.613 1.00 0.00 C ATOM 816 CD PRO A 49 13.974 5.153 2.454 1.00 0.00 C ATOM 0 HA PRO A 49 12.338 6.252 -0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.826 3.517 -0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.139 4.664 -0.375 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.257 3.160 2.080 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.883 3.456 1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.799 4.937 3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.954 5.626 2.384 1.00 0.00 H new ATOM 824 N TYR A 50 10.367 4.578 -0.353 1.00 0.00 N ATOM 825 CA TYR A 50 9.003 4.064 -0.356 1.00 0.00 C ATOM 826 C TYR A 50 8.771 3.140 -1.548 1.00 0.00 C ATOM 827 O TYR A 50 9.332 3.345 -2.626 1.00 0.00 O ATOM 828 CB TYR A 50 8.000 5.219 -0.389 1.00 0.00 C ATOM 829 CG TYR A 50 7.963 5.951 -1.713 1.00 0.00 C ATOM 830 CD1 TYR A 50 7.149 5.512 -2.750 1.00 0.00 C ATOM 831 CD2 TYR A 50 8.744 7.081 -1.925 1.00 0.00 C ATOM 832 CE1 TYR A 50 7.114 6.178 -3.960 1.00 0.00 C ATOM 833 CE2 TYR A 50 8.713 7.754 -3.131 1.00 0.00 C ATOM 834 CZ TYR A 50 7.898 7.298 -4.146 1.00 0.00 C ATOM 835 OH TYR A 50 7.864 7.964 -5.349 1.00 0.00 O ATOM 0 H TYR A 50 10.807 4.611 -1.272 1.00 0.00 H new ATOM 0 HA TYR A 50 8.856 3.490 0.559 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.005 4.832 -0.169 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.248 5.927 0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.534 4.636 -2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.386 7.439 -1.134 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.476 5.824 -4.756 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.324 8.633 -3.278 1.00 0.00 H new ATOM 0 HH TYR A 50 8.473 8.731 -5.316 1.00 0.00 H new ATOM 845 N CYS A 51 7.941 2.123 -1.347 1.00 0.00 N ATOM 846 CA CYS A 51 7.634 1.166 -2.403 1.00 0.00 C ATOM 847 C CYS A 51 6.128 0.963 -2.533 1.00 0.00 C ATOM 848 O CYS A 51 5.372 1.227 -1.597 1.00 0.00 O ATOM 849 CB CYS A 51 8.319 -0.172 -2.123 1.00 0.00 C ATOM 850 SG CYS A 51 7.338 -1.306 -1.111 1.00 0.00 S ATOM 0 H CYS A 51 7.468 1.940 -0.462 1.00 0.00 H new ATOM 0 HA CYS A 51 8.010 1.568 -3.344 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.549 -0.656 -3.072 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.269 0.016 -1.622 1.00 0.00 H new ATOM 0 HG CYS A 51 7.884 -1.423 0.063 1.00 0.00 H new ATOM 856 N PHE A 52 5.698 0.494 -3.699 1.00 0.00 N ATOM 857 CA PHE A 52 4.280 0.258 -3.953 1.00 0.00 C ATOM 858 C PHE A 52 3.984 -1.237 -4.032 1.00 0.00 C ATOM 859 O PHE A 52 4.723 -1.996 -4.658 1.00 0.00 O ATOM 860 CB PHE A 52 3.852 0.944 -5.251 1.00 0.00 C ATOM 861 CG PHE A 52 3.911 2.444 -5.184 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.175 3.138 -4.237 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.703 3.159 -6.068 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.227 4.517 -4.174 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.758 4.539 -6.010 1.00 0.00 C ATOM 866 CZ PHE A 52 4.020 5.219 -5.061 1.00 0.00 C ATOM 0 H PHE A 52 6.310 0.270 -4.484 1.00 0.00 H new ATOM 0 HA PHE A 52 3.712 0.680 -3.124 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.492 0.599 -6.063 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.835 0.639 -5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.554 2.595 -3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.284 2.632 -6.811 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.648 5.046 -3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.377 5.085 -6.706 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.063 6.297 -5.012 1.00 0.00 H new ATOM 876 N VAL A 53 2.896 -1.653 -3.392 1.00 0.00 N ATOM 877 CA VAL A 53 2.499 -3.056 -3.389 1.00 0.00 C ATOM 878 C VAL A 53 1.095 -3.231 -3.955 1.00 0.00 C ATOM 879 O VAL A 53 0.120 -2.746 -3.384 1.00 0.00 O ATOM 880 CB VAL A 53 2.547 -3.651 -1.969 1.00 0.00 C ATOM 881 CG1 VAL A 53 2.092 -5.102 -1.982 1.00 0.00 C ATOM 882 CG2 VAL A 53 3.947 -3.528 -1.386 1.00 0.00 C ATOM 0 H VAL A 53 2.273 -1.038 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 53 3.211 -3.587 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 53 1.863 -3.087 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.133 -5.505 