USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 664 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 17 THR OG1 : rot 82:sc= 0.763 USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= -0.856 (180deg=-1.18) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 25 TYR OH : rot -174:sc= 0.147 USER MOD Single : A 27 CYS SG : rot 80:sc= 0.254 USER MOD Single : A 29 CYS SG : rot 180:sc= 0.016 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -126:sc= -0.123 (180deg=-1.1) USER MOD Single : A 37 SER OG : rot -49:sc= 0.765 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -177:sc= -5.42! (180deg=-5.97!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1.3) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-7.9!) USER MOD Single : A 70 ASN : amide:sc= -0.0506 K(o=-0.051,f=-1.8!) USER MOD Single : A 71 TYR OH : rot 12:sc= -1.15! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.34) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 37:sc= 0.648 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 9.742 27.481 -5.352 1.00 0.00 N ATOM 133 CA VAL A 13 10.200 26.228 -4.762 1.00 0.00 C ATOM 134 C VAL A 13 9.417 25.898 -3.497 1.00 0.00 C ATOM 135 O VAL A 13 9.508 24.789 -2.971 1.00 0.00 O ATOM 136 CB VAL A 13 11.702 26.284 -4.424 1.00 0.00 C ATOM 137 CG1 VAL A 13 12.040 27.583 -3.710 1.00 0.00 C ATOM 138 CG2 VAL A 13 12.102 25.082 -3.582 1.00 0.00 C ATOM 0 HA VAL A 13 10.031 25.447 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 13 12.269 26.252 -5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.105 27.605 -3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.791 28.427 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.467 27.650 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.166 25.137 -3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.530 25.081 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.897 24.166 -4.136 1.00 0.00 H new ATOM 148 N GLU A 14 8.647 26.868 -3.013 1.00 0.00 N ATOM 149 CA GLU A 14 7.848 26.679 -1.808 1.00 0.00 C ATOM 150 C GLU A 14 6.556 25.932 -2.124 1.00 0.00 C ATOM 151 O GLU A 14 6.259 24.899 -1.522 1.00 0.00 O ATOM 152 CB GLU A 14 7.525 28.030 -1.167 1.00 0.00 C ATOM 153 CG GLU A 14 7.213 27.939 0.317 1.00 0.00 C ATOM 154 CD GLU A 14 8.462 27.920 1.177 1.00 0.00 C ATOM 155 OE1 GLU A 14 9.295 28.838 1.034 1.00 0.00 O ATOM 156 OE2 GLU A 14 8.606 26.984 1.992 1.00 0.00 O ATOM 0 H GLU A 14 8.560 27.792 -3.437 1.00 0.00 H new ATOM 0 HA GLU A 14 8.430 26.082 -1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.370 28.703 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.673 28.473 -1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.591 28.786 0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.632 27.037 0.507 1.00 0.00 H new ATOM 163 N ILE A 15 5.790 26.461 -3.072 1.00 0.00 N ATOM 164 CA ILE A 15 4.530 25.844 -3.469 1.00 0.00 C ATOM 165 C ILE A 15 4.722 24.372 -3.812 1.00 0.00 C ATOM 166 O ILE A 15 3.817 23.558 -3.629 1.00 0.00 O ATOM 167 CB ILE A 15 3.907 26.565 -4.679 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.407 26.272 -4.758 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.603 26.142 -5.964 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.706 27.011 -5.876 1.00 0.00 C ATOM 0 H ILE A 15 6.020 27.315 -3.580 1.00 0.00 H new ATOM 0 HA ILE A 15 3.855 25.930 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 15 4.042 27.639 -4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.261 25.200 -4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.942 26.539 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.151 26.660 -6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.661 26.397 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.496 25.066 -6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.646 26.756 -5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.821 28.085 -5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.145 26.725 -6.832 1.00 0.00 H new ATOM 182 N GLU A 16 5.909 24.035 -4.308 1.00 0.00 N ATOM 183 CA GLU A 16 6.220 22.659 -4.675 1.00 0.00 C ATOM 184 C GLU A 16 6.521 21.820 -3.437 1.00 0.00 C ATOM 185 O GLU A 16 6.059 20.685 -3.314 1.00 0.00 O ATOM 186 CB GLU A 16 7.413 22.621 -5.633 1.00 0.00 C ATOM 187 CG GLU A 16 7.410 23.745 -6.655 1.00 0.00 C ATOM 188 CD GLU A 16 8.034 23.335 -7.975 1.00 0.00 C ATOM 189 OE1 GLU A 16 9.267 23.140 -8.011 1.00 0.00 O ATOM 190 OE2 GLU A 16 7.290 23.211 -8.970 1.00 0.00 O ATOM 0 H GLU A 16 6.670 24.696 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 16 5.348 22.237 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.335 22.671 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.417 21.665 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.384 24.071 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.952 24.600 -6.251 1.00 0.00 H new ATOM 197 N THR A 17 7.299 22.387 -2.521 1.00 0.00 N ATOM 198 CA THR A 17 7.664 21.691 -1.292 1.00 0.00 C ATOM 199 C THR A 17 6.431 21.364 -0.458 1.00 0.00 C ATOM 200 O THR A 17 6.375 20.330 0.208 1.00 0.00 O ATOM 201 CB THR A 17 8.638 22.528 -0.441 1.00 0.00 C ATOM 202 OG1 THR A 17 9.905 22.627 -1.102 1.00 0.00 O ATOM 203 CG2 THR A 17 8.825 21.907 0.935 1.00 0.00 C ATOM 0 H THR A 17 7.689 23.326 -2.606 1.00 0.00 H new ATOM 0 HA THR A 17 8.155 20.764 -1.588 1.00 0.00 H new ATOM 0 HB THR A 17 8.214 23.525 -0.318 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.866 23.334 -1.780 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.517 22.515 1.518 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.864 21.860 1.447 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.229 20.900 0.828 1.00 0.00 H new ATOM 211 N LEU A 18 5.443 22.251 -0.499 1.00 0.00 N ATOM 212 CA LEU A 18 4.208 22.057 0.253 1.00 0.00 C ATOM 213 C LEU A 18 3.448 20.836 -0.255 1.00 0.00 C ATOM 214 O LEU A 18 2.957 20.026 0.533 1.00 0.00 O ATOM 215 CB LEU A 18 3.323 23.301 0.149 1.00 0.00 C ATOM 216 CG LEU A 18 3.667 24.449 1.100 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.822 25.673 0.784 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.469 24.021 2.546 1.00 0.00 C ATOM 0 H LEU A 18 5.473 23.112 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 18 4.470 21.891 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.374 23.675 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.290 23.004 0.328 1.00 0.00 H new ATOM 0 HG LEU A 18 4.716 24.710 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.080 26.480 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.013 25.993 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.766 25.425 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.718 24.850 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.429 23.733 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.117 23.173 2.766 1.00 0.00 H new ATOM 230 N ARG A 19 3.356 20.708 -1.575 1.00 0.00 N ATOM 231 CA ARG A 19 2.658 19.585 -2.187 1.00 0.00 C ATOM 232 C ARG A 19 3.319 18.263 -1.810 1.00 0.00 C ATOM 233 O ARG A 19 2.689 17.205 -1.855 1.00 0.00 O ATOM 234 CB ARG A 19 2.634 19.740 -3.709 1.00 0.00 C ATOM 235 CG ARG A 19 1.824 20.934 -4.187 1.00 0.00 C ATOM 236 CD ARG A 19 2.092 21.239 -5.652 1.00 0.00 C ATOM 237 NE ARG A 19 1.375 22.428 -6.104 1.00 0.00 N ATOM 238 CZ ARG A 19 1.433 22.893 -7.347 1.00 0.00 C ATOM 239 NH1 ARG A 19 2.172 22.272 -8.257 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.752 23.981 -7.682 1.00 0.00 N ATOM 0 H ARG A 19 3.757 21.369 -2.241 1.00 0.00 H new ATOM 0 HA ARG A 19 1.634 19.579 -1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.657 19.837 -4.072 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.223 18.832 -4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.762 20.735 -4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.069 21.807 -3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.162 21.382 -5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.796 20.384 -6.260 1.00 0.00 H new ATOM 0 HE ARG A 19 0.798 22.929 -5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.697 21.435 -8.003 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.215 22.631 -9.211 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.183 24.461 -6.985 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.797 24.337 -8.637 1.00 0.00 H new ATOM 254 N LYS A 20 4.593 18.328 -1.439 1.00 0.00 N ATOM 255 CA LYS A 20 5.341 17.137 -1.054 1.00 0.00 C ATOM 256 C LYS A 20 4.953 16.682 0.349 1.00 0.00 C ATOM 257 O LYS A 20 4.541 15.538 0.550 1.00 0.00 O ATOM 258 CB LYS A 20 6.845 17.413 -1.113 1.00 0.00 C ATOM 259 CG LYS A 20 7.379 17.574 -2.526 1.00 0.00 C ATOM 260 CD LYS A 20 7.846 16.246 -3.100 1.00 0.00 C ATOM 261 CE LYS A 20 9.315 15.995 -2.799 1.00 0.00 C ATOM 262 NZ LYS A 20 9.568 15.868 -1.338 1.00 0.00 N ATOM 0 H LYS A 20 5.130 19.194 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 20 5.096 16.341 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.062 18.318 -0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.375 16.596 -0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.602 17.994 -3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.207 18.282 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.245 15.437 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.688 16.239 -4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.639 15.085 -3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.913 16.813 -3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.534 15.516 -1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.461 16.798 -0.