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.069 -5.159 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.747 -5.683 -2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.962 -3.953 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.653 -4.066 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.230 -2.477 -1.338 1.00 0.00 H new ATOM 892 N GLU A 54 1.000 -3.930 -5.082 1.00 0.00 N ATOM 893 CA GLU A 54 -0.286 -4.168 -5.727 1.00 0.00 C ATOM 894 C GLU A 54 -0.738 -5.611 -5.520 1.00 0.00 C ATOM 895 O GLU A 54 0.056 -6.545 -5.636 1.00 0.00 O ATOM 896 CB GLU A 54 -0.198 -3.860 -7.223 1.00 0.00 C ATOM 897 CG GLU A 54 -1.520 -4.017 -7.956 1.00 0.00 C ATOM 898 CD GLU A 54 -1.360 -3.975 -9.463 1.00 0.00 C ATOM 899 OE1 GLU A 54 -1.429 -2.868 -10.037 1.00 0.00 O ATOM 900 OE2 GLU A 54 -1.166 -5.049 -10.069 1.00 0.00 O ATOM 0 H GLU A 54 1.798 -4.341 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.021 -3.505 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.162 -2.840 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.541 -4.520 -7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.980 -4.963 -7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.200 -3.224 -7.644 1.00 0.00 H new ATOM 907 N PHE A 55 -2.019 -5.786 -5.214 1.00 0.00 N ATOM 908 CA PHE A 55 -2.577 -7.114 -4.990 1.00 0.00 C ATOM 909 C PHE A 55 -3.552 -7.490 -6.102 1.00 0.00 C ATOM 910 O PHE A 55 -3.997 -6.634 -6.869 1.00 0.00 O ATOM 911 CB PHE A 55 -3.286 -7.170 -3.635 1.00 0.00 C ATOM 912 CG PHE A 55 -2.354 -7.404 -2.480 1.00 0.00 C ATOM 913 CD1 PHE A 55 -2.030 -8.690 -2.083 1.00 0.00 C ATOM 914 CD2 PHE A 55 -1.802 -6.334 -1.793 1.00 0.00 C ATOM 915 CE1 PHE A 55 -1.173 -8.907 -1.021 1.00 0.00 C ATOM 916 CE2 PHE A 55 -0.944 -6.545 -0.730 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.630 -7.833 -0.342 1.00 0.00 C ATOM 0 H PHE A 55 -2.690 -5.024 -5.115 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.756 -7.831 -4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.822 -6.234 -3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.032 -7.965 -3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.452 -9.533 -2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.045 -5.325 -2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.928 -9.915 -0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.519 -5.703 -0.203 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.038 -8.000 0.490 1.00 0.00 H new ATOM 927 N TYR A 56 -3.881 -8.774 -6.185 1.00 0.00 N ATOM 928 CA TYR A 56 -4.800 -9.264 -7.204 1.00 0.00 C ATOM 929 C TYR A 56 -6.228 -8.814 -6.912 1.00 0.00 C ATOM 930 O TYR A 56 -6.977 -8.460 -7.822 1.00 0.00 O ATOM 931 CB TYR A 56 -4.741 -10.791 -7.284 1.00 0.00 C ATOM 932 CG TYR A 56 -3.559 -11.311 -8.070 1.00 0.00 C ATOM 933 CD1 TYR A 56 -2.317 -11.476 -7.469 1.00 0.00 C ATOM 934 CD2 TYR A 56 -3.685 -11.638 -9.415 1.00 0.00 C ATOM 935 CE1 TYR A 56 -1.234 -11.950 -8.184 1.00 0.00 C ATOM 936 CE2 TYR A 56 -2.607 -12.114 -10.137 1.00 0.00 C ATOM 937 CZ TYR A 56 -1.385 -12.268 -9.517 1.00 0.00 C ATOM 938 OH TYR A 56 -0.309 -12.743 -10.233 1.00 0.00 O ATOM 0 H TYR A 56 -3.524 -9.495 -5.558 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.495 -8.845 -8.163 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.702 -11.198 -6.274 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.660 -11.158 -7.741 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.196 -11.229 -6.425 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.641 -11.518 -9.904 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.275 -12.071 -7.702 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.721 -12.364 -11.181 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.583 -12.920 -11.157 1.00 0.00 H new ATOM 948 N GLU A 57 -6.598 -8.832 -5.635 1.00 0.00 N ATOM 949 CA GLU A 57 -7.936 -8.425 -5.222 1.00 0.00 C ATOM 950 C GLU A 57 -7.869 -7.365 -4.128 1.00 0.00 C ATOM 951 O GLU A 57 -6.814 -7.134 -3.534 1.00 0.00 O ATOM 952 CB GLU A 57 -8.731 -9.636 -4.727 1.00 0.00 C ATOM 953 CG GLU A 57 -8.626 -10.847 -5.640 1.00 0.00 C ATOM 954 CD GLU A 57 -9.861 -11.725 -5.586 1.00 0.00 C ATOM 955 OE1 GLU A 57 -10.895 -11.328 -6.163 1.00 0.00 O ATOM 956 OE2 GLU A 57 -9.794 -12.808 -4.968 1.00 0.00 O ATOM 0 H GLU A 57 -5.990 -9.124 -4.869 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.441 -7.997 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.379 -9.910 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.780 -9.356 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.467 -10.512 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.753 -11.436 -5.358 1.00 0.00 H new ATOM 963 N HIS A 58 -9.002 -6.721 -3.865 1.00 0.00 N ATOM 964 CA HIS A 58 -9.073 -5.684 -2.842 1.00 0.00 C ATOM 965 C HIS A 58 -9.025 -6.296 -1.445 1.00 0.00 C ATOM 966 O HIS A 58 -8.492 -5.694 -0.512 1.00 0.00 O ATOM 967 CB HIS A 58 -10.351 -4.861 -3.007 1.00 0.00 C ATOM 968 CG HIS A 58 -10.581 -3.883 -1.897 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.074 -2.600 -1.907 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.271 -4.004 -0.739 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.440 -1.976 -0.802 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.167 -2.806 -0.076 1.00 0.00 N ATOM 0 H HIS A 58 -9.883 -6.899 -4.346 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.210 -5.029 -2.963 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.306 -4.321 -3.953 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.204 -5.537 -3.067 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.505 -2.196 -2.651 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.804 -4.880 -0.400 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.188 -0.960 -0.537 1.00 0.00 H new ATOM 980 N ARG A 59 -9.585 -7.492 -1.309 1.00 0.00 N ATOM 981 CA ARG A 59 -9.608 -8.184 -0.026 1.00 0.00 C ATOM 982 C ARG A 59 -8.192 -8.415 0.493 1.00 0.00 C ATOM 983 O ARG A 59 -7.934 -8.310 1.692 1.00 0.00 O ATOM 984 CB ARG A 59 -10.339 -9.521 -0.155 1.00 0.00 C ATOM 985 CG ARG A 59 -9.664 -10.495 -1.106 1.00 0.00 C ATOM 986 CD ARG A 59 -10.562 -11.682 -1.421 1.00 0.00 C ATOM 987 NE ARG A 59 -11.407 -11.435 -2.587 1.00 0.00 N ATOM 988 CZ ARG A 59 -12.467 -12.173 -2.895 1.00 0.00 C ATOM 989 NH1 ARG A 59 -12.811 -13.199 -2.129 1.00 0.00 N ATOM 990 NH2 ARG A 59 -13.186 -11.886 -3.973 1.00 0.00 N ATOM 0 H ARG A 59 -10.029 -8.003 -2.072 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.140 -7.554 0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.414 -9.981 0.830 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.357 -9.337 -0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.403 -9.980 -2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.733 -10.849 -0.664 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.947 -12.564 -1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.190 -11.900 -0.558 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.170 -10.653 -3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.261 -13.424 -1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.626 -13.764 -2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.924 -11.098 -4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.000 -12.453 -4.209 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.278 -8.730 -0.418 1.00 0.00 N ATOM 1005 CA ASP A 60 -5.887 -8.975 -0.053 1.00 0.00 C ATOM 1006 C ASP A 60 -5.181 -7.671 0.304 1.00 0.00 C ATOM 1007 O ASP A 60 -4.483 -7.588 1.314 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.152 -9.669 -1.201 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.932 -10.841 -1.763 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.068 -11.859 -1.053 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -6.407 -10.741 -2.915 1.00 0.00 O ATOM 0 H ASP A 60 -7.475 -8.822 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.875 -9.625 0.822 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.962 -8.948 -1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.181 -10.018 -0.849 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.367 -6.655 -0.532 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.749 -5.354 -0.303 1.00 0.00 C ATOM 1018 C ALA A 61 -5.174 -4.773 1.041 1.00 0.00 C ATOM 1019 O ALA A 61 -4.360 -4.203 1.766 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.103 -4.396 -1.430 1.00 0.00 C ATOM 0 H ALA A 61 -5.940 -6.707 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.668 -5.491 -0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.635 -3.429 -1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.743 -4.799 -2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.185 -4.273 -1.476 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.454 -4.921 1.366 1.00 0.00 N ATOM 1027 CA ALA A 62 -6.986 -4.412 2.624 1.00 0.00 C ATOM 1028 C ALA A 62 -6.430 -5.191 3.811 1.00 0.00 C ATOM 1029 O ALA A 62 -6.069 -4.609 4.834 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.506 -4.473 2.617 1.00 0.00 C ATOM 0 H ALA A 62 -7.142 -5.389 0.776 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.675 -3.372 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.890 -4.090 3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.891 -3.867 1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.828 -5.506 2.487 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.363 -6.511 3.668 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.850 -7.369 4.729 1.00 0.00 C ATOM 1038 C ALA A 63 -4.370 -7.101 4.983 1.00 0.00 C ATOM 1039 O ALA A 63 -3.944 -6.953 6.127 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.071 -8.833 4.378 1.00 0.00 C ATOM 0 H ALA A 63 -6.658 -7.009 2.828 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.397 -7.140 5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.683 -9.462 5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.138 -9.020 4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.551 -9.067 3.449 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.591 -7.042 3.907 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.159 -6.792 4.014 1.00 0.00 C ATOM 1048 C ALA A 64 -1.884 -5.361 4.466 1.00 0.00 C ATOM 1049 O ALA A 64 -0.918 -5.101 5.185 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.474 -7.069 2.683 1.00 0.00 C ATOM 0 H ALA A 64 -3.928 -7.164 2.952 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.752 -7.467 4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.405 -6.878 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.633 -8.110 2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.893 -6.417 1.916 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.738 -4.437 4.040 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.586 -3.032 4.401 1.00 0.00 C ATOM 1058 C LEU A 65 -2.646 -2.849 5.913 1.00 0.00 C ATOM 1059 O LEU A 65 -1.771 -2.220 6.507 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.676 -2.193 3.730 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.892 -0.792 4.303 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.842 0.170 3.770 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.291 -0.292 3.976 1.00 0.00 C ATOM 0 H LEU A 65 -3.542 -4.635 3.445 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.610 -2.695 4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.433 -2.098 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.617 -2.739 3.793 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.791 -0.844 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.012 1.162 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.850 -0.180 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.911 0.218 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.427 0.706 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.421 -0.256 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.029 -0.968 4.407 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.683 -3.404 6.531 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.855 -3.305 7.976 1.00 0.00 C ATOM 1077 C ALA A 66 -2.782 -4.100 8.711 1.00 0.00 C ATOM 1078 O ALA A 66 -2.234 -3.642 9.713 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.241 -3.787 8.377 1.00 0.00 C ATOM 0 H ALA A 66 -4.417 -3.927 6.054 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.752 -2.257 8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.355 -3.707 9.458 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.996 -3.173 7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.366 -4.827 8.074 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.487 -5.294 8.207 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.478 -6.152 8.816 1.00 0.00 C ATOM 1087 C ALA A 67 -0.087 -5.543 8.685 1.00 0.00 C ATOM 1088 O ALA A 67 0.757 -5.705 