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.886 15.201 -0.924 1.00 0.00 H new ATOM 276 N THR A 21 5.084 17.583 1.317 1.00 0.00 N ATOM 277 CA THR A 21 4.747 17.274 2.701 1.00 0.00 C ATOM 278 C THR A 21 3.423 16.523 2.789 1.00 0.00 C ATOM 279 O THR A 21 3.304 15.536 3.516 1.00 0.00 O ATOM 280 CB THR A 21 4.658 18.551 3.557 1.00 0.00 C ATOM 281 OG1 THR A 21 5.731 19.438 3.225 1.00 0.00 O ATOM 282 CG2 THR A 21 4.710 18.214 5.039 1.00 0.00 C ATOM 0 H THR A 21 5.422 18.534 1.168 1.00 0.00 H new ATOM 0 HA THR A 21 5.547 16.642 3.088 1.00 0.00 H new ATOM 0 HB THR A 21 3.706 19.038 3.346 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.667 20.248 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.646 19.132 5.623 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.874 17.562 5.293 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.648 17.706 5.264 1.00 0.00 H new ATOM 290 N VAL A 22 2.429 16.996 2.044 1.00 0.00 N ATOM 291 CA VAL A 22 1.113 16.368 2.037 1.00 0.00 C ATOM 292 C VAL A 22 1.148 15.028 1.311 1.00 0.00 C ATOM 293 O VAL A 22 0.444 14.090 1.685 1.00 0.00 O ATOM 294 CB VAL A 22 0.062 17.274 1.368 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.332 16.690 1.538 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.132 18.682 1.940 1.00 0.00 C ATOM 0 H VAL A 22 2.510 17.812 1.437 1.00 0.00 H new ATOM 0 HA VAL A 22 0.833 16.207 3.078 1.00 0.00 H new ATOM 0 HB VAL A 22 0.280 17.328 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.061 17.344 1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.372 15.703 1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.564 16.604 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.617 19.309 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.060 18.649 3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.123 19.098 1.762 1.00 0.00 H new ATOM 306 N GLU A 23 1.972 14.945 0.271 1.00 0.00 N ATOM 307 CA GLU A 23 2.098 13.718 -0.508 1.00 0.00 C ATOM 308 C GLU A 23 2.634 12.579 0.354 1.00 0.00 C ATOM 309 O GLU A 23 2.200 11.434 0.229 1.00 0.00 O ATOM 310 CB GLU A 23 3.020 13.942 -1.708 1.00 0.00 C ATOM 311 CG GLU A 23 2.287 14.377 -2.966 1.00 0.00 C ATOM 312 CD GLU A 23 3.187 14.399 -4.187 1.00 0.00 C ATOM 313 OE1 GLU A 23 4.265 15.026 -4.119 1.00 0.00 O ATOM 314 OE2 GLU A 23 2.812 13.789 -5.210 1.00 0.00 O ATOM 0 H GLU A 23 2.562 15.712 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 23 1.106 13.443 -0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.761 14.698 -1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.564 13.020 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.451 13.701 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.866 15.370 -2.812 1.00 0.00 H new ATOM 321 N ASP A 24 3.581 12.902 1.228 1.00 0.00 N ATOM 322 CA ASP A 24 4.177 11.908 2.112 1.00 0.00 C ATOM 323 C ASP A 24 3.201 11.504 3.213 1.00 0.00 C ATOM 324 O ASP A 24 3.135 10.336 3.600 1.00 0.00 O ATOM 325 CB ASP A 24 5.467 12.450 2.729 1.00 0.00 C ATOM 326 CG ASP A 24 6.479 11.357 3.012 1.00 0.00 C ATOM 327 OD1 ASP A 24 6.475 10.343 2.283 1.00 0.00 O ATOM 328 OD2 ASP A 24 7.276 11.518 3.959 1.00 0.00 O ATOM 0 H ASP A 24 3.952 13.845 1.343 1.00 0.00 H new ATOM 0 HA ASP A 24 4.412 11.025 1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.908 13.184 2.054 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.231 12.971 3.657 1.00 0.00 H new ATOM 333 N TYR A 25 2.447 12.476 3.713 1.00 0.00 N ATOM 334 CA TYR A 25 1.477 12.222 4.771 1.00 0.00 C ATOM 335 C TYR A 25 0.456 11.176 4.336 1.00 0.00 C ATOM 336 O TYR A 25 0.330 10.120 4.955 1.00 0.00 O ATOM 337 CB TYR A 25 0.763 13.518 5.157 1.00 0.00 C ATOM 338 CG TYR A 25 0.212 13.510 6.566 1.00 0.00 C ATOM 339 CD1 TYR A 25 1.053 13.349 7.660 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.149 13.663 6.802 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.554 13.339 8.949 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.656 13.655 8.087 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.800 13.493 9.157 1.00 0.00 C ATOM 344 OH TYR A 25 -1.303 13.484 10.438 1.00 0.00 O ATOM 0 H TYR A 25 2.489 13.447 3.403 1.00 0.00 H new ATOM 0 HA TYR A 25 2.015 11.838 5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.458 14.351 5.053 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.054 13.695 4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.114 13.230 7.501 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.822 13.790 5.967 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.221 13.211 9.789 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.716 13.775 8.253 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.282 13.509 10.405 1.00 0.00 H new ATOM 354 N PHE A 26 -0.272 11.478 3.266 1.00 0.00 N ATOM 355 CA PHE A 26 -1.282 10.564 2.746 1.00 0.00 C ATOM 356 C PHE A 26 -0.756 9.133 2.713 1.00 0.00 C ATOM 357 O PHE A 26 -1.475 8.188 3.040 1.00 0.00 O ATOM 358 CB PHE A 26 -1.714 10.994 1.342 1.00 0.00 C ATOM 359 CG PHE A 26 -2.465 12.294 1.317 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.443 12.563 2.261 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.193 13.248 0.349 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.135 13.759 2.241 1.00 0.00 C ATOM 363 CE2 PHE A 26 -2.883 14.446 0.324 1.00 0.00 C ATOM 364 CZ PHE A 26 -3.856 14.700 1.271 1.00 0.00 C ATOM 0 H PHE A 26 -0.181 12.349 2.742 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.145 10.599 3.411 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.830 11.082 0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.340 10.214 0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.667 11.829 3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.434 13.053 -0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.893 13.957 2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.662 15.182 -0.435 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.398 15.634 1.252 1.00 0.00 H new ATOM 374 N CYS A 27 0.502 8.980 2.315 1.00 0.00 N ATOM 375 CA CYS A 27 1.125 7.663 2.238 1.00 0.00 C ATOM 376 C CYS A 27 1.234 7.032 3.620 1.00 0.00 C ATOM 377 O CYS A 27 1.009 5.832 3.786 1.00 0.00 O ATOM 378 CB CYS A 27 2.512 7.770 1.601 1.00 0.00 C ATOM 379 SG CYS A 27 2.498 8.371 -0.104 1.00 0.00 S ATOM 0 H CYS A 27 1.111 9.751 2.041 1.00 0.00 H new ATOM 0 HA CYS A 27 0.496 7.025 1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.127 8.437 2.205 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.988 6.790 1.625 1.00 0.00 H new ATOM 0 HG CYS A 27 2.374 9.665 -0.107 1.00 0.00 H new ATOM 385 N PHE A 28 1.583 7.845 4.612 1.00 0.00 N ATOM 386 CA PHE A 28 1.724 7.365 5.981 1.00 0.00 C ATOM 387 C PHE A 28 0.385 6.877 6.528 1.00 0.00 C ATOM 388 O PHE A 28 0.252 5.723 6.934 1.00 0.00 O ATOM 389 CB PHE A 28 2.280 8.474 6.878 1.00 0.00 C ATOM 390 CG PHE A 28 1.973 8.277 8.335 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.554 7.237 9.045 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.103 9.131 8.995 1.00 0.00 C ATOM 393 CE1 PHE A 28 2.272 7.054 10.386 1.00 0.00 C ATOM 394 CE2 PHE A 28 0.819 8.952 10.336 1.00 0.00 C ATOM 395 CZ PHE A 28 1.404 7.912 11.031 1.00 0.00 C ATOM 0 H PHE A 28 1.773 8.840 4.493 1.00 0.00 H new ATOM 0 HA PHE A 28 2.421 6.527 5.975 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.361 8.529 6.747 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.871 9.431 6.555 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.234 6.563 8.545 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.642 9.945 8.456 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.730 6.240 10.929 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.140 9.625 10.839 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.183 7.770 12.078 1.00 0.00 H new ATOM 405 N CYS A 29 -0.603 7.765 6.535 1.00 0.00 N ATOM 406 CA CYS A 29 -1.931 7.426 7.033 1.00 0.00 C ATOM 407 C CYS A 29 -2.466 6.175 6.345 1.00 0.00 C ATOM 408 O CYS A 29 -3.089 5.324 6.980 1.00 0.00 O ATOM 409 CB CYS A 29 -2.894 8.595 6.814 1.00 0.00 C ATOM 410 SG CYS A 29 -2.350 10.149 7.563 1.00 0.00 S ATOM 0 H CYS A 29 -0.510 8.724 6.202 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.852 7.225 8.101 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.026 8.747 5.743 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.870 8.330 7.221 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.228 11.077 7.322 1.00 0.00 H new ATOM 416 N TYR A 30 -2.222 6.072 5.044 1.00 0.00 N ATOM 417 CA TYR A 30 -2.683 4.926 4.269 1.00 0.00 C ATOM 418 C TYR A 30 -1.967 3.651 4.702 1.00 0.00 C ATOM 419 O TYR A 30 -2.588 2.716 5.206 1.00 0.00 O ATOM 420 CB TYR A 30 -2.457 5.169 2.775 1.00 0.00 C ATOM 421 CG TYR A 30 -2.887 4.013 1.901 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.107 3.379 2.104 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.073 3.553 0.874 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.504 2.322 1.309 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.462 2.498 0.072 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.678 1.885 0.294 1.00 0.00 C ATOM 427 OH TYR A 30 -4.069 0.832 -0.502 1.00 0.00 O ATOM 0 H TYR A 30 -1.708 6.768 4.504 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.750 4.802 4.453 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.003 6.063 2.474 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.399 5.369 2.604 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.756 3.719 2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.119 4.029 0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.455 1.840 1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.818 2.155 -0.724 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.374 0.651 -1.169 1.00 0.00 H new ATOM 437 N GLY A 31 -0.652 3.620 4.501 1.00 0.00 N ATOM 438 CA GLY A 31 0.128 2.456 4.876 1.00 0.00 C ATOM 439 C GLY A 31 0.050 2.159 6.361 1.00 0.00 C ATOM 440 O GLY A 31 0.265 1.024 6.787 1.00 0.00 O ATOM 0 H GLY A 31 -0.114 4.380 4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.226 1.590 4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.169 2.614 4.594 1.00 0.00 H new ATOM 444 N LYS A 32 -0.260 3.181 7.151 1.00 0.00 N ATOM 445 CA LYS A 32 -0.366 3.025 8.597 1.00 0.00 C ATOM 446 C LYS A 32 -1.619 2.238 8.968 1.00 0.00 C ATOM 447 O LYS A 32 -1.586 1.384 9.853 1.00 0.00 O ATOM 448 CB LYS A 32 -0.392 4.395 9.277 1.00 0.00 C ATOM 449 CG LYS A 32 -0.998 4.372 10.670 1.00 0.00 C ATOM 450 CD LYS A 32 -2.499 4.610 10.628 1.00 0.00 C ATOM 451 CE LYS A 32 -2.990 5.291 11.897 1.00 0.00 C ATOM 452 NZ LYS A 32 -2.960 6.775 11.777 1.00 0.00 N ATOM 0 H LYS A 32 -0.442 4.126 6.814 1.00 0.00 H new ATOM 0 HA LYS A 32 0.506 2.471 8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.626 4.780 9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.958 5.089 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.794 3.410 11.141 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.524 5.136 11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.747 5.226 9.764 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.016 3.659 10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.007 4.965 12.114 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.370 4.982 12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.302 7.202 12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.985 7.089 11.