9.566 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.512 -7.537 8.184 1.00 0.00 C ATOM 0 H ALA A 67 -2.932 -5.689 7.379 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.707 -6.243 9.878 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.754 -8.167 8.648 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.496 -7.982 8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.311 -7.455 7.116 1.00 0.00 H new ATOM 1095 N MET A 68 0.145 -4.842 7.580 1.00 0.00 N ATOM 1096 CA MET A 68 1.435 -4.208 7.335 1.00 0.00 C ATOM 1097 C MET A 68 1.411 -2.744 7.764 1.00 0.00 C ATOM 1098 O MET A 68 2.458 -2.111 7.899 1.00 0.00 O ATOM 1099 CB MET A 68 1.805 -4.312 5.855 1.00 0.00 C ATOM 1100 CG MET A 68 1.885 -5.742 5.347 1.00 0.00 C ATOM 1101 SD MET A 68 3.183 -6.697 6.157 1.00 0.00 S ATOM 1102 CE MET A 68 4.559 -5.554 6.053 1.00 0.00 C ATOM 0 H MET A 68 -0.543 -4.699 6.841 1.00 0.00 H new ATOM 0 HA MET A 68 2.187 -4.730 7.927 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.068 -3.767 5.266 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.766 -3.824 5.694 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.925 -6.234 5.505 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.064 -5.732 4.272 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.493 -6.113 5.996 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.451 -4.935 5.162 1.00 0.00 H new ATOM 0 HE3 MET A 68 4.571 -4.917 6.938 1.00 0.00 H new ATOM 1112 N ASN A 69 0.212 -2.214 7.977 1.00 0.00 N ATOM 1113 CA ASN A 69 0.053 -0.824 8.389 1.00 0.00 C ATOM 1114 C ASN A 69 0.841 -0.541 9.664 1.00 0.00 C ATOM 1115 O ASN A 69 0.454 -0.963 10.753 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.426 -0.502 8.610 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.629 0.657 9.567 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -1.542 0.493 10.784 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.902 1.836 9.019 1.00 0.00 N ATOM 0 H ASN A 69 -0.664 -2.725 7.871 1.00 0.00 H new ATOM 0 HA ASN A 69 0.442 -0.189 7.593 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.890 -0.265 7.653 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.933 -1.385 9.000 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.049 2.652 9.612 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.964 1.925 8.005 1.00 0.00 H new ATOM 1126 N GLY A 70 1.952 0.175 9.520 1.00 0.00 N ATOM 1127 CA GLY A 70 2.777 0.503 10.668 1.00 0.00 C ATOM 1128 C GLY A 70 3.411 -0.723 11.295 1.00 0.00 C ATOM 1129 O GLY A 70 3.580 -0.789 12.513 1.00 0.00 O ATOM 0 H GLY A 70 2.295 0.534 8.629 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.560 1.197 10.363 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.169 1.016 11.414 1.00 0.00 H new ATOM 1133 N ARG A 71 3.761 -1.698 10.462 1.00 0.00 N ATOM 1134 CA ARG A 71 4.376 -2.930 10.943 1.00 0.00 C ATOM 1135 C ARG A 71 5.866 -2.728 11.199 1.00 0.00 C ATOM 1136 O ARG A 71 6.475 -1.789 10.685 1.00 0.00 O ATOM 1137 CB ARG A 71 4.169 -4.057 9.929 1.00 0.00 C ATOM 1138 CG ARG A 71 4.084 -5.437 10.562 1.00 0.00 C ATOM 1139 CD ARG A 71 4.333 -6.534 9.540 1.00 0.00 C ATOM 1140 NE ARG A 71 5.747 -6.888 9.449 1.00 0.00 N ATOM 1141 CZ ARG A 71 6.373 -7.651 10.340 1.00 0.00 C ATOM 1142 NH1 ARG A 71 5.711 -8.136 11.383 1.00 0.00 N ATOM 1143 NH2 ARG A 71 7.660 -7.928 10.189 1.00 0.00 N ATOM 0 H ARG A 71 3.629 -1.659 9.451 1.00 0.00 H new ATOM 0 HA ARG A 71 3.897 -3.204 11.883 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.254 -3.867 9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.990 -4.045 9.212 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.815 -5.515 11.367 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.100 -5.573 11.011 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.755 -7.418 9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.978 -6.206 8.563 1.00 0.00 H new ATOM 0 HE ARG A 71 6.284 -6.530 8.659 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.720 -7.924 11.502 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.193 -8.721 12.066 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.171 -7.556 9.389 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.139 -8.513 10.873 1.00 0.00 H new ATOM 1157 N LYS A 72 6.450 -3.616 11.997 1.00 0.00 N ATOM 1158 CA LYS A 72 7.869 -3.537 12.322 1.00 0.00 C ATOM 1159 C LYS A 72 8.694 -4.391 11.365 1.00 0.00 C ATOM 1160 O LYS A 72 8.521 -5.609 11.297 1.00 0.00 O ATOM 1161 CB LYS A 72 8.109 -3.993 13.763 1.00 0.00 C ATOM 1162 CG LYS A 72 8.016 -2.868 14.780 1.00 0.00 C ATOM 1163 CD LYS A 72 9.382 -2.275 15.081 1.00 0.00 C ATOM 1164 CE LYS A 72 9.958 -1.558 13.869 1.00 0.00 C ATOM 1165 NZ LYS A 72 10.742 -2.479 13.002 1.00 0.00 N ATOM 0 H LYS A 72 5.962 -4.399 12.431 1.00 0.00 H new ATOM 0 HA LYS A 72 8.183 -2.498 12.218 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.381 -4.763 14.018 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.095 -4.452 13.831 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.355 -2.088 14.402 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.571 -3.245 15.701 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.301 -1.576 15.914 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.063 -3.067 15.394 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.148 -1.115 13.290 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.597 -0.739 14.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.800 -2.086 12.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.701 -2.589 13.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.274 -3.407 12.969 1.00 0.00 H new ATOM 1179 N ILE A 73 9.591 -3.746 10.627 1.00 0.00 N ATOM 1180 CA ILE A 73 10.444 -4.448 9.676 1.00 0.00 C ATOM 1181 C ILE A 73 11.891 -3.977 9.784 1.00 0.00 C ATOM 1182 O ILE A 73 12.193 -2.804 9.553 1.00 0.00 O ATOM 1183 CB ILE A 73 9.958 -4.246 8.229 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.522 -4.751 8.075 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.883 -4.960 7.255 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.881 -4.364 6.761 1.00 0.00 C ATOM 0 H ILE A 73 9.746 -2.739 10.669 1.00 0.00 H new ATOM 0 HA ILE A 73 10.389 -5.508 9.925 1.00 0.00 H new ATOM 0 HB ILE A 73 9.975 -3.180 8.001 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.516 -5.837 8.166 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.918 -4.359 8.893 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.526 -4.808 6.236 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.892 -4.558 7.350 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.895 -6.027 7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.865 -4.756 6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.854 -3.278 6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.461 -4.779 5.937 1.00 0.00 H new ATOM 1198 N LEU A 74 12.782 -4.897 10.134 1.00 0.00 N ATOM 1199 CA LEU A 74 14.199 -4.577 10.271 1.00 0.00 C ATOM 1200 C LEU A 74 14.411 -3.479 11.308 1.00 0.00 C ATOM 1201 O LEU A 74 15.233 -2.583 11.119 1.00 0.00 O ATOM 1202 CB LEU A 74 14.775 -4.140 8.923 1.00 0.00 C ATOM 1203 CG LEU A 74 14.732 -5.181 7.805 1.00 0.00 C ATOM 1204 CD1 LEU A 74 15.169 -4.566 6.485 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.605 -6.377 8.153 1.00 0.00 C ATOM 0 H LEU A 74 12.549 -5.871 10.328 1.00 0.00 H new ATOM 0 HA LEU A 74 14.719 -5.474 10.608 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.233 -3.255 8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.812 -3.841 9.074 1.00 0.00 H new ATOM 0 HG LEU A 74 13.704 -5.527 7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.132 -5.323 5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.501 -3.744 6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.188 -4.190 6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.561 -7.107 7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.635 -6.048 8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.245 -6.834 9.075 1.00 0.00 H new ATOM 1217 N GLY A 75 13.666 -3.556 12.406 1.00 0.00 N ATOM 1218 CA GLY A 75 13.789 -2.564 13.459 1.00 0.00 C ATOM 1219 C GLY A 75 13.188 -1.229 13.069 1.00 0.00 C ATOM 1220 O GLY A 75 13.164 -0.293 13.868 1.00 0.00 O ATOM 0 H GLY A 75 12.979 -4.288 12.586 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.297 -2.931 14.360 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.842 -2.427 13.704 1.00 0.00 H new ATOM 1224 N LYS A 76 12.703 -1.137 11.836 1.00 0.00 N ATOM 1225 CA LYS A 76 12.099 0.094 11.340 1.00 0.00 C ATOM 1226 C LYS A 76 10.623 -0.115 11.018 1.00 0.00 C ATOM 1227 O LYS A 76 10.270 -0.975 10.213 1.00 0.00 O ATOM 1228 CB LYS A 76 12.839 0.583 10.093 1.00 0.00 C ATOM 1229 CG LYS A 76 12.813 2.093 9.923 1.00 0.00 C ATOM 1230 CD LYS A 76 13.681 2.537 8.758 1.00 0.00 C ATOM 1231 CE LYS A 76 13.908 4.041 8.775 1.00 0.00 C ATOM 1232 NZ LYS A 76 12.790 4.778 8.123 1.00 0.00 N ATOM 0 H LYS A 76 12.716 -1.901 11.161 1.00 0.00 H new ATOM 0 HA LYS A 76 12.179 0.849 12.122 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.875 0.249 10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.395 0.119 9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.787 2.424 9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.161 2.569 10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.641 2.022 8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.207 2.250 7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.015 4.381 9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.843 4.273 8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.177 5.474 7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.183 4.106 7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.229 5.270 8.848 1.00 0.00 H new ATOM 1246 N GLU A 77 9.765 0.679 11.652 1.00 0.00 N ATOM 1247 CA GLU A 77 8.327 0.580 11.432 1.00 0.00 C ATOM 1248 C GLU A 77 7.942 1.172 10.079 1.00 0.00 C ATOM 1249 O GLU A 77 8.232 2.333 9.792 1.00 0.00 O ATOM 1250 CB GLU A 77 7.567 1.296 12.550 1.00 0.00 C ATOM 1251 CG GLU A 77 6.203 0.694 12.843 1.00 0.00 C ATOM 1252 CD GLU A 77 5.278 1.662 13.552 1.00 0.00 C ATOM 1253 OE1 GLU A 77 4.987 2.732 12.978 1.00 0.00 O ATOM 1254 OE2 GLU A 77 4.843 1.351 14.680 1.00 0.00 O ATOM 0 H GLU A 77 10.041 1.397 12.322 1.00 0.00 H new ATOM 0 HA GLU A 77 8.056 -0.476 11.437 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.168 1.272 13.459 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.441 2.344 12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.742 0.376 11.908 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.328 -0.198 13.456 1.00 0.00 H new ATOM 1261 N VAL A 78 7.288 0.364 9.251 1.00 0.00 N ATOM 1262 CA VAL A 78 6.862 0.805 7.928 1.00 0.00 C ATOM 1263 C VAL A 78 5.392 1.210 7.931 1.00 0.00 C ATOM 1264 O VAL A 78 4.547 0.518 8.501 1.00 0.00 O ATOM 1265 CB VAL A 78 7.079 -0.294 6.873 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.379 -1.039 7.136 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.899 -1.255 6.854 1.00 0.00 C ATOM 0 H VAL A 78 7.041 -0.600 9.473 1.00 0.00 H new ATOM 0 HA VAL A 78 7.473 1.670 7.670 1.00 0.00 H new ATOM 0 HB VAL A 78 7.151 0.177 5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.515 -1.812 6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.214 -0.340 7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.341 -1.500 8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.069 -2.026 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.793 -1.721 7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.988 -0.708 6.612 1.00 0.00 H new ATOM 1277 N LYS A 79 5.093 2.334 7.289 1.00 0.00 N ATOM 1278 CA LYS A 79 3.723 2.831 7.214 1.00 0.00 C ATOM 1279 C LYS A 79 3.074 2.438 5.891 1.00 0.00 C ATOM 1280 O LYS A 79 3.634 2.673 4.820 1.00 0.00 O ATOM 1281 CB LYS A 79 3.702 4.353 7.374 1.00 0.00 C ATOM 1282 CG LYS A 79 4.528 5.085 6.331 1.00 0.00 C ATOM 1283 CD LYS A 79 4.277 6.583 6.372 1.00 0.00 C ATOM 1284 CE LYS A 79 5.206 7.278 7.356 1.00 0.00 C ATOM 1285 NZ LYS A 79 4.776 7.069 8.766 1.00 0.00 N ATOM 0 H LYS A 79 5.780 2.918 6.813 1.00 0.00 H new ATOM 0 HA LYS A 79 3.153 2.379 8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.671 4.702 7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.073 4.611 8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.587 4.888 6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.287 4.702 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.419 7.004 5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.241 6.772 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.220 6.901 7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.232 8.346 7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.011 7.911 9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.749 