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.572 7.072 10.990 1.00 0.00 H new ATOM 466 N ALA A 33 -2.721 2.530 8.286 1.00 0.00 N ATOM 467 CA ALA A 33 -3.983 1.847 8.542 1.00 0.00 C ATOM 468 C ALA A 33 -3.934 0.404 8.052 1.00 0.00 C ATOM 469 O ALA A 33 -4.586 -0.476 8.615 1.00 0.00 O ATOM 470 CB ALA A 33 -5.131 2.593 7.879 1.00 0.00 C ATOM 0 H ALA A 33 -2.765 3.236 7.551 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.148 1.832 9.619 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.067 2.072 8.079 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.187 3.605 8.280 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.963 2.638 6.803 1.00 0.00 H new ATOM 476 N LEU A 34 -3.161 0.167 6.998 1.00 0.00 N ATOM 477 CA LEU A 34 -3.028 -1.171 6.432 1.00 0.00 C ATOM 478 C LEU A 34 -2.424 -2.135 7.447 1.00 0.00 C ATOM 479 O LEU A 34 -2.781 -3.311 7.490 1.00 0.00 O ATOM 480 CB LEU A 34 -2.160 -1.129 5.173 1.00 0.00 C ATOM 481 CG LEU A 34 -2.899 -0.890 3.855 1.00 0.00 C ATOM 482 CD1 LEU A 34 -1.920 -0.514 2.754 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.700 -2.123 3.462 1.00 0.00 C ATOM 0 H LEU A 34 -2.617 0.884 6.518 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.024 -1.527 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.415 -0.343 5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.619 -2.072 5.097 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.592 -0.060 3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.464 -0.348 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.391 0.398 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.202 -1.322 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.219 -1.935 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.026 -2.971 3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.429 -2.347 4.241 1.00 0.00 H new ATOM 495 N GLY A 35 -1.507 -1.628 8.265 1.00 0.00 N ATOM 496 CA GLY A 35 -0.869 -2.457 9.271 1.00 0.00 C ATOM 497 C GLY A 35 0.519 -2.904 8.859 1.00 0.00 C ATOM 498 O GLY A 35 1.009 -3.937 9.317 1.00 0.00 O ATOM 0 H GLY A 35 -1.194 -0.657 8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.806 -1.903 10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.488 -3.334 9.461 1.00 0.00 H new ATOM 502 N LYS A 36 1.157 -2.125 7.991 1.00 0.00 N ATOM 503 CA LYS A 36 2.498 -2.445 7.516 1.00 0.00 C ATOM 504 C LYS A 36 3.554 -1.703 8.329 1.00 0.00 C ATOM 505 O LYS A 36 3.229 -0.945 9.241 1.00 0.00 O ATOM 506 CB LYS A 36 2.634 -2.090 6.035 1.00 0.00 C ATOM 507 CG LYS A 36 1.467 -2.562 5.185 1.00 0.00 C ATOM 508 CD LYS A 36 1.924 -2.991 3.800 1.00 0.00 C ATOM 509 CE LYS A 36 2.172 -1.792 2.898 1.00 0.00 C ATOM 510 NZ LYS A 36 3.064 -2.133 1.755 1.00 0.00 N ATOM 0 H LYS A 36 0.766 -1.267 7.602 1.00 0.00 H new ATOM 0 HA LYS A 36 2.656 -3.516 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.730 -1.009 5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.554 -2.528 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.969 -3.396 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.733 -1.761 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.837 -3.580 3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.169 -3.636 3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.220 -1.421 2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.619 -0.986 3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.868 -1.473 1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.417 -3.105 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.531 -2.059 0.865 1.00 0.00 H new ATOM 524 N SER A 37 4.819 -1.926 7.988 1.00 0.00 N ATOM 525 CA SER A 37 5.924 -1.280 8.687 1.00 0.00 C ATOM 526 C SER A 37 6.622 -0.269 7.783 1.00 0.00 C ATOM 527 O SER A 37 7.771 0.105 8.021 1.00 0.00 O ATOM 528 CB SER A 37 6.929 -2.326 9.173 1.00 0.00 C ATOM 529 OG SER A 37 7.928 -1.734 9.986 1.00 0.00 O ATOM 0 H SER A 37 5.104 -2.549 7.232 1.00 0.00 H new ATOM 0 HA SER A 37 5.517 -0.750 9.548 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.409 -3.100 9.737 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.394 -2.813 8.316 1.00 0.00 H new ATOM 0 HG SER A 37 8.288 -0.941 9.537 1.00 0.00 H new ATOM 535 N THR A 38 5.919 0.171 6.744 1.00 0.00 N ATOM 536 CA THR A 38 6.470 1.137 5.803 1.00 0.00 C ATOM 537 C THR A 38 5.365 1.968 5.159 1.00 0.00 C ATOM 538 O THR A 38 4.200 1.571 5.150 1.00 0.00 O ATOM 539 CB THR A 38 7.285 0.442 4.696 1.00 0.00 C ATOM 540 OG1 THR A 38 6.456 -0.483 3.984 1.00 0.00 O ATOM 541 CG2 THR A 38 8.482 -0.290 5.284 1.00 0.00 C ATOM 0 H THR A 38 4.966 -0.127 6.533 1.00 0.00 H new ATOM 0 HA THR A 38 7.130 1.792 6.372 1.00 0.00 H new ATOM 0 HB THR A 38 7.648 1.206 4.009 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.981 -0.919 3.281 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.042 -0.773 4.483 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.126 0.422 5.800 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.136 -1.044 5.991 1.00 0.00 H new ATOM 549 N VAL A 39 5.739 3.124 4.619 1.00 0.00 N ATOM 550 CA VAL A 39 4.780 4.011 3.971 1.00 0.00 C ATOM 551 C VAL A 39 4.345 3.455 2.619 1.00 0.00 C ATOM 552 O VAL A 39 5.151 2.892 1.879 1.00 0.00 O ATOM 553 CB VAL A 39 5.367 5.421 3.769 1.00 0.00 C ATOM 554 CG1 VAL A 39 5.273 6.226 5.057 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.807 5.335 3.288 1.00 0.00 C ATOM 0 H VAL A 39 6.699 3.468 4.618 1.00 0.00 H new ATOM 0 HA VAL A 39 3.914 4.077 4.630 1.00 0.00 H new ATOM 0 HB VAL A 39 4.784 5.933 3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.692 7.219 4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.228 6.317 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.831 5.719 5.844 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.205 6.340 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.407 4.805 4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.843 4.798 2.340 1.00 0.00 H new ATOM 565 N VAL A 40 3.065 3.619 2.302 1.00 0.00 N ATOM 566 CA VAL A 40 2.522 3.137 1.038 1.00 0.00 C ATOM 567 C VAL A 40 1.940 4.281 0.217 1.00 0.00 C ATOM 568 O VAL A 40 1.278 5.178 0.738 1.00 0.00 O ATOM 569 CB VAL A 40 1.430 2.074 1.266 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.817 1.645 -0.060 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.998 0.878 2.011 1.00 0.00 C ATOM 0 H VAL A 40 2.384 4.082 2.904 1.00 0.00 H new ATOM 0 HA VAL A 40 3.349 2.686 0.490 1.00 0.00 H new ATOM 0 HB VAL A 40 0.642 2.513 1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.048 0.894 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.371 2.510 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.592 1.224 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.213 0.138 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.805 0.436 1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.384 1.201 2.978 1.00 0.00 H new ATOM 581 N PRO A 41 2.189 4.251 -1.100 1.00 0.00 N ATOM 582 CA PRO A 41 1.698 5.279 -2.024 1.00 0.00 C ATOM 583 C PRO A 41 0.186 5.214 -2.210 1.00 0.00 C ATOM 584 O PRO A 41 -0.358 4.184 -2.606 1.00 0.00 O ATOM 585 CB PRO A 41 2.412 4.948 -3.336 1.00 0.00 C ATOM 586 CG PRO A 41 2.716 3.493 -3.246 1.00 0.00 C ATOM 587 CD PRO A 41 2.971 3.212 -1.791 1.00 0.00 C ATOM 0 HA PRO A 41 1.898 6.286 -1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.780 5.168 -4.197 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.323 5.536 -3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.883 2.897 -3.618 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.586 3.238 -3.851 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.643 2.211 -1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.032 3.280 -1.549 1.00 0.00 H new ATOM 595 N VAL A 42 -0.489 6.323 -1.921 1.00 0.00 N ATOM 596 CA VAL A 42 -1.939 6.393 -2.059 1.00 0.00 C ATOM 597 C VAL A 42 -2.356 6.322 -3.523 1.00 0.00 C ATOM 598 O VAL A 42 -2.029 7.193 -4.331 1.00 0.00 O ATOM 599 CB VAL A 42 -2.500 7.687 -1.439 1.00 0.00 C ATOM 600 CG1 VAL A 42 -3.961 7.871 -1.817 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.329 7.670 0.073 1.00 0.00 C ATOM 0 H VAL A 42 -0.055 7.185 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.349 5.536 -1.526 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.939 8.533 -1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.340 8.790 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.051 7.931 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.541 7.024 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.731 8.591 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.864 6.817 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.270 7.590 0.319 1.00 0.00 H new ATOM 611 N PRO A 43 -3.097 5.262 -3.877 1.00 0.00 N ATOM 612 CA PRO A 43 -3.577 5.052 -5.246 1.00 0.00 C ATOM 613 C PRO A 43 -4.650 6.059 -5.645 1.00 0.00 C ATOM 614 O PRO A 43 -5.843 5.753 -5.619 1.00 0.00 O ATOM 615 CB PRO A 43 -4.160 3.637 -5.205 1.00 0.00 C ATOM 616 CG PRO A 43 -4.535 3.423 -3.779 1.00 0.00 C ATOM 617 CD PRO A 43 -3.525 4.187 -2.966 1.00 0.00 C ATOM 0 HA PRO A 43 -2.782 5.179 -5.980 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.027 3.547 -5.860 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.431 2.898 -5.538 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.545 3.782 -3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.518 2.363 -3.526 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.964 4.586 -2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.688 3.555 -2.668 1.00 0.00 H new ATOM 625 N TYR A 44 -4.220 7.260 -6.015 1.00 0.00 N ATOM 626 CA TYR A 44 -5.146 8.312 -6.417 1.00 0.00 C ATOM 627 C TYR A 44 -6.044 7.841 -7.557 1.00 0.00 C ATOM 628 O TYR A 44 -7.232 7.591 -7.361 1.00 0.00 O ATOM 629 CB TYR A 44 -4.374 9.562 -6.845 1.00 0.00 C ATOM 630 CG TYR A 44 -3.447 10.096 -5.776 1.00 0.00 C ATOM 631 CD1 TYR A 44 -2.176 9.561 -5.602 1.00 0.00 C ATOM 632 CD2 TYR A 44 -3.841 11.133 -4.940 1.00 0.00 C ATOM 633 CE1 TYR A 44 -1.325 10.046 -4.626 1.00 0.00 C ATOM 634 CE2 TYR A 44 -2.997 11.624 -3.963 1.00 0.00 C ATOM 635 CZ TYR A 44 -1.740 11.078 -3.811 1.00 0.00 C ATOM 636 OH TYR A 44 -0.897 11.563 -2.838 1.00 0.00 O ATOM 0 H TYR A 44 -3.237 7.529 -6.045 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.774 8.555 -5.560 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.792 9.332 -7.737 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.085 10.341 -7.120 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.848 8.753 -6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.825 11.563 -5.056 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.341 9.619 -4.503 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.320 12.431 -3.322 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.341 12.289 -2.353 1.00 0.00 H new ATOM 646 N GLU A 45 -5.465 7.723 -8.748 1.00 0.00 N ATOM 647 CA GLU A 45 -6.213 7.283 -9.920 1.00 0.00 C ATOM 648 C GLU A 45 -7.364 6.365 -9.517 1.00 0.00 C ATOM 649 O GLU A 45 -8.523 6.625 -9.840 1.00 0.00 O ATOM 650 CB GLU A 45 -5.288 6.558 -10.900 1.00 0.00 C ATOM 651 CG GLU A 45 -6.020 5.919 -12.068 1.00 0.00 C ATOM 652 CD GLU A 45 -5.125 5.012 -12.891 1.00 0.00 C ATOM 653 OE1 GLU A 45 -3.948 5.373 -13.102 1.00 0.00 O ATOM 654 OE2 GLU A 45 -5.601 3.941 -13.324 1.00 0.00 O ATOM 0 H GLU A 45 -4.481 7.926 -8.927 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.628 8.165 -10.407 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.554 7.266 -11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.736 5.787 -10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.866 5.344 -11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.427 6.701 -12.709 1.00 0.00 H new ATOM 661 N LYS A 46 -7.035 5.289 -8.810 1.00 0.00 N ATOM 662 CA LYS A 46 -8.039 4.331 -8.361 1.00 0.00 C ATOM 663 C LYS A 46 -9.058 5.001 -7.445 1.00 0.00 C ATOM 664 O LYS A 46 -10.265 4.838 -7.621 1.00 0.00 O ATOM 665 CB LYS A 46 -7.371 3.165 -7.631 1.00 0.00 C ATOM 666 CG LYS A 46 -6.516 2.292 -8.534 1.00 0.00 C ATOM 667 CD LYS A 46 -5.138 2.894 -8.749 1.00 0.00 C ATOM 668 CE LYS A 46 -4.157 1.863 -9.288 1.00 0.00 C ATOM 669 NZ LYS A 46 -4.204 1.777 -10.773 1.00 0.00 N ATOM 0 H LYS A 46 -6.080 5.058 -8.535 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.560 3.950 -9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.750 3.559 -6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.141 2.549 -7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.416 1.300 -8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.013 2.165 -9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.209 3.729 -9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.764 3.296 -7.807 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.147 2.122 -8.971 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.385 0.887 -8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.522 1.064 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.161 1.505 -11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.962 2.702 -11.182 1.00 0.00 H new ATOM 683 N MET A 47 -8.565 5.755 -6.469 1.00 0.00 N ATOM 684 CA MET A 47 -9.435 6.451 -5.528 1.00 0.00 C ATOM 685 C MET A 47 -10.367 7.414 -6.258 1.00 0.00 C ATOM 686 O MET A 47 -11.589 7.322 -6.137 1.00 0.00 O ATOM 687 CB MET A 47 -8.599 7.215 -4.498 1.00 0.00 C ATOM 688 CG MET A 47 -8.019 6.329 -3.408 1.00 0.00 C ATOM 689 SD MET A 47 -7.160 7.269 -2.132 1.00 0.00 S ATOM 690 CE MET A 47 -8.536 7.784 -1.106 1.00 0.00 C ATOM 0 H MET A 47 -7.568 5.900 -6.309 1.00 0.00 H new ATOM 0 HA MET A 47 -10.042 5.706 -5.014 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.784 7.726 -5.011 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.219 7.984 -4.038 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.822 5.751 -2.950 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.327 5.615 -3.855 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.171 8.421 -0.301 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.253 8.339 -1.711 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.022 6.906 -0.681 1.00 0.00 H new ATOM 700 N LEU A 48 -9.783 8.335 -7.016 1.00 0.00 N ATOM 701 CA LEU A 48 -10.562 9.314 -7.766 1.00 0.00 C ATOM 702 C LEU A 48 -11.751 8.653 -8.453 1.00 0.00 C ATOM 703 O LEU A 48 -12.874 9.155 -8.391 1.00 0.00 O ATOM 704 CB LEU A 48 -9.679 10.009 -8.804 1.00 0.00 C ATOM 705 CG LEU A 48 -8.271 10.384 -8.346 1.00 0.00 C ATOM 706 CD1 LEU A 48 -7.584 11.257 -9.386 1.00 0.00 C ATOM 707 CD2 LEU A 48 -8.319 11.093 -7.001 1.00 0.00 C ATOM 0 H LEU A 48 -8.773 8.425 -7.128 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.940 10.057 -7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.595 9.358 -9.674 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.186 10.916 -9.133 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.692 9.468 -8.232 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.582 11.514 -9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.515 10.714 -10.329 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.162 12.170 -9.534 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.307 11.353 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.916 12.001 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.769 10.434 -6.258 1.00 0.00 H new ATOM 719 N ARG A 49 -11.498 7.524 -9.107 1.00 0.00 N ATOM 720 CA ARG A 49 -12.549 6.793 -9.805 1.00 0.00 C ATOM 721 C ARG A 49 -13.404 5.998 -8.822 1.00 0.00 C ATOM 722 O ARG A 49 -14.597 5.793 -9.045 1.00 0.00 O ATOM 723 CB ARG A 49 -11.940 5.851 -10.846 1.00 0.00 C ATOM 724 CG ARG A 49 -11.767 4.425 -10.349 1.00 0.00 C ATOM 725 CD ARG A 49 -10.575 3.748 -11.007 1.00 0.00 C ATOM 726 NE ARG A 49 -10.930 3.133 -12.284 1.00 0.00 N ATOM 727 CZ ARG A 49 -10.045 2.834 -13.226 1.00 0.00 C ATOM 728 NH1 ARG A 49 -8.757 3.090 -13.038 1.00 0.00 N ATOM 729 NH2 ARG A 49 -10.445 2.276 -14.362 1.00 0.00 N ATOM 0 H ARG A 49 -10.574 7.096 -9.168 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.187 7.518 -10.310 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.574 5.844 -11.732 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.969 6.240 -11.152 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.633 4.429 -9.267 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.672 3.854 -10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.784 4.481 -11.165 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.175 2.987 -10.337 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.912 2.922 -12.461 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.444 3.518 -12.167 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.080 2.859 -13.765 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.434 2.077 -14.512 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.763 2.047 -15.085 1.00 0.00 H new ATOM 743 N ASP A 50 -12.784 5.552 -7.735 1.00 0.00 N ATOM 744 CA ASP A 50 -13.487 4.779 -6.716 1.00 0.00 C ATOM 745 C ASP A 50 -13.134 5.275 -5.318 1.00 0.00 C ATOM 746 O ASP A 50 -12.126 4.867 -4.741 1.00 0.00 O ATOM 747 CB ASP A 50 -13.145 3.293 -6.846 1.00 0.00 C ATOM 748 CG ASP A 50 -13.441 2.750 -8.230 1.00 0.00 C ATOM 749 OD1 ASP A 50 -14.353 3.285 -8.896 1.00 0.00 O ATOM 750 OD2 ASP A 50 -12.761 1.791 -8.649 1.00 0.00 O ATOM 0 H ASP A 50 -11.796 5.712 -7.536 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.558 4.912 -6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.089 3.145 -6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.712 2.727 -6.108 1.00 0.00 H new ATOM 755 N GLN A 51 -13.970 6.157 -4.780 1.00 0.00 N ATOM 756 CA GLN A 51 -13.744 6.709 -3.449 1.00 0.00 C ATOM 757 C GLN A 51 -14.462 5.882 -2.388 1.00 0.00 C ATOM 758 O GLN A 51 -15.207 6.418 -1.569 1.00 0.00 O ATOM 759 CB GLN A 51 -14.221 8.161 -3.389 1.00 0.00 C ATOM 760 CG GLN A 51 -13.792 8.993 -4.588 1.00 0.00 C ATOM 761 CD GLN A 51 -14.294 10.421 -4.518 1.00 0.00 C ATOM 762 OE1 GLN A 51 -15.252 10.719 -3.804 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.648 11.314 -5.259 1.00 0.00 N ATOM 0 H GLN A 51 -14.809 6.504 -5.244 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.674 6.676 -3.246 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.309 8.175 -3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.837 8.624 -2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.704 8.997 -4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.163 8.526 -5.501 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.859 11.023 -5.836 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.941 12.291 -5.251 1.00 0.00 H new ATOM 772 N SER A 52 -14.230 4.573 -2.409 1.00 0.00 N ATOM 773 CA SER A 52 -14.858 3.671 -1.451 1.00 0.00 C ATOM 774 C SER A 52 -13.821 2.758 -0.804 1.00 0.00 C ATOM 775 O SER A 52 -13.891 2.471 0.391 1.00 0.00 O ATOM 776 CB SER A 52 -15.935 2.830 -2.139 1.00 0.00 C ATOM 777 OG SER A 52 -15.435 2.230 -3.322 1.00 0.00 O ATOM 0 H SER A 52 -13.612 4.114 -3.078 1.00 0.00 H new ATOM 0 HA SER A 52 -15.322 4.275 -0.672 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.288 2.057 -1.457 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.792 3.458 -2.380 1.00 0.00 H new ATOM 0 HG SER A 52 -16.142 1.697 -3.742 1.00 0.00 H new ATOM 783 N ALA A 53 -12.860 2.308 -1.602 1.00 0.00 N ATOM 784 CA ALA A 53 -11.806 1.429 -1.108 1.00 0.00 C ATOM 785 C ALA A 53 -11.121 2.028 0.116 1.00 0.00 C ATOM 786 O ALA A 53 -10.729 1.309 1.035 1.00 0.00 O ATOM 787 CB ALA A 53 -10.788 1.158 -2.205 1.00 0.00 C ATOM 0 H ALA A 53 -12.788 2.537 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.263 0.485 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.007 0.501 -1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.283 0.680 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.344 2.099 -2.529 1.00 0.00 H new ATOM 793 N VAL A 54 -10.979 3.349 0.122 1.00 0.00 N ATOM 794 CA VAL A 54 -10.341 4.046 1.233 1.00 0.00 C ATOM 795 C VAL A 54 -10.922 5.445 1.411 1.00 0.00 C ATOM 796 O VAL A 54 -10.912 6.255 0.485 1.00 0.00 O ATOM 797 CB VAL A 54 -8.820 4.156 1.026 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.155 4.756 2.256 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.225 2.794 0.701 1.00 0.00 C ATOM 0 H VAL A 54 -11.297 3.959 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.537 