6.908 8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.268 6.241 9.160 1.00 0.00 H new ATOM 1299 N VAL A 80 1.888 1.841 5.974 1.00 0.00 N ATOM 1300 CA VAL A 80 1.161 1.420 4.782 1.00 0.00 C ATOM 1301 C VAL A 80 -0.220 2.063 4.725 1.00 0.00 C ATOM 1302 O VAL A 80 -0.961 2.052 5.706 1.00 0.00 O ATOM 1303 CB VAL A 80 1.005 -0.112 4.733 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.358 -0.541 3.425 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.354 -0.791 4.919 1.00 0.00 C ATOM 0 H VAL A 80 1.411 1.639 6.853 1.00 0.00 H new ATOM 0 HA VAL A 80 1.746 1.746 3.922 1.00 0.00 H new ATOM 0 HB VAL A 80 0.354 -0.420 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.256 -1.626 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.627 -0.082 3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.981 -0.222 2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.225 -1.873 4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.031 -0.479 4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.773 -0.509 5.885 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.559 2.621 3.568 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.852 3.270 3.381 1.00 0.00 C ATOM 1317 C ASN A 81 -2.376 3.043 1.967 1.00 0.00 C ATOM 1318 O ASN A 81 -1.624 2.662 1.070 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.738 4.771 3.660 1.00 0.00 C ATOM 1320 CG ASN A 81 -1.926 5.102 5.128 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -0.963 5.146 5.894 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.171 5.336 5.527 1.00 0.00 N ATOM 0 H ASN A 81 0.044 2.637 2.745 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.557 2.828 4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.761 5.125 3.333 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.484 5.305 3.071 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.359 5.563 6.503 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.939 5.289 4.857 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.669 3.278 1.777 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.294 3.099 0.472 1.00 0.00 C ATOM 1331 C TRP A 82 -3.745 4.103 -0.537 1.00 0.00 C ATOM 1332 O TRP A 82 -3.838 5.313 -0.336 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.813 3.250 0.585 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.475 2.094 1.270 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -6.984 2.075 2.536 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.697 0.788 0.726 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.511 0.835 2.813 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.347 0.029 1.719 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.411 0.187 -0.503 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.714 -1.299 1.517 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.776 -1.131 -0.701 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.422 -1.862 0.305 1.00 0.00 C ATOM 0 H TRP A 82 -4.305 3.593 2.510 1.00 0.00 H new ATOM 0 HA TRP A 82 -4.061 2.094 0.121 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.040 4.165 1.131 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.235 3.362 -0.414 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -6.974 2.911 3.220 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.952 0.561 3.691 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.914 0.743 -1.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.212 -1.865 2.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.560 -1.606 -1.647 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.695 -2.890 0.120 1.00 0.00 H new ATOM 1353 N ALA A 83 -3.174 3.591 -1.622 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.612 4.443 -2.663 1.00 0.00 C ATOM 1355 C ALA A 83 -3.708 5.019 -3.552 1.00 0.00 C ATOM 1356 O ALA A 83 -4.359 4.292 -4.305 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.607 3.663 -3.499 1.00 0.00 C ATOM 0 H ALA A 83 -3.088 2.591 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.098 5.274 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.196 4.312 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.801 3.305 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.104 2.813 -3.966 1.00 0.00 H new