3.458 2.130 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.634 4.819 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.080 4.826 2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.559 5.752 2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.349 4.121 3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.149 2.892 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.421 2.106 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.679 2.407 -0.212 1.00 0.00 H new ATOM 809 N VAL A 55 -11.428 5.721 2.609 1.00 0.00 N ATOM 810 CA VAL A 55 -12.012 7.022 2.910 1.00 0.00 C ATOM 811 C VAL A 55 -10.996 7.936 3.587 1.00 0.00 C ATOM 812 O VAL A 55 -10.048 7.470 4.217 1.00 0.00 O ATOM 813 CB VAL A 55 -13.248 6.885 3.820 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.927 8.233 4.004 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.219 5.863 3.248 1.00 0.00 C ATOM 0 H VAL A 55 -11.445 5.061 3.386 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.316 7.461 1.960 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.921 6.534 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.798 8.117 4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.228 8.933 4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.243 8.617 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.086 5.779 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.542 6.183 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.725 4.894 3.173 1.00 0.00 H new ATOM 825 N VAL A 56 -11.203 9.243 3.450 1.00 0.00 N ATOM 826 CA VAL A 56 -10.306 10.225 4.049 1.00 0.00 C ATOM 827 C VAL A 56 -11.076 11.216 4.915 1.00 0.00 C ATOM 828 O VAL A 56 -11.978 11.902 4.436 1.00 0.00 O ATOM 829 CB VAL A 56 -9.523 10.999 2.972 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.442 11.857 3.611 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.923 10.040 1.956 1.00 0.00 C ATOM 0 H VAL A 56 -11.983 9.645 2.930 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.602 9.674 4.673 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.215 11.659 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.899 12.396 2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.901 12.570 4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.750 11.220 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.374 10.605 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.244 9.353 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.721 9.474 1.475 1.00 0.00 H new ATOM 841 N GLN A 57 -10.713 11.284 6.191 1.00 0.00 N ATOM 842 CA GLN A 57 -11.369 12.193 7.124 1.00 0.00 C ATOM 843 C GLN A 57 -10.423 13.306 7.560 1.00 0.00 C ATOM 844 O GLN A 57 -9.219 13.244 7.309 1.00 0.00 O ATOM 845 CB GLN A 57 -11.870 11.424 8.349 1.00 0.00 C ATOM 846 CG GLN A 57 -13.076 10.544 8.063 1.00 0.00 C ATOM 847 CD GLN A 57 -13.701 9.983 9.327 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.475 10.494 10.424 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.491 8.927 9.178 1.00 0.00 N ATOM 0 H GLN A 57 -9.969 10.721 6.603 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.219 12.645 6.613 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.061 10.803 8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.127 12.135 9.134 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.822 11.122 7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.775 9.721 7.414 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.650 8.536 8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.939 8.506 9.992 1.00 0.00 H new ATOM 858 N GLY A 58 -10.973 14.324 8.212 1.00 0.00 N ATOM 859 CA GLY A 58 -10.163 15.436 8.671 1.00 0.00 C ATOM 860 C GLY A 58 -10.017 16.520 7.620 1.00 0.00 C ATOM 861 O GLY A 58 -9.293 17.496 7.821 1.00 0.00 O ATOM 0 H GLY A 58 -11.966 14.399 8.431 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.612 15.862 9.568 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.175 15.071 8.951 1.00 0.00 H new ATOM 865 N LEU A 59 -10.703 16.346 6.496 1.00 0.00 N ATOM 866 CA LEU A 59 -10.643 17.317 5.408 1.00 0.00 C ATOM 867 C LEU A 59 -11.531 18.521 5.703 1.00 0.00 C ATOM 868 O LEU A 59 -12.467 18.453 6.500 1.00 0.00 O ATOM 869 CB LEU A 59 -11.073 16.663 4.093 1.00 0.00 C ATOM 870 CG LEU A 59 -10.011 15.824 3.382 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.440 15.517 1.955 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.668 16.541 3.394 1.00 0.00 C ATOM 0 H LEU A 59 -11.306 15.544 6.314 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.613 17.662 5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.936 16.028 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.404 17.447 3.412 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.902 14.881 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.672 14.919 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.378 14.962 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.578 16.450 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.924 15.929 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.762 17.499 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.354 16.709 4.424 1.00 0.00 H new ATOM 884 N PRO A 60 -11.233 19.652 5.045 1.00 0.00 N ATOM 885 CA PRO A 60 -11.994 20.893 5.220 1.00 0.00 C ATOM 886 C PRO A 60 -13.394 20.801 4.627 1.00 0.00 C ATOM 887 O PRO A 60 -13.878 19.713 4.318 1.00 0.00 O ATOM 888 CB PRO A 60 -11.159 21.929 4.464 1.00 0.00 C ATOM 889 CG PRO A 60 -10.405 21.140 3.448 1.00 0.00 C ATOM 890 CD PRO A 60 -10.130 19.805 4.081 1.00 0.00 C ATOM 0 HA PRO A 60 -12.147 21.134 6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.793 22.680 3.992 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.483 22.459 5.135 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.986 21.026 2.533 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.476 21.641 3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.127 19.003 3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.159 19.787 4.575 1.00 0.00 H new ATOM 898 N GLU A 61 -14.042 21.952 4.470 1.00 0.00 N ATOM 899 CA GLU A 61 -15.389 22.001 3.915 1.00 0.00 C ATOM 900 C GLU A 61 -15.352 22.351 2.429 1.00 0.00 C ATOM 901 O GLU A 61 -14.389 22.942 1.944 1.00 0.00 O ATOM 902 CB GLU A 61 -16.241 23.022 4.671 1.00 0.00 C ATOM 903 CG GLU A 61 -17.723 22.690 4.682 1.00 0.00 C ATOM 904 CD GLU A 61 -18.514 23.578 5.622 1.00 0.00 C ATOM 905 OE1 GLU A 61 -18.514 23.303 6.840 1.00 0.00 O ATOM 906 OE2 GLU A 61 -19.131 24.551 5.140 1.00 0.00 O ATOM 0 H GLU A 61 -13.655 22.862 4.720 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.837 21.014 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.885 23.089 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -16.101 24.004 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -18.121 22.791 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.856 21.648 4.975 1.00 0.00 H new ATOM 913 N GLY A 62 -16.411 21.983 1.714 1.00 0.00 N ATOM 914 CA GLY A 62 -16.480 22.265 0.292 1.00 0.00 C ATOM 915 C GLY A 62 -15.286 21.720 -0.466 1.00 0.00 C ATOM 916 O GLY A 62 -15.019 22.131 -1.596 1.00 0.00 O ATOM 0 H GLY A 62 -17.222 21.495 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.394 21.834 -0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.541 23.343 0.141 1.00 0.00 H new ATOM 920 N VAL A 63 -14.567 20.792 0.154 1.00 0.00 N ATOM 921 CA VAL A 63 -13.394 20.188 -0.468 1.00 0.00 C ATOM 922 C VAL A 63 -13.674 18.750 -0.887 1.00 0.00 C ATOM 923 O VAL A 63 -14.687 18.166 -0.503 1.00 0.00 O ATOM 924 CB VAL A 63 -12.181 20.209 0.480 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.387 19.239 1.633 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.905 19.883 -0.281 1.00 0.00 C ATOM 0 H VAL A 63 -14.776 20.441 1.089 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.163 20.783 -1.352 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.083 21.212 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.519 19.268 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.278 19.523 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.512 18.229 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.058 19.902 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.990 18.891 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.752 20.621 -1.068 1.00 0.00 H new ATOM 936 N ALA A 64 -12.768 18.183 -1.679 1.00 0.00 N ATOM 937 CA ALA A 64 -12.916 16.811 -2.148 1.00 0.00 C ATOM 938 C ALA A 64 -11.560 16.125 -2.275 1.00 0.00 C ATOM 939 O ALA A 64 -10.729 16.519 -3.093 1.00 0.00 O ATOM 940 CB ALA A 64 -13.650 16.785 -3.480 1.00 0.00 C ATOM 0 H ALA A 64 -11.925 18.653 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.503 16.263 -1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.753 15.754 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.638 17.228 -3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.085 17.354 -4.218 1.00 0.00 H new ATOM 946 N PHE A 65 -11.342 15.098 -1.461 1.00 0.00 N ATOM 947 CA PHE A 65 -10.085 14.359 -1.481 1.00 0.00 C ATOM 948 C PHE A 65 -9.530 14.270 -2.900 1.00 0.00 C ATOM 949 O PHE A 65 -10.211 13.815 -3.819 1.00 0.00 O ATOM 950 CB PHE A 65 -10.286 12.953 -0.911 1.00 0.00 C ATOM 951 CG PHE A 65 -9.114 12.042 -1.135 1.00 0.00 C ATOM 952 CD1 PHE A 65 -8.039 12.046 -0.262 1.00 0.00 C ATOM 953 CD2 PHE A 65 -9.087 11.181 -2.220 1.00 0.00 C ATOM 954 CE1 PHE A 65 -6.958 11.209 -0.466 1.00 0.00 C ATOM 955 CE2 PHE A 65 -8.009 10.341 -2.430 1.00 0.00 C ATOM 956 CZ PHE A 65 -6.944 10.355 -1.551 1.00 0.00 C ATOM 0 H PHE A 65 -12.020 14.758 -0.779 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.367 14.895 -0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.478 13.028 0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.173 12.509 -1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.045 12.711 0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.918 11.166 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.126 11.223 0.222 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.000 9.675 -3.280 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.101 9.699 -1.712 1.00 0.00 H new ATOM 966 N LYS A 66 -8.288 14.709 -3.071 1.00 0.00 N ATOM 967 CA LYS A 66 -7.638 14.680 -4.375 1.00 0.00 C ATOM 968 C LYS A 66 -6.150 14.989 -4.250 1.00 0.00 C ATOM 969 O LYS A 66 -5.670 15.352 -3.176 1.00 0.00 O ATOM 970 CB LYS A 66 -8.301 15.684 -5.322 1.00 0.00 C ATOM 971 CG LYS A 66 -8.094 17.133 -4.912 1.00 0.00 C ATOM 972 CD LYS A 66 -8.666 18.091 -5.943 1.00 0.00 C ATOM 973 CE LYS A 66 -10.147 18.342 -5.709 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.618 19.574 -6.401 1.00 0.00 N ATOM 0 H LYS A 66 -7.711 15.090 -2.321 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.749 13.676 -4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.905 15.539 -6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.370 15.477 -5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.568 17.310 -3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.029 17.327 -4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.125 19.036 -5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.519 17.682 -6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.721 17.485 -6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.335 18.432 -4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.632 19.710 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.089 20.396 -6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.462 19.478 -7.425 1.00 0.00 H new ATOM 988 N HIS A 67 -5.425 14.845 -5.355 1.00 0.00 N ATOM 989 CA HIS A 67 -3.990 15.111 -5.368 1.00 0.00 C ATOM 990 C HIS A 67 -3.670 16.399 -4.613 1.00 0.00 C ATOM 991 O HIS A 67 -4.393 17.392 -4.696 1.00 0.00 O ATOM 992 CB HIS A 67 -3.482 15.210 -6.806 1.00 0.00 C ATOM 993 CG HIS A 67 -2.059 14.770 -6.970 1.00 0.00 C ATOM 994 ND1 HIS A 67 -0.987 15.628 -6.841 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.535 13.555 -7.252 1.00 0.00 C ATOM 996 CE1 HIS A 67 0.135 14.960 -7.038 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.170 13.699 -7.290 1.00 0.00 N ATOM 0 H HIS A 67 -5.807 14.546 -6.252 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.487 14.283 -4.869 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.118 14.603 -7.450 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.576 16.241 -7.146 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.088 12.642 -7.417 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.132 15.374 -7.000 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.500 12.954 -7.482 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.561 16.383 -3.858 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.121 17.540 -3.075 1.00 0.00 C ATOM 1007 C PRO A 68 -1.623 18.681 -3.955 1.00 0.00 C ATOM 1008 O PRO A 68 -1.172 19.711 -3.455 1.00 0.00 O ATOM 1009 CB PRO A 68 -0.976 16.979 -2.228 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.461 15.818 -3.006 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.653 15.233 -3.713 1.00 0.00 C ATOM 0 HA PRO A 68 -2.934 17.968 -2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.198 17.726 -2.070 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.327 16.671 -1.243 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.300 16.133 -3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.003 15.082 -2.349 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.380 14.812 -4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.110 14.431 -3.134 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.708 18.490 -5.268 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.264 19.504 -6.218 1.00 0.00 C ATOM 1021 C GLU A 69 -2.450 20.296 -6.760 1.00 0.00 C ATOM 1022 O GLU A 69 -2.282 21.378 -7.321 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.501 18.854 -7.373 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.402 18.275 -8.451 1.00 0.00 C ATOM 1025 CD GLU A 69 -0.622 17.649 -9.591 1.00 0.00 C ATOM 1026 OE1 GLU A 69 0.419 17.016 -9.318 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -1.053 17.794 -10.754 1.00 0.00 O ATOM 0 H GLU A 69 -2.080 17.643 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.599 20.190 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.159 19.595 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.133 18.061 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.056 17.524 -8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.044 19.063 -8.845 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.649 19.748 -6.588 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.863 20.402 -7.061 1.00 0.00 C ATOM 1036 C ASN A 70 -5.416 21.353 -6.003 1.00 0.00 C ATOM 1037 O ASN A 70 -6.315 22.149 -6.278 1.00 0.00 O ATOM 1038 CB ASN A 70 -5.921 19.358 -7.428 1.00 0.00 C ATOM 1039 CG ASN A 70 -5.669 18.735 -8.787 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -4.880 19.245 -9.581 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -6.342 17.623 -9.061 1.00 0.00 N ATOM 0 H ASN A 70 -3.805 18.853 -6.125 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.611 20.981 -7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.934 18.576 -6.669 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.906 19.825 -7.422 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.214 17.158 -9.960 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.987 17.234 -8.373 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.873 21.264 -4.795 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.313 22.115 -3.695 1.00 0.00 C ATOM 1050 C TYR A 71 -4.559 23.441 -3.697 1.00 0.00 C ATOM 1051 O TYR A 71 -3.340 23.475 -3.530 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.108 21.401 -2.358 1.00 0.00 C ATOM 1053 CG TYR A 71 -5.985 20.182 -2.181 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.330 20.213 -2.528 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.469 18.999 -1.668 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.135 19.103 -2.368 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.267 17.882 -1.506 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.599 17.940 -1.856 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.398 16.830 -1.697 1.00 0.00 O ATOM 0 H TYR A 71 -4.128 20.612 -4.552 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.375 22.322 -3.831 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.063 21.102 -2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.307 22.102 -1.547 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.753 21.122 -2.930 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.426 18.951 -1.391 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.179 19.145 -2.642 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.849 16.969 -1.108 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.247 16.968 -2.166 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.294 24.532 -3.887 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.697 25.862 -3.909 1.00 0.00 C ATOM 1071 C ASP A 72 -3.676 26.018 -2.785 1.00 0.00 C ATOM 1072 O ASP A 72 -3.864 25.497 -1.684 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.782 26.933 -3.782 1.00 0.00 C ATOM 1074 CG ASP A 72 -7.064 26.544 -4.491 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -6.982 25.879 -5.544 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -8.150 26.906 -3.991 1.00 0.00 O ATOM 0 H ASP A 72 -6.304 24.521 -4.028 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.183 25.988 -4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.993 27.110 -2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.412 27.872 -4.195 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.596 26.737 -3.071 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.545 26.962 -2.084 1.00 0.00 C ATOM 1083 C LEU A 73 -2.138 27.200 -0.700 1.00 0.00 C ATOM 1084 O LEU A 73 -1.631 26.694 0.300 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.681 28.155 -2.495 1.00 0.00 C ATOM 1086 CG LEU A 73 0.414 28.561 -1.508 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.128 27.332 -0.966 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.407 29.506 -2.172 1.00 0.00 C ATOM 0 H LEU A 73 -2.425 27.174 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.923 26.068 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.213 27.927 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.334 29.013 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.053 29.083 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.904 27.641 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.411 26.691 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.582 26.782 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.179 29.785 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.867 29.009 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.886 30.402 -2.511 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.217 27.975 -0.650 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.882 28.277 0.612 1.00 0.00 C ATOM 1102 C ALA A 74 -4.431 27.011 1.260 1.00 0.00 C ATOM 1103 O ALA A 74 -4.185 26.748 2.438 1.00 0.00 O ATOM 1104 CB ALA A 74 -5.000 29.285 0.390 1.00 0.00 C ATOM 0 H ALA A 74 -3.649 28.405 -1.468 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.145 28.710 1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.488 29.502 1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.584 30.204 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.729 28.872 -0.307 1.00 0.00 H new ATOM 1110 N THR A 75 -5.175 26.229 0.485 1.00 0.00 N ATOM 1111 CA THR A 75 -5.761 24.992 0.985 1.00 0.00 C ATOM 1112 C THR A 75 -4.685 24.047 1.508 1.00 0.00 C ATOM 1113 O THR A 75 -4.818 23.478 2.593 1.00 0.00 O ATOM 1114 CB THR A 75 -6.572 24.271 -0.109 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.489 25.186 -0.721 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.337 23.092 0.473 1.00 0.00 C ATOM 0 H THR A 75 -5.386 26.431 -0.492 1.00 0.00 H new ATOM 0 HA THR A 75 -6.429 25.267 1.801 1.00 0.00 H new ATOM 0 HB THR A 75 -5.876 23.897 -0.860 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.000 24.721 -1.416 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.902 22.599 -0.318 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.635 22.384 0.913 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.023 23.447 1.242 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.619 23.885 0.733 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.518 23.010 1.119 1.00 0.00 C ATOM 1126 C LEU A 76 -2.102 23.262 2.565 1.00 0.00 C ATOM 1127 O LEU A 76 -2.026 22.336 3.372 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.322 23.220 0.188 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.384 22.496 -1.157 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.312 23.024 -2.098 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.233 20.994 -0.963 1.00 0.00 C ATOM 0 H LEU A 76 -3.493 24.348 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.860 21.979 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.218 24.288 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.420 22.899 0.710 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.359 22.688 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.372 22.497 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.466 24.090 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.671 22.864 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.280 20.496 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.273 20.783 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.038 20.627 -0.327 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.833 24.524 2.885 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.429 24.901 4.234 1.00 0.00 C ATOM 1145 C LYS A 77 -2.391 24.331 5.271 1.00 0.00 C ATOM 1146 O LYS A 77 -1.968 23.770 6.282 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.368 26.425 4.363 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.303 27.068 3.491 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.541 28.559 3.328 1.00 0.00 C ATOM 1150 CE LYS A 77 0.715 29.275 2.853 1.00 0.00 C ATOM 1151 NZ LYS A 77 0.685 30.726 3.187 1.00 0.00 N ATOM 0 H LYS A 77 -1.888 25.302 2.228 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.438 24.486 4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.340 26.842 4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.179 26.686 5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.679 26.902 3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.297 26.590 2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.347 28.724 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.865 28.983 4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.591 28.815 3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.817 29.152 1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.558 31.179 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.136 31.171 2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.613 30.844 4.218 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.686 24.477 5.013 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.708 23.975 5.924 1.00 0.00 C ATOM 1167 C TRP A 78 -4.499 22.492 6.212 1.00 0.00 C ATOM 1168 O TRP A 78 -4.288 22.097 7.359 1.00 0.00 O ATOM 1169 CB TRP A 78 -6.101 24.202 5.336 1.00 0.00 C ATOM 1170 CG TRP A 78 -7.208 23.944 6.313 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.857 24.869 7.080 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.794 22.676 6.629 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.811 24.253 7.854 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.793 22.909 7.595 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.573 21.369 6.189 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.566 21.880 8.126 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.342 20.350 6.717 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.329 20.609 7.677 1.00 0.00 C ATOM 0 H TRP A 78 -4.053 24.939 4.181 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.624 24.524 6.862 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.174 25.229 4.979 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.232 23.553 4.470 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.651 25.929 7.079 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.432 24.721 8.514 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.815 21.159 5.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.327 22.078 8.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.179 19.336 6.384 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.914 19.790 8.070 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.559 21.676 5.165 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.375 20.237 5.307 1.00 0.00 C ATOM 1191 C ILE A 79 -3.246 19.921 6.281 1.00 0.00 C ATOM 1192 O ILE A 79 -3.416 19.128 7.210 1.00 0.00 O ATOM 1193 CB ILE A 79 -4.069 19.573 3.951 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.275 19.692 3.017 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.689 18.113 4.150 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -5.020 19.147 1.629 1.00 0.00 C ATOM 0 H ILE A 79 -4.734 21.987 4.209 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.311 19.836 5.697 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.225 20.089 3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.119 19.162 3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.563 20.741 2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.476 17.657 3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.804 18.050 4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.514 17.584 4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.917 19.264 1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.197 19.693 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.762 18.090 1.695 1.00 0.00 H new ATOM 1208 N LEU A 80 -2.094 20.547 6.067 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.935 20.334 6.928 1.00 0.00 C ATOM 1210 C LEU A 80 -1.228 20.785 8.355 1.00 0.00 C ATOM 1211 O LEU A 80 -0.761 20.176 9.316 1.00 0.00 O ATOM 1212 CB LEU A 80 0.278 21.088 6.380 1.00 0.00 C ATOM 1213 CG LEU A 80 1.022 20.415 5.226 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.066 21.355 4.645 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.668 19.119 5.692 1.00 0.00 C ATOM 0 H LEU A 80 -1.937 21.206 5.305 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.714 19.267 6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.051 22.073 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.982 21.246 7.197 1.00 0.00 H new ATOM 0 HG LEU A 80 0.302 20.177 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.586 20.859 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.578 22.256 4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.784 21.625 5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.193 18.654 4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.376 19.333 6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.898 18.441 6.060 1.00 0.00 H new ATOM 1227 N GLU A 81 -2.005 21.856 8.484 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.361 22.388 9.795 1.00 0.00 C ATOM 1229 C GLU A 81 -3.217 21.392 10.572 1.00 0.00 C ATOM 1230 O GLU A 81 -2.885 21.013 11.693 1.00 0.00 O ATOM 1231 CB GLU A 81 -3.108 23.714 9.646 1.00 0.00 C ATOM 1232 CG GLU A 81 -2.205 24.933 9.723 1.00 0.00 C ATOM 1233 CD GLU A 81 -1.255 24.883 10.905 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -1.678 24.418 11.985 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -0.092 25.309 10.751 1.00 0.00 O ATOM 0 H GLU A 81 -2.400 22.372 7.698 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.440 22.560 10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.632 23.721 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.866 23.784 10.426 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.628 25.012 8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.819 25.831 9.793 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.323 20.973 9.964 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.230 20.023 10.600 1.00 0.00 C ATOM 1244 C ASN A 82 -4.968 18.605 10.101 1.00 0.00 C ATOM 1245 O ASN A 82 -5.897 17.827 9.886 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.685 20.411 10.323 1.00 0.00 C ATOM 1247 CG ASN A 82 -7.046 21.758 10.919 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.977 21.866 11.718 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.309 22.793 10.534 1.00 0.00 N ATOM 0 H ASN A 82 -4.612 21.276 9.034 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.051 20.051 11.675 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.853 20.436 9.246 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.346 19.647 10.731 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.505 23.724 10.903 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.547 22.657 9.870 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.693 18.275 9.919 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.306 16.950 9.448 1.00 0.00 C ATOM 1258 C LYS A 83 -3.368 15.930 10.580 1.00 0.00 C ATOM 1259 O LYS A 83 -3.992 14.878 10.447 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.894 16.988 8.859 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.818 17.318 9.878 1.00 0.00 C ATOM 1262 CD LYS A 83 0.531 17.536 9.214 1.00 0.00 C ATOM 1263 CE LYS A 83 1.218 16.217 8.900 1.00 0.00 C ATOM 1264 NZ LYS A 83 2.516 16.421 8.199 1.00 0.00 N ATOM 0 H LYS A 83 -2.911 18.907 10.091 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.009 16.648 8.672 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.671 16.021 8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.863 17.727 8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.101 18.214 10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.741 16.507 10.603 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.397 18.105 8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.167 18.132 9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.388 15.667 9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.563 15.605 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.953 15.498 8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.352 16.924 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.151 16.984 8.801 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.717 16.250 11.695 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.702 15.363 12.851 1.00 0.00 C ATOM 1280 C ALA A 84 -4.042 14.656 13.019 1.00 0.00 C ATOM 1281 O ALA A 84 -4.102 13.520 13.490 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.355 16.144 14.110 1.00 0.00 C ATOM 0 H ALA A 84 -2.194 17.116 11.821 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.938 14.603 12.684 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.347 15.469 14.966 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.371 16.598 13.997 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.098 16.925 14.270 1.00 0.00 H new ATOM 1288 N GLY A 85 -5.118 15.335 12.631 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.443 14.756 12.747 1.00 0.00 C ATOM 1290 C GLY A 85 -6.802 13.886 11.558 1.00 0.00 C ATOM 1291 O GLY A 85 -7.452 12.851 11.711 1.00 0.00 O ATOM 0 H GLY A 85 -5.095 16.276 12.238 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.497 14.161 13.658 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.178 15.555 12.844 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.382 14.308 10.370 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.663 13.561 9.151 1.00 0.00 C ATOM 1297 C ILE A 86 -6.450 12.066 9.360 1.00 0.00 C ATOM 1298 O ILE A 86 -5.341 11.623 9.664 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.780 14.037 7.983 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.344 15.324 7.378 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.674 12.950 6.923 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.500 15.885 6.256 1.00 0.00 C ATOM 0 H ILE A 86 -5.846 15.164 10.226 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.708 13.744 8.903 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.781 14.246 8.365 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.349 15.130 7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.436 16.075 8.163 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.047 13.301 6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.231 12.056 7.362 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.668 12.714 6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.960 16.797 5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.502 16.111 6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.429 15.152 5.453 1.00 0.00 H new ATOM 1314 N SER A 87 -7.517 11.292 9.195 1.00 0.00 N ATOM 1315 CA SER A 87 -7.446 9.845 9.367 1.00 0.00 C ATOM 1316 C SER A 87 -7.809 9.125 8.072 1.00 0.00 C ATOM 1317 O SER A 87 -8.446 9.698 7.187 1.00 0.00 O ATOM 1318 CB SER A 87 -8.383 9.398 10.492 1.00 0.00 C ATOM 1319 OG SER A 87 -8.090 10.079 11.699 1.00 0.00 O ATOM 0 H SER A 87 -8.441 11.642 8.942 1.00 0.00 H new ATOM 0 HA SER A 87 -6.421 9.585 9.631 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.417 9.588 10.205 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.287 8.323 10.644 1.00 0.00 H new ATOM 0 HG SER A 87 -7.832 11.003 11.499 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.399 7.865 7.968 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.679 7.066 6.781 1.00 0.00 C ATOM 1327 C PHE A 88 -8.355 5.751 7.158 1.00 0.00 C ATOM 1328 O PHE A 88 -7.845 4.994 7.984 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.386 6.786 6.012 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.077 7.817 4.964 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.846 9.137 5.318 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.018 7.467 3.625 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.561 10.088 4.357 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -5.733 8.414 2.660 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.505 9.726 3.026 1.00 0.00 C ATOM 0 H PHE A 88 -6.872 7.376 8.691 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.357 7.633 6.143 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.557 6.737 6.717 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.460 5.808 5.537 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.889 9.426 6.358 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.197 6.443 3.332 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.382 11.113 4.647 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.689 8.128 1.619 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.283 10.467 2.272 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.504 5.487 6.547 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.249 4.263 6.818 1.00 0.00 C ATOM 1347 C ILE A 89 -10.251 3.340 5.603 1.00 0.00 C ATOM 1348 O ILE A 89 -10.858 3.650 4.577 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.704 4.568 7.219 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.742 5.643 8.306 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.399 3.300 7.696 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -11.889 7.048 7.763 1.00 0.00 C ATOM 0 H ILE A 89 -9.940 6.103 5.861 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.748 3.765 7.648 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.235 4.944 6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.571 5.435 8.982 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.827 5.584 8.896 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.427 3.532 7.976 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.399 2.562 6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.870 2.898 8.560 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -11.909 7.758 8.590 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.047 7.276 7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.818 7.124 7.197 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.571 2.206 5.728 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.497 1.237 4.642 1.00 0.00 C ATOM 1366 C ILE A 90 -10.741 0.357 4.605 1.00 0.00 C ATOM 1367 O ILE A 90 -10.979 -0.440 5.514 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.250 0.341 4.771 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.229 0.691 3.687 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.642 -1.126 4.685 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.229 1.741 4.115 1.00 0.00 C ATOM 0 H ILE A 90 -9.063 1.935 6.570 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.431 1.806 3.715 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.792 0.518 5.744 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.693 -0.213 3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.758 1.044 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.751 -1.747 4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.336 -1.365 5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.120 -1.319 3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.537 1.939 3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.755 2.660 4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.674 1.383 4.982 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.531 0.502 3.548 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.751 -0.281 3.389 1.00 0.00 C ATOM 1385 C LYS A 91 -12.486 -1.540 2.570 1.00 0.00 C ATOM 1386 O LYS A 91 -13.162 -2.555 2.737 1.00 0.00 O ATOM 1387 CB LYS A 91 -13.837 0.558 2.715 1.00 0.00 C ATOM 1388 CG LYS A 91 -14.001 1.941 3.322 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.072 1.954 4.400 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.513 3.371 4.733 1.00 0.00 C ATOM 1391 NZ LYS A 91 -16.855 3.399 5.375 1.00 0.00 N ATOM 0 H LYS A 91 -11.348 1.156 2.787 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.093 -0.578 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.600 0.661 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.787 0.027 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.052 2.268 3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.262 2.654 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.932 1.373 4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.690 1.470 5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.783 3.831 5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.534 3.968 3.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.119 4.383 5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.557 2.983 4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.829 2.851 6.258 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.495 -1.469 1.686 1.00 0.00 N ATOM 1406 CA ARG A 92 -11.141 -2.603 0.842 1.00 0.00 C ATOM 1407 C ARG A 92 -9.957 -2.261 -0.058 1.00 0.00 C ATOM 1408 O ARG A 92 -9.941 -1.239 -0.744 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.339 -3.025 -0.012 1.00 0.00 C ATOM 1410 CG ARG A 92 -11.958 -3.860 -1.223 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.420 -2.993 -2.351 1.00 0.00 C ATOM 1412 NE ARG A 92 -11.787 -3.515 -3.665 1.00 0.00 N ATOM 1413 CZ ARG A 92 -11.372 -4.687 -4.131 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -10.581 -5.455 -3.395 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -11.748 -5.093 -5.337 1.00 0.00 N ATOM 0 H ARG A 92 -10.924 -0.637 1.536 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.856 -3.432 1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.034 -3.593 0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.868 -2.133 -0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.206 -4.595 -0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.829 -4.414 -1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.804 -1.979 -2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.334 -2.932 -2.275 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.395 -2.949 -4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.289 -5.146 -2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.264 -6.355 -3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.356 -4.505 -5.907 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.429 -5.993 -5.694 1.00 0.00 H new ATOM 1429 N PRO A 93 -8.940 -3.136 -0.055 1.00 0.00 N ATOM 1430 CA PRO A 93 -7.733 -2.950 -0.865 1.00 0.00 C ATOM 1431 C PRO A 93 -8.003 -3.118 -2.357 1.00 0.00 C ATOM 1432 O PRO A 93 -8.564 -4.128 -2.786 1.00 0.00 O ATOM 1433 CB PRO A 93 -6.795 -4.051 -0.365 1.00 0.00 C ATOM 1434 CG PRO A 93 -7.701 -5.103 0.176 1.00 0.00 C ATOM 1435 CD PRO A 93 -8.891 -4.376 0.738 1.00 0.00 C ATOM 0 HA PRO A 93 -7.325 -1.944 -0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.175 -4.440 -1.173 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.119 -3.677 0.404 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.003 -5.798 -0.607 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.202 -5.689 0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.806 -4.959 0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.770 -4.168 1.801 1.00 0.00 H new